NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
608981 | 5kph | 30129 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -23.150 -4.095 0.379 2 H2 MET 1 2H MET 1 -24.532 -4.071 1.353 3 H3 MET 1 3H MET 1 -23.181 -4.978 1.819 4 HA MET 1 HA MET 1 -23.299 -2.038 1.567 5 HB2 MET 1 2HB MET 1 -24.562 -2.826 3.514 6 HB3 MET 1 3HB MET 1 -23.225 -3.845 4.022 7 HG2 MET 1 2HG MET 1 -21.873 -1.847 4.494 8 HG3 MET 1 3HG MET 1 -23.193 -0.813 3.941 9 HE1 MET 1 1HE MET 1 -25.497 -0.495 5.253 10 HE2 MET 1 2HE MET 1 -25.934 -1.413 6.693 11 HE3 MET 1 3HE MET 1 -25.808 -2.228 5.134 12 HA PRO 2 HA PRO 2 -18.761 -2.822 1.017 13 HB2 PRO 2 2HB PRO 2 -18.173 -0.057 0.870 14 HB3 PRO 2 3HB PRO 2 -18.512 -1.113 -0.513 15 HG2 PRO 2 2HG PRO 2 -20.347 0.769 0.907 16 HG3 PRO 2 3HG PRO 2 -20.256 0.383 -0.827 17 HD2 PRO 2 2HD PRO 2 -22.201 -0.629 0.745 18 HD3 PRO 2 3HD PRO 2 -21.518 -1.574 -0.593 19 H SER 3 H SER 3 -18.476 -3.627 3.061 20 HA SER 3 HA SER 3 -18.753 -2.134 5.489 21 HB2 SER 3 2HB SER 3 -17.410 -4.826 4.965 22 HB3 SER 3 3HB SER 3 -17.834 -4.188 6.559 23 HG SER 3 HG SER 3 -19.794 -4.448 4.546 24 H GLU 4 H GLU 4 -17.310 -0.783 6.312 25 HA GLU 4 HA GLU 4 -15.002 0.081 5.089 26 HB2 GLU 4 2HB GLU 4 -16.225 1.414 6.762 27 HB3 GLU 4 3HB GLU 4 -15.709 0.321 8.042 28 HG2 GLU 4 2HG GLU 4 -14.423 2.458 7.991 29 HG3 GLU 4 3HG GLU 4 -13.390 1.040 7.790 30 H GLU 5 H GLU 5 -15.362 -2.328 7.584 31 HA GLU 5 HA GLU 5 -12.692 -2.738 8.332 32 HB2 GLU 5 2HB GLU 5 -14.910 -4.851 8.291 33 HB3 GLU 5 3HB GLU 5 -13.433 -4.906 9.244 34 HG2 GLU 5 2HG GLU 5 -15.169 -4.326 10.759 35 HG3 GLU 5 3HG GLU 5 -14.256 -2.849 10.478 36 H GLU 6 H GLU 6 -14.670 -4.151 5.791 37 HA GLU 6 HA GLU 6 -12.736 -6.009 4.796 38 HB2 GLU 6 2HB GLU 6 -15.242 -6.269 4.588 39 HB3 GLU 6 3HB GLU 6 -15.239 -4.954 3.419 40 HG2 GLU 6 2HG GLU 6 -13.820 -6.288 1.902 41 HG3 GLU 6 3HG GLU 6 -13.776 -7.596 3.085 42 H GLU 7 H GLU 7 -13.494 -2.643 4.190 43 HA GLU 7 HA GLU 7 -12.243 -2.377 1.669 44 HB2 GLU 7 2HB GLU 7 -12.548 -0.212 3.781 45 HB3 GLU 7 3HB GLU 7 -12.243 0.036 2.064 46 HG2 GLU 7 2HG GLU 7 -14.765 -0.949 3.402 47 HG3 GLU 7 3HG GLU 7 -14.554 0.494 2.417 48 H LYS 8 H LYS 8 -10.930 -2.104 5.012 49 HA LYS 8 HA LYS 8 -8.298 -1.345 4.322 50 HB2 LYS 8 2HB LYS 8 -9.118 -3.151 6.643 51 HB3 LYS 8 3HB LYS 8 -7.504 -2.502 6.416 52 HG2 LYS 8 2HG LYS 8 -8.385 -1.092 8.041 53 HG3 LYS 8 3HG LYS 8 -8.652 -0.159 6.565 54 HD2 LYS 8 2HD LYS 8 -10.968 -0.722 6.521 55 HD3 LYS 8 3HD LYS 8 -10.773 -1.976 7.744 56 HE2 LYS 8 2HE LYS 8 -11.865 -0.097 8.760 57 HE3 LYS 8 3HE LYS 8 -10.226 -0.165 9.405 58 HZ1 LYS 8 1HZ LYS 8 -9.601 1.604 7.877 59 HZ2 LYS 8 2HZ LYS 8 -10.884 2.093 8.863 60 HZ3 LYS 8 3HZ LYS 8 -11.173 1.660 7.253 61 H ARG 9 H ARG 9 -9.806 -4.560 4.588 62 HA ARG 9 HA ARG 9 -7.632 -6.251 4.162 63 HB2 ARG 9 2HB ARG 9 -10.540 -6.624 3.320 64 HB3 ARG 9 3HB ARG 9 -9.339 -7.913 3.302 65 HG2 ARG 9 2HG ARG 9 -9.117 -7.853 5.695 66 HG3 ARG 9 3HG ARG 9 -10.106 -6.395 5.815 67 HD2 ARG 9 2HD ARG 9 -11.349 -8.426 6.480 68 HD3 ARG 9 3HD ARG 9 -12.076 -7.631 5.084 69 HE ARG 9 HE ARG 9 -10.243 -9.807 4.478 70 HH11 ARG 9 1HH1 ARG 9 -13.620 -8.918 5.002 71 HH12 ARG 9 2HH1 ARG 9 -14.239 -10.316 4.185 72 HH21 ARG 9 1HH2 ARG 9 -11.081 -11.646 3.418 73 HH22 ARG 9 2HH2 ARG 9 -12.799 -11.859 3.287 74 H GLN 10 H GLN 10 -9.733 -4.654 1.801 75 HA GLN 10 HA GLN 10 -8.628 -5.838 -0.548 76 HB2 GLN 10 2HB GLN 10 -10.274 -3.290 -0.227 77 HB3 GLN 10 3HB GLN 10 -9.939 -4.095 -1.762 78 HG2 GLN 10 2HG GLN 10 -11.169 -6.081 -1.001 79 HG3 GLN 10 3HG GLN 10 -11.500 -5.297 0.546 80 HE21 GLN 10 1HE2 GLN 10 -12.999 -3.582 0.596 81 HE22 GLN 10 2HE2 GLN 10 -14.106 -3.288 -0.690 82 H VAL 11 H VAL 11 -8.214 -2.632 0.974 83 HA VAL 11 HA VAL 11 -6.615 -1.486 -1.067 84 HB VAL 11 HB VAL 11 -6.985 -0.661 1.853 85 HG11 VAL 11 1HG1 VAL 11 -5.800 0.966 -0.425 86 HG12 VAL 11 2HG1 VAL 11 -4.922 0.366 0.981 87 HG13 VAL 11 3HG1 VAL 11 -6.180 1.587 1.185 88 HG21 VAL 11 1HG2 VAL 11 -8.290 0.406 -0.670 89 HG22 VAL 11 2HG2 VAL 11 -8.615 0.934 0.980 90 HG23 VAL 11 3HG2 VAL 11 -9.050 -0.694 0.478 91 H LYS 12 H LYS 12 -5.733 -2.953 2.064 92 HA LYS 12 HA LYS 12 -2.938 -2.419 1.903 93 HB2 LYS 12 2HB LYS 12 -4.396 -4.543 3.528 94 HB3 LYS 12 3HB LYS 12 -2.725 -4.035 3.775 95 HG2 LYS 12 2HG LYS 12 -3.490 -1.775 4.398 96 HG3 LYS 12 3HG LYS 12 -5.168 -2.261 4.128 97 HD2 LYS 12 2HD LYS 12 -3.279 -3.404 6.228 98 HD3 LYS 12 3HD LYS 12 -4.629 -2.311 6.530 99 HE2 LYS 12 2HE LYS 12 -6.206 -4.058 5.749 100 HE3 LYS 12 3HE LYS 12 -4.849 -5.146 5.452 101 HZ1 LYS 12 1HZ LYS 12 -4.318 -5.021 7.820 102 HZ2 LYS 12 2HZ LYS 12 -5.862 -5.646 7.555 103 HZ3 LYS 12 3HZ LYS 12 -5.674 -4.053 8.088 104 H GLN 13 H GLN 13 -4.998 -5.070 0.813 105 HA GLN 13 HA GLN 13 -2.919 -6.889 0.081 106 HB2 GLN 13 2HB GLN 13 -5.234 -7.670 0.392 107 HB3 GLN 13 3HB GLN 13 -5.792 -6.653 -0.930 108 HG2 GLN 13 2HG GLN 13 -4.424 -8.002 -2.512 109 HG3 GLN 13 3HG GLN 13 -3.924 -9.033 -1.175 110 HE21 GLN 13 1HE2 GLN 13 -7.211 -7.763 -1.572 111 HE22 GLN 13 2HE2 GLN 13 -7.938 -9.289 -1.913 112 H VAL 14 H VAL 14 -4.809 -4.472 -1.780 113 HA VAL 14 HA VAL 14 -3.565 -4.769 -4.285 114 HB VAL 14 HB VAL 14 -4.823 -2.284 -3.009 115 HG11 VAL 14 1HG1 VAL 14 -5.023 -1.348 -5.299 116 HG12 VAL 14 2HG1 VAL 14 -4.087 -2.704 -5.931 117 HG13 VAL 14 3HG1 VAL 14 -3.332 -1.554 -4.825 118 HG21 VAL 14 1HG2 VAL 14 -6.805 -2.850 -4.395 119 HG22 VAL 14 2HG2 VAL 14 -6.395 -4.162 -3.288 120 HG23 VAL 14 3HG2 VAL 14 -5.968 -4.288 -4.994 121 H ALA 15 H ALA 15 -2.767 -2.784 -1.492 122 HA ALA 15 HA ALA 15 -0.681 -1.225 -2.522 123 HB1 ALA 15 1HB ALA 15 -0.188 -0.707 -0.171 124 HB2 ALA 15 2HB ALA 15 -1.173 -2.077 0.355 125 HB3 ALA 15 3HB ALA 15 -1.931 -0.702 -0.450 126 H LYS 16 H LYS 16 -0.580 -4.296 -0.668 127 HA LYS 16 HA LYS 16 2.255 -4.467 -0.604 128 HB2 LYS 16 2HB LYS 16 1.986 -6.704 0.294 129 HB3 LYS 16 3HB LYS 16 0.821 -5.633 1.051 130 HG2 LYS 16 2HG LYS 16 -0.992 -6.582 -0.180 131 HG3 LYS 16 3HG LYS 16 0.091 -7.453 -1.256 132 HD2 LYS 16 2HD LYS 16 -0.198 -8.021 1.723 133 HD3 LYS 16 3HD LYS 16 -1.017 -8.916 0.438 134 HE2 LYS 16 2HE LYS 16 1.263 -9.473 -0.517 135 HE3 LYS 16 3HE LYS 16 1.978 -8.756 0.930 136 HZ1 LYS 16 1HZ LYS 16 0.825 -10.378 2.266 137 HZ2 LYS 16 2HZ LYS 16 1.769 -11.155 1.109 138 HZ3 LYS 16 3HZ LYS 16 0.095 -11.058 0.903 139 H GLU 17 H GLU 17 -0.225 -5.851 -2.773 140 HA GLU 17 HA GLU 17 1.503 -7.554 -4.211 141 HB2 GLU 17 2HB GLU 17 -1.140 -6.314 -5.080 142 HB3 GLU 17 3HB GLU 17 -0.274 -7.536 -6.006 143 HG2 GLU 17 2HG GLU 17 -1.555 -7.852 -3.287 144 HG3 GLU 17 3HG GLU 17 -2.035 -8.621 -4.795 145 H LYS 18 H LYS 18 0.657 -4.141 -4.625 146 HA LYS 18 HA LYS 18 1.883 -3.713 -7.136 147 HB2 LYS 18 2HB LYS 18 1.352 -1.788 -4.831 148 HB3 LYS 18 3HB LYS 18 1.968 -1.270 -6.396 149 HG2 LYS 18 2HG LYS 18 -0.708 -2.578 -5.862 150 HG3 LYS 18 3HG LYS 18 -0.433 -0.885 -6.271 151 HD2 LYS 18 2HD LYS 18 0.223 -1.443 -8.516 152 HD3 LYS 18 3HD LYS 18 0.376 -3.155 -8.125 153 HE2 LYS 18 2HE LYS 18 -2.129 -3.170 -7.703 154 HE3 LYS 18 3HE LYS 18 -2.176 -1.546 -8.402 155 HZ1 LYS 18 1HZ LYS 18 -1.302 -2.397 -10.445 156 HZ2 LYS 18 2HZ LYS 18 -2.639 -3.332 -10.016 157 HZ3 LYS 18 3HZ LYS 18 -1.076 -3.935 -9.782 158 H LEU 19 H LEU 19 3.134 -3.502 -3.815 159 HA LEU 19 HA LEU 19 5.783 -2.685 -4.523 160 HB2 LEU 19 2HB LEU 19 4.814 -4.099 -2.012 161 HB3 LEU 19 3HB LEU 19 6.361 -3.280 -2.193 162 HG LEU 19 HG LEU 19 3.606 -1.998 -2.164 163 HD11 LEU 19 1HD1 LEU 19 4.423 -2.589 0.039 164 HD12 LEU 19 2HD1 LEU 19 4.414 -0.841 -0.166 165 HD13 LEU 19 3HD1 LEU 19 5.938 -1.731 -0.255 166 HD21 LEU 19 1HD2 LEU 19 4.745 0.167 -2.398 167 HD22 LEU 19 2HD2 LEU 19 4.937 -0.843 -3.826 168 HD23 LEU 19 3HD2 LEU 19 6.276 -0.667 -2.686 169 H LEU 20 H LEU 20 4.195 -5.791 -4.250 170 HA LEU 20 HA LEU 20 6.565 -7.419 -4.491 171 HB2 LEU 20 2HB LEU 20 3.612 -8.066 -4.841 172 HB3 LEU 20 3HB LEU 20 4.892 -9.271 -4.847 173 HG LEU 20 HG LEU 20 4.227 -7.486 -2.471 174 HD11 LEU 20 1HD1 LEU 20 2.375 -8.999 -2.896 175 HD12 LEU 20 2HD1 LEU 20 3.232 -9.465 -1.430 176 HD13 LEU 20 3HD1 LEU 20 3.473 -10.384 -2.920 177 HD21 LEU 20 1HD2 LEU 20 6.070 -9.885 -2.650 178 HD22 LEU 20 2HD2 LEU 20 5.660 -8.994 -1.181 179 HD23 LEU 20 3HD2 LEU 20 6.560 -8.198 -2.467 180 H GLU 21 H GLU 21 4.349 -5.833 -6.704 181 HA GLU 21 HA GLU 21 5.194 -7.170 -9.106 182 HB2 GLU 21 2HB GLU 21 3.742 -4.534 -8.638 183 HB3 GLU 21 3HB GLU 21 4.164 -5.097 -10.253 184 HG2 GLU 21 2HG GLU 21 2.761 -7.084 -9.954 185 HG3 GLU 21 3HG GLU 21 2.383 -6.589 -8.305 186 H GLN 22 H GLN 22 6.129 -4.238 -7.357 187 HA GLN 22 HA GLN 22 8.096 -3.343 -9.236 188 HB2 GLN 22 2HB GLN 22 7.656 -2.631 -6.304 189 HB3 GLN 22 3HB GLN 22 8.819 -1.824 -7.355 190 HG2 GLN 22 2HG GLN 22 6.965 -1.095 -8.824 191 HG3 GLN 22 3HG GLN 22 5.810 -1.858 -7.735 192 HE21 GLN 22 1HE2 GLN 22 7.225 -1.028 -5.292 193 HE22 GLN 22 2HE2 GLN 22 6.954 0.667 -5.138 194 H SER 23 H SER 23 8.136 -5.531 -6.479 195 HA SER 23 HA SER 23 10.869 -6.329 -7.067 196 HB2 SER 23 2HB SER 23 11.079 -4.346 -5.506 197 HB3 SER 23 3HB SER 23 10.206 -5.269 -4.285 198 HG SER 23 HG SER 23 11.880 -6.639 -4.102 199 HA PRO 24 HA PRO 24 8.135 -9.919 -5.822 200 HB2 PRO 24 2HB PRO 24 9.317 -11.731 -7.552 201 HB3 PRO 24 3HB PRO 24 8.037 -10.599 -8.045 202 HG2 PRO 24 2HG PRO 24 11.017 -10.312 -8.377 203 HG3 PRO 24 3HG PRO 24 9.720 -10.034 -9.565 204 HD2 PRO 24 2HD PRO 24 10.841 -7.971 -8.254 205 HD3 PRO 24 3HD PRO 24 9.102 -7.980 -8.626 206 H ASN 25 H ASN 25 11.598 -9.483 -5.716 207 HA ASN 25 HA ASN 25 12.183 -11.961 -4.307 208 HB2 ASN 25 2HB ASN 25 13.875 -10.812 -5.762 209 HB3 ASN 25 3HB ASN 25 13.919 -9.467 -4.631 210 HD21 ASN 25 1HD2 ASN 25 13.807 -12.934 -3.807 211 HD22 ASN 25 2HD2 ASN 25 15.359 -12.971 -3.053 212 H SER 26 H SER 26 10.951 -8.902 -3.439 213 HA SER 26 HA SER 26 11.895 -8.918 -0.669 214 HB2 SER 26 2HB SER 26 10.088 -6.971 -2.156 215 HB3 SER 26 3HB SER 26 10.801 -6.724 -0.559 216 HG SER 26 HG SER 26 12.741 -6.488 -1.431 217 H LYS 27 H LYS 27 10.552 -9.136 1.109 218 HA LYS 27 HA LYS 27 7.756 -10.019 0.663 219 HB2 LYS 27 2HB LYS 27 9.088 -11.729 1.789 220 HB3 LYS 27 3HB LYS 27 9.643 -10.570 2.993 221 HG2 LYS 27 2HG LYS 27 7.442 -10.406 3.981 222 HG3 LYS 27 3HG LYS 27 6.709 -11.316 2.660 223 HD2 LYS 27 2HD LYS 27 8.734 -12.447 4.626 224 HD3 LYS 27 3HD LYS 27 6.985 -12.635 4.772 225 HE2 LYS 27 2HE LYS 27 8.737 -13.711 2.529 226 HE3 LYS 27 3HE LYS 27 7.941 -14.648 3.795 227 HZ1 LYS 27 1HZ LYS 27 5.789 -13.920 2.901 228 HZ2 LYS 27 2HZ LYS 27 6.690 -14.772 1.753 229 HZ3 LYS 27 3HZ LYS 27 6.581 -13.090 1.657 230 H VAL 28 H VAL 28 6.273 -8.576 1.163 231 HA VAL 28 HA VAL 28 6.965 -6.143 2.674 232 HB VAL 28 HB VAL 28 4.561 -6.638 0.853 233 HG11 VAL 28 1HG1 VAL 28 5.705 -4.049 1.961 234 HG12 VAL 28 2HG1 VAL 28 4.206 -4.824 2.479 235 HG13 VAL 28 3HG1 VAL 28 4.343 -4.177 0.843 236 HG21 VAL 28 1HG2 VAL 28 6.649 -6.833 -0.442 237 HG22 VAL 28 2HG2 VAL 28 7.185 -5.265 0.164 238 HG23 VAL 28 3HG2 VAL 28 5.769 -5.368 -0.885 239 H GLN 29 H GLN 29 5.786 -5.517 4.451 240 HA GLN 29 HA GLN 29 3.374 -7.014 5.270 241 HB2 GLN 29 2HB GLN 29 5.316 -7.776 6.635 242 HB3 GLN 29 3HB GLN 29 5.661 -6.114 7.091 243 HG2 GLN 29 2HG GLN 29 4.538 -7.315 8.915 244 HG3 GLN 29 3HG GLN 29 3.540 -5.989 8.325 245 HE21 GLN 29 1HE2 GLN 29 3.913 -9.474 8.396 246 HE22 GLN 29 2HE2 GLN 29 2.285 -9.850 7.960 247 H VAL 30 H VAL 30 1.791 -5.692 6.281 248 HA VAL 30 HA VAL 30 1.711 -2.934 5.575 249 HB VAL 30 HB VAL 30 -0.057 -4.451 7.556 250 HG11 VAL 30 1HG1 VAL 30 -1.738 -2.693 7.166 251 HG12 VAL 30 2HG1 VAL 30 -0.617 -1.833 6.109 252 HG13 VAL 30 3HG1 VAL 30 -0.255 -2.001 7.829 253 HG21 VAL 30 1HG2 VAL 30 -0.474 -3.970 4.580 254 HG22 VAL 30 2HG2 VAL 30 -1.627 -4.748 5.669 255 HG23 VAL 30 3HG2 VAL 30 -0.072 -5.514 5.336 256 H ARG 31 H ARG 31 2.084 -1.098 6.821 257 HA ARG 31 HA ARG 31 3.478 -1.542 9.411 258 HB2 ARG 31 2HB ARG 31 4.883 -0.836 7.381 259 HB3 ARG 31 3HB ARG 31 4.055 0.712 7.444 260 HG2 ARG 31 2HG ARG 31 6.252 0.849 8.510 261 HG3 ARG 31 3HG ARG 31 4.978 1.117 9.704 262 HD2 ARG 31 2HD ARG 31 5.242 -1.126 10.586 263 HD3 ARG 31 3HD ARG 31 6.348 -1.563 9.279 264 HE ARG 31 HE ARG 31 7.990 -0.087 10.227 265 HH11 ARG 31 1HH1 ARG 31 5.292 -0.853 12.379 266 HH12 ARG 31 2HH1 ARG 31 6.174 -0.444 13.814 267 HH21 ARG 31 1HH2 ARG 31 9.121 0.423 12.115 268 HH22 ARG 31 2HH2 ARG 31 8.342 0.276 13.657 269 H ARG 32 H ARG 32 1.289 0.589 7.584 270 HA ARG 32 HA ARG 32 -0.045 1.592 9.910 271 HB2 ARG 32 2HB ARG 32 2.234 2.810 9.875 272 HB3 ARG 32 3HB ARG 32 1.697 3.616 8.418 273 HG2 ARG 32 2HG ARG 32 0.148 3.838 11.009 274 HG3 ARG 32 3HG ARG 32 1.546 4.855 10.684 275 HD2 ARG 32 2HD ARG 32 0.191 5.406 8.449 276 HD3 ARG 32 3HD ARG 32 -1.187 4.911 9.436 277 HE ARG 32 HE ARG 32 -0.482 6.639 11.058 278 HH11 ARG 32 1HH1 ARG 32 0.559 6.963 7.705 279 HH12 ARG 32 2HH1 ARG 32 0.759 8.681 7.823 280 HH21 ARG 32 1HH2 ARG 32 -0.264 8.863 11.161 281 HH22 ARG 32 2HH2 ARG 32 0.290 9.754 9.783 282 H VAL 33 H VAL 33 -1.996 2.649 9.279 283 HA VAL 33 HA VAL 33 -2.532 3.040 6.387 284 HB VAL 33 HB VAL 33 -4.384 1.517 8.300 285 HG11 VAL 33 1HG1 VAL 33 -5.688 2.852 6.688 286 HG12 VAL 33 2HG1 VAL 33 -5.853 1.127 6.352 287 HG13 VAL 33 3HG1 VAL 33 -4.794 2.124 5.351 288 HG21 VAL 33 1HG2 VAL 33 -2.850 0.467 5.903 289 HG22 VAL 33 2HG2 VAL 33 -3.993 -0.460 6.879 290 HG23 VAL 33 3HG2 VAL 33 -2.487 0.122 7.595 291 H GLN 34 H GLN 34 -3.818 4.843 5.973 292 HA GLN 34 HA GLN 34 -5.228 6.194 8.200 293 HB2 GLN 34 2HB GLN 34 -3.146 7.390 6.344 294 HB3 GLN 34 3HB GLN 34 -4.441 8.412 6.954 295 HG2 GLN 34 2HG GLN 34 -2.493 6.863 8.676 296 HG3 GLN 34 3HG GLN 34 -2.375 8.577 8.288 297 HE21 GLN 34 1HE2 GLN 34 -3.905 10.022 9.197 298 HE22 GLN 34 2HE2 GLN 34 -4.823 9.590 10.596 299 H LYS 35 H LYS 35 -7.295 6.141 7.640 300 HA LYS 35 HA LYS 35 -8.268 6.321 4.913 301 HB2 LYS 35 2HB LYS 35 -9.403 4.924 6.642 302 HB3 LYS 35 3HB LYS 35 -9.721 6.364 7.601 303 HG2 LYS 35 2HG LYS 35 -11.751 5.756 6.459 304 HG3 LYS 35 3HG LYS 35 -11.140 7.242 5.721 305 HD2 LYS 35 2HD LYS 35 -10.161 5.886 3.871 306 HD3 LYS 35 3HD LYS 35 -10.810 4.426 4.618 307 HE2 LYS 35 2HE LYS 35 -12.432 6.730 3.512 308 HE3 LYS 35 3HE LYS 35 -12.213 5.154 2.754 309 HZ1 LYS 35 1HZ LYS 35 -13.272 4.183 4.730 310 HZ2 LYS 35 2HZ LYS 35 -14.295 5.199 3.852 311 HZ3 LYS 35 3HZ LYS 35 -13.604 5.739 5.294 312 H GLN 36 H GLN 36 -8.060 8.316 3.973 313 HA GLN 36 HA GLN 36 -8.875 10.766 5.464 314 HB2 GLN 36 2HB GLN 36 -6.871 10.712 3.169 315 HB3 GLN 36 3HB GLN 36 -7.221 12.045 4.261 316 HG2 GLN 36 2HG GLN 36 -6.133 10.818 6.096 317 HG3 GLN 36 3HG GLN 36 -5.802 9.472 5.005 318 HE21 GLN 36 1HE2 GLN 36 -5.150 11.260 2.717 319 HE22 GLN 36 2HE2 GLN 36 -3.604 11.931 3.083 320 H GLY 37 H GLY 37 -11.020 10.405 4.703 321 HA2 GLY 37 2HA GLY 37 -12.815 10.609 3.298 322 HA3 GLY 37 3HA GLY 37 -11.774 11.527 2.215 323 H ASN 38 H ASN 38 -11.878 10.622 0.208 324 HA ASN 38 HA ASN 38 -12.365 7.843 -0.308 325 HB2 ASN 38 2HB ASN 38 -11.419 10.098 -2.137 326 HB3 ASN 38 3HB ASN 38 -11.685 8.452 -2.710 327 HD21 ASN 38 1HD2 ASN 38 -13.312 9.073 -4.111 328 HD22 ASN 38 2HD2 ASN 38 -14.877 9.571 -3.575 329 H THR 39 H THR 39 -9.475 9.696 0.262 330 HA THR 39 HA THR 39 -7.730 7.770 -1.104 331 HB THR 39 HB THR 39 -7.016 10.454 0.137 332 HG1 THR 39 HG1 THR 39 -8.470 9.969 -2.001 333 HG21 THR 39 1HG2 THR 39 -5.002 10.330 -1.300 334 HG22 THR 39 2HG2 THR 39 -5.491 8.733 -1.868 335 HG23 THR 39 3HG2 THR 39 -5.042 8.966 -0.177 336 H ILE 40 H ILE 40 -7.172 6.082 0.121 337 HA ILE 40 HA ILE 40 -6.483 6.362 2.960 338 HB ILE 40 HB ILE 40 -6.617 3.845 1.234 339 HG12 ILE 40 2HG1 ILE 40 -8.650 5.030 3.166 340 HG13 ILE 40 3HG1 ILE 40 -8.827 4.894 1.422 341 HG21 ILE 40 1HG2 ILE 40 -6.414 4.130 4.259 342 HG22 ILE 40 2HG2 ILE 40 -5.128 3.574 3.185 343 HG23 ILE 40 3HG2 ILE 40 -6.593 2.612 3.376 344 HD11 ILE 40 1HD1 ILE 40 -10.132 3.243 2.665 345 HD12 ILE 40 2HD1 ILE 40 -8.647 2.548 3.315 346 HD13 ILE 40 3HD1 ILE 40 -8.966 2.505 1.579 347 H ARG 41 H ARG 41 -4.412 6.982 3.350 348 HA ARG 41 HA ARG 41 -2.178 6.195 1.626 349 HB2 ARG 41 2HB ARG 41 -2.185 7.820 4.210 350 HB3 ARG 41 3HB ARG 41 -0.796 7.571 3.151 351 HG2 ARG 41 2HG ARG 41 -2.040 8.744 1.326 352 HG3 ARG 41 3HG ARG 41 -3.333 9.097 2.480 353 HD2 ARG 41 2HD ARG 41 -1.988 11.062 2.387 354 HD3 ARG 41 3HD ARG 41 -1.554 10.276 3.904 355 HE ARG 41 HE ARG 41 0.085 10.490 1.475 356 HH11 ARG 41 1HH1 ARG 41 -0.109 9.438 4.826 357 HH12 ARG 41 2HH1 ARG 41 1.602 9.212 4.980 358 HH21 ARG 41 1HH2 ARG 41 2.294 10.108 1.652 359 HH22 ARG 41 2HH2 ARG 41 2.965 9.599 3.170 360 H VAL 42 H VAL 42 -1.785 4.047 1.883 361 HA VAL 42 HA VAL 42 -1.470 2.889 4.584 362 HB VAL 42 HB VAL 42 -1.338 1.453 1.880 363 HG11 VAL 42 1HG1 VAL 42 -1.531 0.307 4.695 364 HG12 VAL 42 2HG1 VAL 42 -0.105 0.257 3.660 365 HG13 VAL 42 3HG1 VAL 42 -1.556 -0.635 3.200 366 HG21 VAL 42 1HG2 VAL 42 -3.594 2.343 2.248 367 HG22 VAL 42 2HG2 VAL 42 -3.643 1.600 3.849 368 HG23 VAL 42 3HG2 VAL 42 -3.595 0.583 2.406 369 H GLU 43 H GLU 43 0.520 3.510 5.340 370 HA GLU 43 HA GLU 43 2.953 3.251 3.839 371 HB2 GLU 43 2HB GLU 43 2.395 3.417 6.822 372 HB3 GLU 43 3HB GLU 43 4.016 3.212 6.189 373 HG2 GLU 43 2HG GLU 43 3.840 5.501 6.650 374 HG3 GLU 43 3HG GLU 43 3.661 5.373 4.906 375 H LEU 44 H LEU 44 4.003 1.386 3.392 376 HA LEU 44 HA LEU 44 3.557 -0.986 5.114 377 HB2 LEU 44 2HB LEU 44 4.261 -1.127 2.155 378 HB3 LEU 44 3HB LEU 44 3.882 -2.457 3.234 379 HG LEU 44 HG LEU 44 1.522 -1.170 3.427 380 HD11 LEU 44 1HD1 LEU 44 2.160 0.736 2.048 381 HD12 LEU 44 2HD1 LEU 44 0.826 -0.154 1.319 382 HD13 LEU 44 3HD1 LEU 44 2.461 -0.331 0.673 383 HD21 LEU 44 1HD2 LEU 44 2.224 -2.955 1.079 384 HD22 LEU 44 2HD2 LEU 44 0.597 -2.634 1.690 385 HD23 LEU 44 3HD2 LEU 44 1.763 -3.490 2.697 386 H GLU 45 H GLU 45 5.446 -2.517 4.926 387 HA GLU 45 HA GLU 45 8.017 -1.080 4.748 388 HB2 GLU 45 2HB GLU 45 7.243 -1.384 7.116 389 HB3 GLU 45 3HB GLU 45 7.233 -3.128 6.866 390 HG2 GLU 45 2HG GLU 45 9.655 -3.106 6.450 391 HG3 GLU 45 3HG GLU 45 9.682 -1.350 6.623 392 H LEU 46 H LEU 46 8.972 -1.936 3.063 393 HA LEU 46 HA LEU 46 8.566 -4.718 2.219 394 HB2 LEU 46 2HB LEU 46 8.134 -3.011 0.561 395 HB3 LEU 46 3HB LEU 46 9.664 -2.217 0.866 396 HG LEU 46 HG LEU 46 9.723 -5.042 -0.210 397 HD11 LEU 46 1HD1 LEU 46 8.060 -3.933 -1.641 398 HD12 LEU 46 2HD1 LEU 46 9.550 -4.270 -2.520 399 HD13 LEU 46 3HD1 LEU 46 9.204 -2.627 -1.969 400 HD21 LEU 46 1HD2 LEU 46 11.483 -2.613 -0.710 401 HD22 LEU 46 2HD2 LEU 46 11.751 -4.235 -1.359 402 HD23 LEU 46 3HD2 LEU 46 11.850 -3.955 0.377 403 H ARG 47 H ARG 47 10.076 -6.173 2.767 404 HA ARG 47 HA ARG 47 12.729 -5.280 3.763 405 HB2 ARG 47 2HB ARG 47 11.071 -7.746 4.453 406 HB3 ARG 47 3HB ARG 47 12.676 -7.411 5.103 407 HG2 ARG 47 2HG ARG 47 11.867 -5.488 6.322 408 HG3 ARG 47 3HG ARG 47 10.305 -5.551 5.499 409 HD2 ARG 47 2HD ARG 47 11.377 -7.663 7.409 410 HD3 ARG 47 3HD ARG 47 10.162 -6.437 7.802 411 HE ARG 47 HE ARG 47 9.145 -7.722 5.610 412 HH11 ARG 47 1HH1 ARG 47 10.163 -8.832 8.804 413 HH12 ARG 47 2HH1 ARG 47 9.046 -10.156 8.817 414 HH21 ARG 47 1HH2 ARG 47 7.694 -9.447 5.663 415 HH22 ARG 47 2HH2 ARG 47 7.643 -10.505 7.034 416 H THR 48 H THR 48 14.545 -6.167 2.916 417 HA THR 48 HA THR 48 14.494 -8.346 0.954 418 HB THR 48 HB THR 48 16.000 -5.838 0.135 419 HG1 THR 48 HG1 THR 48 14.196 -4.913 -0.755 420 HG21 THR 48 1HG2 THR 48 15.460 -6.598 -2.147 421 HG22 THR 48 2HG2 THR 48 14.471 -7.907 -1.499 422 HG23 THR 48 3HG2 THR 48 16.214 -7.908 -1.226 423 H ASN 49 H ASN 49 16.917 -8.676 0.207 424 HA ASN 49 HA ASN 49 18.582 -9.256 2.401 425 HB2 ASN 49 2HB ASN 49 19.310 -8.982 -0.551 426 HB3 ASN 49 3HB ASN 49 20.309 -9.768 0.671 427 HD21 ASN 49 1HD2 ASN 49 17.327 -9.984 -1.174 428 HD22 ASN 49 2HD2 ASN 49 17.076 -11.673 -0.915 429 H GLY 50 H GLY 50 19.106 -7.541 3.689 430 HA2 GLY 50 2HA GLY 50 20.506 -5.870 4.450 431 HA3 GLY 50 3HA GLY 50 21.205 -5.748 2.845 432 H LYS 51 H LYS 51 17.894 -5.500 2.525 433 HA LYS 51 HA LYS 51 17.902 -2.542 2.755 434 HB2 LYS 51 2HB LYS 51 16.329 -4.205 0.747 435 HB3 LYS 51 3HB LYS 51 16.342 -2.450 0.876 436 HG2 LYS 51 2HG LYS 51 18.756 -2.453 0.251 437 HG3 LYS 51 3HG LYS 51 18.674 -4.207 0.037 438 HD2 LYS 51 2HD LYS 51 18.460 -3.087 -2.136 439 HD3 LYS 51 3HD LYS 51 16.945 -3.896 -1.727 440 HE2 LYS 51 2HE LYS 51 16.098 -1.650 -0.881 441 HE3 LYS 51 3HE LYS 51 17.555 -0.926 -1.561 442 HZ1 LYS 51 1HZ LYS 51 16.888 -1.622 -3.736 443 HZ2 LYS 51 2HZ LYS 51 15.596 -0.790 -3.023 444 HZ3 LYS 51 3HZ LYS 51 15.566 -2.479 -3.124 445 H LYS 52 H LYS 52 16.092 -1.589 3.609 446 HA LYS 52 HA LYS 52 13.604 -3.062 3.907 447 HB2 LYS 52 2HB LYS 52 14.771 -3.423 6.098 448 HB3 LYS 52 3HB LYS 52 14.896 -1.678 6.305 449 HG2 LYS 52 2HG LYS 52 12.338 -1.605 6.195 450 HG3 LYS 52 3HG LYS 52 12.373 -3.369 6.277 451 HD2 LYS 52 2HD LYS 52 12.006 -2.508 8.510 452 HD3 LYS 52 3HD LYS 52 13.629 -3.197 8.440 453 HE2 LYS 52 2HE LYS 52 14.572 -0.916 8.168 454 HE3 LYS 52 3HE LYS 52 12.941 -0.242 8.251 455 HZ1 LYS 52 1HZ LYS 52 12.731 -1.107 10.487 456 HZ2 LYS 52 2HZ LYS 52 14.084 -0.107 10.377 457 HZ3 LYS 52 3HZ LYS 52 14.275 -1.786 10.413 458 H GLU 53 H GLU 53 12.541 -1.723 2.552 459 HA GLU 53 HA GLU 53 12.901 1.205 2.737 460 HB2 GLU 53 2HB GLU 53 11.617 -0.400 0.483 461 HB3 GLU 53 3HB GLU 53 12.081 1.300 0.449 462 HG2 GLU 53 2HG GLU 53 14.455 0.660 0.586 463 HG3 GLU 53 3HG GLU 53 13.998 -1.043 0.646 464 H ASN 54 H ASN 54 11.354 2.122 3.999 465 HA ASN 54 HA ASN 54 8.674 1.108 4.274 466 HB2 ASN 54 2HB ASN 54 9.936 3.760 5.107 467 HB3 ASN 54 3HB ASN 54 8.247 3.360 5.418 468 HD21 ASN 54 1HD2 ASN 54 8.412 3.380 7.622 469 HD22 ASN 54 2HD2 ASN 54 9.323 2.226 8.527 470 H TYR 55 H TYR 55 7.201 1.284 2.731 471 HA TYR 55 HA TYR 55 7.283 3.487 0.753 472 HB2 TYR 55 2HB TYR 55 6.069 0.695 0.670 473 HB3 TYR 55 3HB TYR 55 5.595 1.933 -0.481 474 HD1 TYR 55 HD1 TYR 55 6.973 2.428 -2.391 475 HD2 TYR 55 HD2 TYR 55 8.460 -0.143 0.666 476 HE1 TYR 55 HE1 TYR 55 8.825 1.760 -3.856 477 HE2 TYR 55 HE2 TYR 55 10.313 -0.804 -0.798 478 HH TYR 55 HH TYR 55 11.088 -0.773 -2.940 479 H THR 56 H THR 56 5.075 4.173 0.007 480 HA THR 56 HA THR 56 2.869 3.845 1.888 481 HB THR 56 HB THR 56 3.738 6.615 0.931 482 HG1 THR 56 HG1 THR 56 4.349 5.177 3.239 483 HG21 THR 56 1HG2 THR 56 2.027 7.441 2.497 484 HG22 THR 56 2HG2 THR 56 1.600 5.786 2.930 485 HG23 THR 56 3HG2 THR 56 1.294 6.377 1.294 486 H VAL 57 H VAL 57 1.596 2.808 0.467 487 HA VAL 57 HA VAL 57 1.290 3.758 -2.291 488 HB VAL 57 HB VAL 57 0.097 1.283 -0.942 489 HG11 VAL 57 1HG1 VAL 57 0.149 2.054 -3.889 490 HG12 VAL 57 2HG1 VAL 57 -1.274 2.061 -2.846 491 HG13 VAL 57 3HG1 VAL 57 -0.475 0.537 -3.232 492 HG21 VAL 57 1HG2 VAL 57 1.788 -0.009 -2.205 493 HG22 VAL 57 2HG2 VAL 57 2.555 1.134 -1.099 494 HG23 VAL 57 3HG2 VAL 57 2.479 1.494 -2.826 495 H GLU 58 H GLU 58 0.044 5.454 -2.313 496 HA GLU 58 HA GLU 58 -2.195 5.844 -0.488 497 HB2 GLU 58 2HB GLU 58 -0.983 7.683 -2.598 498 HB3 GLU 58 3HB GLU 58 -2.217 8.141 -1.420 499 HG2 GLU 58 2HG GLU 58 -0.613 7.632 0.416 500 HG3 GLU 58 3HG GLU 58 0.607 7.233 -0.792 501 H VAL 59 H VAL 59 -3.905 4.797 -1.079 502 HA VAL 59 HA VAL 59 -4.704 4.403 -3.884 503 HB VAL 59 HB VAL 59 -5.729 3.067 -1.331 504 HG11 VAL 59 1HG1 VAL 59 -6.122 2.245 -4.220 505 HG12 VAL 59 2HG1 VAL 59 -7.354 2.948 -3.169 506 HG13 VAL 59 3HG1 VAL 59 -6.688 1.353 -2.805 507 HG21 VAL 59 1HG2 VAL 59 -3.665 2.010 -3.306 508 HG22 VAL 59 2HG2 VAL 59 -4.325 1.117 -1.931 509 HG23 VAL 59 3HG2 VAL 59 -3.336 2.554 -1.656 510 H GLU 60 H GLU 60 -6.946 4.871 -4.492 511 HA GLU 60 HA GLU 60 -8.423 6.770 -2.783 512 HB2 GLU 60 2HB GLU 60 -7.183 8.025 -4.503 513 HB3 GLU 60 3HB GLU 60 -7.869 7.015 -5.773 514 HG2 GLU 60 2HG GLU 60 -10.132 7.876 -5.205 515 HG3 GLU 60 3HG GLU 60 -9.415 8.920 -3.976 516 H ARG 61 H ARG 61 -10.639 6.609 -2.889 517 HA ARG 61 HA ARG 61 -11.859 4.243 -4.017 518 HB2 ARG 61 2HB ARG 61 -12.479 5.191 -1.770 519 HB3 ARG 61 3HB ARG 61 -13.125 6.618 -2.570 520 HG2 ARG 61 2HG ARG 61 -14.935 5.114 -1.962 521 HG3 ARG 61 3HG ARG 61 -14.805 5.196 -3.721 522 HD2 ARG 61 2HD ARG 61 -13.806 3.034 -3.845 523 HD3 ARG 61 3HD ARG 61 -13.500 2.988 -2.104 524 HE ARG 61 HE ARG 61 -16.298 3.180 -2.825 525 HH11 ARG 61 1HH1 ARG 61 -13.632 0.975 -2.240 526 HH12 ARG 61 2HH1 ARG 61 -14.660 -0.358 -1.843 527 HH21 ARG 61 1HH2 ARG 61 -17.642 1.399 -2.283 528 HH22 ARG 61 2HH2 ARG 61 -16.917 -0.122 -1.870 529 H GLN 62 H GLN 62 -12.257 4.275 -6.153 530 HA GLN 62 HA GLN 62 -13.787 6.537 -7.316 531 HB2 GLN 62 2HB GLN 62 -11.870 4.625 -8.744 532 HB3 GLN 62 3HB GLN 62 -12.925 5.773 -9.566 533 HG2 GLN 62 2HG GLN 62 -11.771 7.619 -8.263 534 HG3 GLN 62 3HG GLN 62 -10.606 6.414 -7.715 535 HE21 GLN 62 1HE2 GLN 62 -10.050 8.769 -9.231 536 HE22 GLN 62 2HE2 GLN 62 -9.370 8.263 -10.737 537 H GLY 63 H GLY 63 -15.825 5.879 -7.028 538 HA2 GLY 63 2HA GLY 63 -17.773 4.715 -7.273 539 HA3 GLY 63 3HA GLY 63 -16.936 3.602 -8.348 540 H ASN 64 H ASN 64 -16.719 1.589 -7.613 541 HA ASN 64 HA ASN 64 -16.793 1.012 -4.706 542 HB2 ASN 64 2HB ASN 64 -17.461 -1.254 -5.310 543 HB3 ASN 64 3HB ASN 64 -18.519 -0.114 -6.129 544 HD21 ASN 64 1HD2 ASN 64 -16.026 -2.511 -6.553 545 HD22 ASN 64 2HD2 ASN 64 -16.157 -2.628 -8.270 546 H THR 65 H THR 65 -14.665 1.238 -7.361 547 HA THR 65 HA THR 65 -12.889 -0.951 -6.511 548 HB THR 65 HB THR 65 -11.613 -0.380 -8.627 549 HG1 THR 65 HG1 THR 65 -12.904 1.849 -8.534 550 HG21 THR 65 1HG2 THR 65 -14.571 -0.974 -9.033 551 HG22 THR 65 2HG2 THR 65 -13.321 -2.166 -8.667 552 HG23 THR 65 3HG2 THR 65 -13.288 -1.295 -10.202 553 H TRP 66 H TRP 66 -10.724 -0.638 -6.014 554 HA TRP 66 HA TRP 66 -9.968 2.016 -4.958 555 HB2 TRP 66 2HB TRP 66 -9.021 -0.810 -4.295 556 HB3 TRP 66 3HB TRP 66 -8.286 0.641 -3.632 557 HD1 TRP 66 HD1 TRP 66 -11.074 -1.759 -2.954 558 HE1 TRP 66 HE1 TRP 66 -12.482 -0.929 -0.955 559 HE3 TRP 66 HE3 TRP 66 -9.246 3.022 -2.565 560 HZ2 TRP 66 HZ2 TRP 66 -12.787 1.420 0.561 561 HZ3 TRP 66 HZ3 TRP 66 -10.165 4.497 -0.819 562 HH2 TRP 66 HH2 TRP 66 -11.901 3.708 0.713 563 H THR 67 H THR 67 -8.618 3.156 -6.223 564 HA THR 67 HA THR 67 -6.767 1.791 -8.105 565 HB THR 67 HB THR 67 -8.474 3.313 -9.154 566 HG1 THR 67 HG1 THR 67 -6.731 4.656 -10.234 567 HG21 THR 67 1HG2 THR 67 -8.244 5.765 -8.913 568 HG22 THR 67 2HG2 THR 67 -7.008 5.536 -7.678 569 HG23 THR 67 3HG2 THR 67 -8.666 5.021 -7.364 570 H VAL 68 H VAL 68 -4.556 2.426 -8.138 571 HA VAL 68 HA VAL 68 -3.582 3.651 -5.672 572 HB VAL 68 HB VAL 68 -2.024 2.396 -7.974 573 HG11 VAL 68 1HG1 VAL 68 -0.072 2.426 -6.450 574 HG12 VAL 68 2HG1 VAL 68 -1.021 3.308 -5.250 575 HG13 VAL 68 3HG1 VAL 68 -0.640 4.062 -6.799 576 HG21 VAL 68 1HG2 VAL 68 -3.406 0.754 -6.747 577 HG22 VAL 68 2HG2 VAL 68 -2.686 1.275 -5.221 578 HG23 VAL 68 3HG2 VAL 68 -1.687 0.486 -6.445 579 H LYS 69 H LYS 69 -3.526 5.784 -5.590 580 HA LYS 69 HA LYS 69 -3.250 7.613 -7.742 581 HB2 LYS 69 2HB LYS 69 -2.826 7.931 -4.737 582 HB3 LYS 69 3HB LYS 69 -2.715 9.280 -5.863 583 HG2 LYS 69 2HG LYS 69 -5.180 7.558 -5.497 584 HG3 LYS 69 3HG LYS 69 -4.914 9.101 -4.687 585 HD2 LYS 69 2HD LYS 69 -4.854 8.884 -7.716 586 HD3 LYS 69 3HD LYS 69 -6.371 9.067 -6.838 587 HE2 LYS 69 2HE LYS 69 -5.546 11.229 -7.653 588 HE3 LYS 69 3HE LYS 69 -5.600 11.197 -5.898 589 HZ1 LYS 69 1HZ LYS 69 -3.144 10.807 -7.526 590 HZ2 LYS 69 2HZ LYS 69 -3.215 10.908 -5.842 591 HZ3 LYS 69 3HZ LYS 69 -3.591 12.256 -6.788 592 H ARG 70 H ARG 70 -0.948 6.352 -5.348 593 HA ARG 70 HA ARG 70 1.293 6.623 -7.125 594 HB2 ARG 70 2HB ARG 70 2.616 8.188 -5.766 595 HB3 ARG 70 3HB ARG 70 1.138 8.962 -6.320 596 HG2 ARG 70 2HG ARG 70 0.124 8.699 -4.101 597 HG3 ARG 70 3HG ARG 70 1.552 7.835 -3.525 598 HD2 ARG 70 2HD ARG 70 1.560 10.169 -2.773 599 HD3 ARG 70 3HD ARG 70 2.919 9.851 -3.855 600 HE ARG 70 HE ARG 70 0.832 10.829 -5.416 601 HH11 ARG 70 1HH1 ARG 70 2.865 12.045 -2.803 602 HH12 ARG 70 2HH1 ARG 70 2.751 13.690 -3.332 603 HH21 ARG 70 1HH2 ARG 70 0.717 12.988 -6.095 604 HH22 ARG 70 2HH2 ARG 70 1.538 14.225 -5.197 605 H ILE 71 H ILE 71 3.106 5.537 -6.400 606 HA ILE 71 HA ILE 71 3.010 4.213 -3.748 607 HB ILE 71 HB ILE 71 4.592 3.411 -6.245 608 HG12 ILE 71 2HG1 ILE 71 2.267 1.969 -4.885 609 HG13 ILE 71 3HG1 ILE 71 2.144 2.883 -6.384 610 HG21 ILE 71 1HG2 ILE 71 5.289 1.428 -4.924 611 HG22 ILE 71 2HG2 ILE 71 4.478 2.097 -3.507 612 HG23 ILE 71 3HG2 ILE 71 5.865 2.934 -4.208 613 HD11 ILE 71 1HD1 ILE 71 3.747 0.363 -5.958 614 HD12 ILE 71 2HD1 ILE 71 3.698 1.307 -7.451 615 HD13 ILE 71 3HD1 ILE 71 2.233 0.538 -6.847 616 H THR 72 H THR 72 4.076 5.570 -2.430 617 HA THR 72 HA THR 72 6.419 7.105 -3.264 618 HB THR 72 HB THR 72 4.976 7.038 -0.557 619 HG1 THR 72 HG1 THR 72 3.611 8.479 -1.355 620 HG21 THR 72 1HG2 THR 72 6.059 9.222 -0.160 621 HG22 THR 72 2HG2 THR 72 6.865 9.128 -1.726 622 HG23 THR 72 3HG2 THR 72 7.286 7.982 -0.451 623 H ARG 73 H ARG 73 8.479 6.660 -2.469 624 HA ARG 73 HA ARG 73 8.877 4.430 -0.550 625 HB2 ARG 73 2HB ARG 73 9.883 3.925 -2.750 626 HB3 ARG 73 3HB ARG 73 10.708 5.481 -2.771 627 HG2 ARG 73 2HG ARG 73 12.002 4.711 -0.718 628 HG3 ARG 73 3HG ARG 73 11.276 3.118 -0.944 629 HD2 ARG 73 2HD ARG 73 12.949 4.537 -3.043 630 HD3 ARG 73 3HD ARG 73 13.599 3.367 -1.890 631 HE ARG 73 HE ARG 73 11.552 2.028 -3.074 632 HH11 ARG 73 1HH1 ARG 73 14.376 3.665 -4.382 633 HH12 ARG 73 2HH1 ARG 73 14.489 2.606 -5.746 634 HH21 ARG 73 1HH2 ARG 73 11.772 0.612 -4.795 635 HH22 ARG 73 2HH2 ARG 73 13.013 0.875 -5.981 636 H THR 74 H THR 74 10.306 4.890 1.182 637 HA THR 74 HA THR 74 10.518 7.500 2.206 638 HB THR 74 HB THR 74 10.645 5.593 3.715 639 HG1 THR 74 HG1 THR 74 12.802 6.125 4.724 640 HG21 THR 74 1HG2 THR 74 11.738 3.928 2.259 641 HG22 THR 74 2HG2 THR 74 12.580 4.058 3.804 642 HG23 THR 74 3HG2 THR 74 13.259 4.822 2.367 643 H VAL 75 H VAL 75 12.098 9.053 2.038 644 HA VAL 75 HA VAL 75 13.937 8.866 -0.201 645 HB VAL 75 HB VAL 75 12.548 10.907 0.151 646 HG11 VAL 75 1HG1 VAL 75 14.229 11.412 2.629 647 HG12 VAL 75 2HG1 VAL 75 12.508 11.026 2.592 648 HG13 VAL 75 3HG1 VAL 75 13.081 12.551 1.917 649 HG21 VAL 75 1HG2 VAL 75 15.541 11.437 0.264 650 HG22 VAL 75 2HG2 VAL 75 14.320 12.590 -0.284 651 HG23 VAL 75 3HG2 VAL 75 14.589 11.096 -1.184 652 H GLY 76 H GLY 76 16.150 8.749 -0.073 653 HA2 GLY 76 2HA GLY 76 17.344 8.119 2.567 654 HA3 GLY 76 3HA GLY 76 17.942 7.605 0.996 655 H SER 77 H SER 77 19.262 9.019 3.223 656 HA SER 77 HA SER 77 20.661 11.004 1.578 657 HB2 SER 77 2HB SER 77 19.036 12.331 2.939 658 HB3 SER 77 3HB SER 77 19.664 11.602 4.415 659 HG SER 77 HG SER 77 21.209 13.027 4.389 660 H LEU 78 H LEU 78 22.806 11.496 2.500 661 HA LEU 78 HA LEU 78 24.163 9.273 3.619 662 HB2 LEU 78 2HB LEU 78 26.155 10.598 3.646 663 HB3 LEU 78 3HB LEU 78 25.298 10.983 2.171 664 HG LEU 78 HG LEU 78 25.307 12.782 4.639 665 HD11 LEU 78 1HD1 LEU 78 27.010 12.994 2.136 666 HD12 LEU 78 2HD1 LEU 78 27.575 12.585 3.759 667 HD13 LEU 78 3HD1 LEU 78 26.923 14.189 3.436 668 HD21 LEU 78 1HD2 LEU 78 24.478 14.535 3.137 669 HD22 LEU 78 2HD2 LEU 78 23.367 13.166 3.164 670 HD23 LEU 78 3HD2 LEU 78 24.451 13.392 1.789 671 H GLU 79 H GLU 79 24.745 8.837 5.714 672 HA GLU 79 HA GLU 79 23.293 10.354 7.818 673 HB2 GLU 79 2HB GLU 79 23.459 8.077 9.059 674 HB3 GLU 79 3HB GLU 79 22.341 8.190 7.712 675 HG2 GLU 79 2HG GLU 79 23.423 6.057 7.587 676 HG3 GLU 79 3HG GLU 79 24.027 7.039 6.259 677 H HIS 80 H HIS 80 24.464 9.459 10.074 678 HA HIS 80 HA HIS 80 27.401 9.844 9.823 679 HB2 HIS 80 2HB HIS 80 26.261 11.753 11.050 680 HB3 HIS 80 3HB HIS 80 25.680 10.601 12.252 681 HD1 HIS 80 HD1 HIS 80 28.962 11.898 10.823 682 HD2 HIS 80 HD2 HIS 80 27.502 10.166 14.316 683 HE1 HIS 80 HE1 HIS 80 30.862 11.954 12.455 684 HE2 HIS 80 HE2 HIS 80 29.902 11.074 14.601 685 H HIS 81 H HIS 81 28.386 7.964 10.173 686 HA HIS 81 HA HIS 81 27.189 5.641 11.235 687 HB2 HIS 81 2HB HIS 81 30.117 6.371 10.790 688 HB3 HIS 81 3HB HIS 81 29.603 4.776 11.335 689 HD1 HIS 81 HD1 HIS 81 30.171 6.719 8.303 690 HD2 HIS 81 HD2 HIS 81 27.883 3.426 9.379 691 HE1 HIS 81 HE1 HIS 81 29.558 5.589 6.150 692 HE2 HIS 81 HE2 HIS 81 27.985 3.762 6.830 693 H HIS 82 H HIS 82 26.679 5.222 13.278 694 HA HIS 82 HA HIS 82 27.641 6.707 15.537 695 HB2 HIS 82 2HB HIS 82 25.365 5.622 15.433 696 HB3 HIS 82 3HB HIS 82 26.135 4.041 15.511 697 HD1 HIS 82 HD1 HIS 82 24.835 6.746 17.614 698 HD2 HIS 82 HD2 HIS 82 27.464 3.565 18.094 699 HE1 HIS 82 HE1 HIS 82 25.090 6.446 20.092 700 HE2 HIS 82 HE2 HIS 82 26.815 4.629 20.340 701 H HIS 83 H HIS 83 28.203 3.472 14.221 702 HA HIS 83 HA HIS 83 30.435 2.897 16.017 703 HB2 HIS 83 2HB HIS 83 29.134 1.293 13.761 704 HB3 HIS 83 3HB HIS 83 30.543 0.735 14.661 705 HD1 HIS 83 HD1 HIS 83 29.785 -1.028 16.203 706 HD2 HIS 83 HD2 HIS 83 27.055 2.100 16.030 707 HE1 HIS 83 HE1 HIS 83 27.975 -1.618 17.834 708 HE2 HIS 83 HE2 HIS 83 26.426 0.364 17.829 709 H HIS 84 H HIS 84 32.468 3.372 15.521 710 HA HIS 84 HA HIS 84 33.299 3.861 12.705 711 HB2 HIS 84 2HB HIS 84 34.315 5.250 15.237 712 HB3 HIS 84 3HB HIS 84 35.006 5.453 13.630 713 HD1 HIS 84 HD1 HIS 84 32.471 6.780 15.859 714 HD2 HIS 84 HD2 HIS 84 33.167 6.764 11.764 715 HE1 HIS 84 HE1 HIS 84 31.072 8.636 14.931 716 HE2 HIS 84 HE2 HIS 84 31.500 8.597 12.446 717 H HIS 85 H HIS 85 35.102 2.816 12.051 718 HA HIS 85 HA HIS 85 36.456 0.985 13.946 719 HB2 HIS 85 2HB HIS 85 35.109 -0.139 12.155 720 HB3 HIS 85 3HB HIS 85 36.112 0.640 10.934 721 HD1 HIS 85 HD1 HIS 85 38.124 -0.661 10.220 722 HD2 HIS 85 HD2 HIS 85 36.708 -1.901 13.923 723 HE1 HIS 85 HE1 HIS 85 39.504 -2.657 10.840 724 HE2 HIS 85 HE2 HIS 85 38.746 -3.270 13.155 Start of MODEL 2 1 H1 MET 1 1H MET 1 -19.702 -9.242 1.037 2 H2 MET 1 2H MET 1 -20.458 -8.192 -0.049 3 H3 MET 1 3H MET 1 -21.372 -9.337 0.787 4 HA MET 1 HA MET 1 -21.657 -7.121 1.690 5 HB2 MET 1 2HB MET 1 -20.216 -9.092 3.526 6 HB3 MET 1 3HB MET 1 -21.141 -7.705 4.093 7 HG2 MET 1 2HG MET 1 -22.245 -10.070 2.563 8 HG3 MET 1 3HG MET 1 -22.439 -9.756 4.291 9 HE1 MET 1 1HE MET 1 -26.053 -9.098 2.822 10 HE2 MET 1 2HE MET 1 -25.131 -9.992 4.033 11 HE3 MET 1 3HE MET 1 -24.903 -10.333 2.316 12 HA PRO 2 HA PRO 2 -17.455 -5.122 1.439 13 HB2 PRO 2 2HB PRO 2 -18.285 -2.781 0.258 14 HB3 PRO 2 3HB PRO 2 -17.895 -4.236 -0.680 15 HG2 PRO 2 2HG PRO 2 -20.588 -3.188 0.122 16 HG3 PRO 2 3HG PRO 2 -20.070 -3.884 -1.431 17 HD2 PRO 2 2HD PRO 2 -21.458 -5.322 0.444 18 HD3 PRO 2 3HD PRO 2 -20.315 -6.069 -0.691 19 H SER 3 H SER 3 -17.059 -4.600 3.531 20 HA SER 3 HA SER 3 -18.676 -2.501 4.884 21 HB2 SER 3 2HB SER 3 -17.010 -4.750 6.103 22 HB3 SER 3 3HB SER 3 -17.850 -3.496 7.027 23 HG SER 3 HG SER 3 -19.803 -4.278 5.891 24 H GLU 4 H GLU 4 -17.515 -0.868 6.038 25 HA GLU 4 HA GLU 4 -15.345 0.216 4.634 26 HB2 GLU 4 2HB GLU 4 -15.264 1.940 6.403 27 HB3 GLU 4 3HB GLU 4 -16.909 1.633 5.861 28 HG2 GLU 4 2HG GLU 4 -17.360 0.307 7.878 29 HG3 GLU 4 3HG GLU 4 -15.691 0.519 8.414 30 H GLU 5 H GLU 5 -15.423 -1.807 7.489 31 HA GLU 5 HA GLU 5 -12.669 -1.505 8.231 32 HB2 GLU 5 2HB GLU 5 -14.692 -3.643 9.015 33 HB3 GLU 5 3HB GLU 5 -13.121 -3.393 9.781 34 HG2 GLU 5 2HG GLU 5 -13.835 -1.122 10.485 35 HG3 GLU 5 3HG GLU 5 -15.414 -1.402 9.745 36 H GLU 6 H GLU 6 -14.524 -3.788 6.289 37 HA GLU 6 HA GLU 6 -12.410 -5.575 5.619 38 HB2 GLU 6 2HB GLU 6 -14.727 -6.303 5.400 39 HB3 GLU 6 3HB GLU 6 -15.076 -5.008 4.255 40 HG2 GLU 6 2HG GLU 6 -13.619 -6.035 2.583 41 HG3 GLU 6 3HG GLU 6 -13.108 -7.266 3.734 42 H GLU 7 H GLU 7 -13.452 -2.446 4.423 43 HA GLU 7 HA GLU 7 -12.424 -2.517 1.823 44 HB2 GLU 7 2HB GLU 7 -12.798 -0.131 3.666 45 HB3 GLU 7 3HB GLU 7 -12.323 0.015 1.979 46 HG2 GLU 7 2HG GLU 7 -14.940 -1.034 3.071 47 HG3 GLU 7 3HG GLU 7 -14.684 0.447 2.156 48 H LYS 8 H LYS 8 -10.854 -1.417 4.880 49 HA LYS 8 HA LYS 8 -8.379 -0.714 3.757 50 HB2 LYS 8 2HB LYS 8 -8.919 -1.762 6.559 51 HB3 LYS 8 3HB LYS 8 -7.345 -1.198 6.020 52 HG2 LYS 8 2HG LYS 8 -8.068 0.731 7.015 53 HG3 LYS 8 3HG LYS 8 -8.704 1.010 5.393 54 HD2 LYS 8 2HD LYS 8 -10.386 1.561 7.058 55 HD3 LYS 8 3HD LYS 8 -10.915 0.164 6.129 56 HE2 LYS 8 2HE LYS 8 -11.361 -0.085 8.570 57 HE3 LYS 8 3HE LYS 8 -10.291 -1.342 7.952 58 HZ1 LYS 8 1HZ LYS 8 -9.476 -0.555 10.036 59 HZ2 LYS 8 2HZ LYS 8 -9.518 1.051 9.524 60 HZ3 LYS 8 3HZ LYS 8 -8.409 -0.019 8.837 61 H ARG 9 H ARG 9 -9.646 -3.891 4.718 62 HA ARG 9 HA ARG 9 -7.205 -5.341 4.520 63 HB2 ARG 9 2HB ARG 9 -10.045 -6.390 4.174 64 HB3 ARG 9 3HB ARG 9 -8.605 -7.377 4.444 65 HG2 ARG 9 2HG ARG 9 -8.313 -6.126 6.648 66 HG3 ARG 9 3HG ARG 9 -9.921 -5.446 6.380 67 HD2 ARG 9 2HD ARG 9 -9.225 -8.389 6.646 68 HD3 ARG 9 3HD ARG 9 -10.016 -7.393 7.869 69 HE ARG 9 HE ARG 9 -11.250 -7.968 5.234 70 HH11 ARG 9 1HH1 ARG 9 -11.522 -7.860 8.743 71 HH12 ARG 9 2HH1 ARG 9 -13.200 -8.299 8.744 72 HH21 ARG 9 1HH2 ARG 9 -13.430 -8.601 5.258 73 HH22 ARG 9 2HH2 ARG 9 -14.279 -8.719 6.766 74 H GLN 10 H GLN 10 -9.652 -4.412 2.152 75 HA GLN 10 HA GLN 10 -8.536 -5.888 -0.051 76 HB2 GLN 10 2HB GLN 10 -10.421 -3.488 -0.092 77 HB3 GLN 10 3HB GLN 10 -10.032 -4.502 -1.480 78 HG2 GLN 10 2HG GLN 10 -11.015 -6.455 -0.209 79 HG3 GLN 10 3HG GLN 10 -11.568 -5.310 1.009 80 HE21 GLN 10 1HE2 GLN 10 -13.227 -3.803 0.425 81 HE22 GLN 10 2HE2 GLN 10 -14.228 -4.058 -0.953 82 H VAL 11 H VAL 11 -8.134 -2.617 1.255 83 HA VAL 11 HA VAL 11 -6.686 -1.510 -0.946 84 HB VAL 11 HB VAL 11 -6.784 -0.554 1.958 85 HG11 VAL 11 1HG1 VAL 11 -5.979 0.971 -0.541 86 HG12 VAL 11 2HG1 VAL 11 -4.879 0.438 0.728 87 HG13 VAL 11 3HG1 VAL 11 -6.110 1.654 1.081 88 HG21 VAL 11 1HG2 VAL 11 -9.013 -0.665 0.918 89 HG22 VAL 11 2HG2 VAL 11 -8.447 0.317 -0.426 90 HG23 VAL 11 3HG2 VAL 11 -8.528 1.001 1.194 91 H LYS 12 H LYS 12 -5.677 -2.876 2.185 92 HA LYS 12 HA LYS 12 -2.894 -2.490 1.986 93 HB2 LYS 12 2HB LYS 12 -4.458 -4.624 3.494 94 HB3 LYS 12 3HB LYS 12 -2.733 -4.328 3.700 95 HG2 LYS 12 2HG LYS 12 -3.217 -2.068 4.554 96 HG3 LYS 12 3HG LYS 12 -4.950 -2.354 4.350 97 HD2 LYS 12 2HD LYS 12 -3.093 -3.948 6.166 98 HD3 LYS 12 3HD LYS 12 -4.220 -2.704 6.704 99 HE2 LYS 12 2HE LYS 12 -6.122 -4.056 6.126 100 HE3 LYS 12 3HE LYS 12 -5.117 -5.215 5.254 101 HZ1 LYS 12 1HZ LYS 12 -4.052 -5.779 7.366 102 HZ2 LYS 12 2HZ LYS 12 -5.711 -6.095 7.382 103 HZ3 LYS 12 3HZ LYS 12 -5.104 -4.735 8.180 104 H GLN 13 H GLN 13 -5.078 -5.060 0.953 105 HA GLN 13 HA GLN 13 -3.177 -6.960 0.085 106 HB2 GLN 13 2HB GLN 13 -5.539 -7.559 0.431 107 HB3 GLN 13 3HB GLN 13 -6.050 -6.457 -0.840 108 HG2 GLN 13 2HG GLN 13 -4.880 -7.863 -2.515 109 HG3 GLN 13 3HG GLN 13 -4.382 -8.957 -1.228 110 HE21 GLN 13 1HE2 GLN 13 -7.603 -7.468 -1.449 111 HE22 GLN 13 2HE2 GLN 13 -8.443 -8.946 -1.755 112 H VAL 14 H VAL 14 -5.059 -4.536 -1.834 113 HA VAL 14 HA VAL 14 -3.809 -4.936 -4.311 114 HB VAL 14 HB VAL 14 -5.009 -2.348 -3.189 115 HG11 VAL 14 1HG1 VAL 14 -5.238 -1.591 -5.544 116 HG12 VAL 14 2HG1 VAL 14 -4.369 -3.027 -6.090 117 HG13 VAL 14 3HG1 VAL 14 -3.541 -1.821 -5.104 118 HG21 VAL 14 1HG2 VAL 14 -7.042 -2.966 -4.461 119 HG22 VAL 14 2HG2 VAL 14 -6.628 -4.222 -3.293 120 HG23 VAL 14 3HG2 VAL 14 -6.258 -4.458 -4.999 121 H ALA 15 H ALA 15 -2.950 -2.822 -1.619 122 HA ALA 15 HA ALA 15 -0.860 -1.341 -2.745 123 HB1 ALA 15 1HB ALA 15 -2.026 -0.710 -0.666 124 HB2 ALA 15 2HB ALA 15 -0.279 -0.772 -0.420 125 HB3 ALA 15 3HB ALA 15 -1.304 -2.086 0.167 126 H LYS 16 H LYS 16 -0.787 -4.389 -0.883 127 HA LYS 16 HA LYS 16 2.078 -4.553 -0.871 128 HB2 LYS 16 2HB LYS 16 1.826 -6.635 0.302 129 HB3 LYS 16 3HB LYS 16 0.663 -5.501 0.949 130 HG2 LYS 16 2HG LYS 16 -1.099 -6.642 -0.404 131 HG3 LYS 16 3HG LYS 16 0.099 -7.837 -0.902 132 HD2 LYS 16 2HD LYS 16 -0.866 -7.293 1.938 133 HD3 LYS 16 3HD LYS 16 -1.235 -8.711 0.955 134 HE2 LYS 16 2HE LYS 16 1.214 -9.286 0.960 135 HE3 LYS 16 3HE LYS 16 1.490 -7.933 2.060 136 HZ1 LYS 16 1HZ LYS 16 1.295 -10.009 3.257 137 HZ2 LYS 16 2HZ LYS 16 -0.238 -10.286 2.609 138 HZ3 LYS 16 3HZ LYS 16 0.013 -8.988 3.655 139 H GLU 17 H GLU 17 -0.502 -5.830 -2.897 140 HA GLU 17 HA GLU 17 1.031 -7.682 -4.394 141 HB2 GLU 17 2HB GLU 17 -1.476 -6.123 -5.160 142 HB3 GLU 17 3HB GLU 17 -0.779 -7.398 -6.153 143 HG2 GLU 17 2HG GLU 17 -1.862 -7.763 -3.344 144 HG3 GLU 17 3HG GLU 17 -2.729 -8.151 -4.826 145 H LYS 18 H LYS 18 0.416 -4.183 -4.744 146 HA LYS 18 HA LYS 18 1.660 -3.711 -7.212 147 HB2 LYS 18 2HB LYS 18 1.577 -1.856 -4.792 148 HB3 LYS 18 3HB LYS 18 2.006 -1.359 -6.425 149 HG2 LYS 18 2HG LYS 18 -0.688 -2.331 -5.463 150 HG3 LYS 18 3HG LYS 18 -0.263 -0.691 -5.941 151 HD2 LYS 18 2HD LYS 18 -0.316 -3.112 -7.792 152 HD3 LYS 18 3HD LYS 18 -1.577 -1.885 -7.676 153 HE2 LYS 18 2HE LYS 18 -0.146 -0.191 -8.580 154 HE3 LYS 18 3HE LYS 18 1.285 -1.213 -8.419 155 HZ1 LYS 18 1HZ LYS 18 0.553 -1.172 -10.680 156 HZ2 LYS 18 2HZ LYS 18 -0.997 -1.670 -10.243 157 HZ3 LYS 18 3HZ LYS 18 0.308 -2.722 -10.049 158 H LEU 19 H LEU 19 2.988 -3.588 -3.921 159 HA LEU 19 HA LEU 19 5.652 -2.949 -4.639 160 HB2 LEU 19 2HB LEU 19 4.562 -4.233 -2.110 161 HB3 LEU 19 3HB LEU 19 6.193 -3.603 -2.288 162 HG LEU 19 HG LEU 19 3.602 -2.013 -2.271 163 HD11 LEU 19 1HD1 LEU 19 4.584 -0.899 -0.320 164 HD12 LEU 19 2HD1 LEU 19 6.003 -1.945 -0.426 165 HD13 LEU 19 3HD1 LEU 19 4.420 -2.635 -0.065 166 HD21 LEU 19 1HD2 LEU 19 5.016 -1.046 -4.001 167 HD22 LEU 19 2HD2 LEU 19 6.391 -0.986 -2.895 168 HD23 LEU 19 3HD2 LEU 19 4.971 0.020 -2.598 169 H LEU 20 H LEU 20 3.967 -6.004 -4.355 170 HA LEU 20 HA LEU 20 6.337 -7.657 -4.528 171 HB2 LEU 20 2HB LEU 20 3.377 -8.308 -4.771 172 HB3 LEU 20 3HB LEU 20 4.637 -9.525 -4.900 173 HG LEU 20 HG LEU 20 4.179 -7.805 -2.429 174 HD11 LEU 20 1HD1 LEU 20 3.209 -9.784 -1.367 175 HD12 LEU 20 2HD1 LEU 20 3.348 -10.685 -2.880 176 HD13 LEU 20 3HD1 LEU 20 2.266 -9.291 -2.775 177 HD21 LEU 20 1HD2 LEU 20 5.697 -9.386 -1.305 178 HD22 LEU 20 2HD2 LEU 20 6.500 -8.551 -2.630 179 HD23 LEU 20 3HD2 LEU 20 5.972 -10.225 -2.834 180 H GLU 21 H GLU 21 4.083 -6.215 -6.842 181 HA GLU 21 HA GLU 21 4.943 -7.692 -9.156 182 HB2 GLU 21 2HB GLU 21 3.617 -4.957 -8.917 183 HB3 GLU 21 3HB GLU 21 3.945 -5.748 -10.455 184 HG2 GLU 21 2HG GLU 21 2.430 -7.589 -9.853 185 HG3 GLU 21 3HG GLU 21 2.121 -6.836 -8.291 186 H GLN 22 H GLN 22 5.853 -4.607 -7.677 187 HA GLN 22 HA GLN 22 7.847 -3.815 -9.551 188 HB2 GLN 22 2HB GLN 22 7.394 -3.015 -6.640 189 HB3 GLN 22 3HB GLN 22 8.536 -2.211 -7.717 190 HG2 GLN 22 2HG GLN 22 6.750 -1.434 -9.143 191 HG3 GLN 22 3HG GLN 22 5.556 -2.379 -8.252 192 HE21 GLN 22 1HE2 GLN 22 4.944 -1.683 -6.174 193 HE22 GLN 22 2HE2 GLN 22 5.238 -0.075 -5.625 194 H SER 23 H SER 23 7.936 -5.594 -6.493 195 HA SER 23 HA SER 23 10.603 -6.636 -7.082 196 HB2 SER 23 2HB SER 23 10.995 -4.561 -5.739 197 HB3 SER 23 3HB SER 23 9.978 -5.211 -4.453 198 HG SER 23 HG SER 23 11.622 -6.302 -3.790 199 HA PRO 24 HA PRO 24 7.981 -10.017 -5.267 200 HB2 PRO 24 2HB PRO 24 8.636 -11.955 -7.054 201 HB3 PRO 24 3HB PRO 24 7.461 -10.687 -7.470 202 HG2 PRO 24 2HG PRO 24 10.371 -10.863 -8.214 203 HG3 PRO 24 3HG PRO 24 8.976 -10.425 -9.228 204 HD2 PRO 24 2HD PRO 24 10.644 -8.558 -8.067 205 HD3 PRO 24 3HD PRO 24 8.946 -8.233 -8.478 206 H ASN 25 H ASN 25 11.217 -9.284 -5.540 207 HA ASN 25 HA ASN 25 12.322 -11.728 -4.340 208 HB2 ASN 25 2HB ASN 25 13.673 -9.174 -5.342 209 HB3 ASN 25 3HB ASN 25 14.514 -10.621 -4.788 210 HD21 ASN 25 1HD2 ASN 25 14.600 -12.428 -6.159 211 HD22 ASN 25 2HD2 ASN 25 14.106 -12.368 -7.810 212 H SER 26 H SER 26 10.567 -9.482 -3.008 213 HA SER 26 HA SER 26 12.274 -9.074 -0.620 214 HB2 SER 26 2HB SER 26 11.358 -6.739 -0.461 215 HB3 SER 26 3HB SER 26 12.365 -6.989 -1.888 216 HG SER 26 HG SER 26 9.600 -7.393 -2.126 217 H LYS 27 H LYS 27 11.169 -9.005 1.347 218 HA LYS 27 HA LYS 27 8.432 -10.034 1.349 219 HB2 LYS 27 2HB LYS 27 10.382 -9.592 3.635 220 HB3 LYS 27 3HB LYS 27 8.774 -10.282 3.811 221 HG2 LYS 27 2HG LYS 27 11.038 -11.507 2.199 222 HG3 LYS 27 3HG LYS 27 10.565 -11.974 3.822 223 HD2 LYS 27 2HD LYS 27 9.474 -13.625 2.614 224 HD3 LYS 27 3HD LYS 27 8.194 -12.419 2.684 225 HE2 LYS 27 2HE LYS 27 8.813 -11.660 0.402 226 HE3 LYS 27 3HE LYS 27 10.093 -12.871 0.353 227 HZ1 LYS 27 1HZ LYS 27 7.193 -13.426 0.576 228 HZ2 LYS 27 2HZ LYS 27 8.413 -14.590 0.546 229 HZ3 LYS 27 3HZ LYS 27 8.139 -13.620 -0.809 230 H VAL 28 H VAL 28 6.858 -8.722 1.339 231 HA VAL 28 HA VAL 28 7.053 -5.927 2.241 232 HB VAL 28 HB VAL 28 4.955 -7.293 0.481 233 HG11 VAL 28 1HG1 VAL 28 5.282 -4.343 1.160 234 HG12 VAL 28 2HG1 VAL 28 3.978 -5.393 1.717 235 HG13 VAL 28 3HG1 VAL 28 4.127 -5.004 0.001 236 HG21 VAL 28 1HG2 VAL 28 5.974 -6.042 -1.390 237 HG22 VAL 28 2HG2 VAL 28 7.150 -7.127 -0.640 238 HG23 VAL 28 3HG2 VAL 28 7.200 -5.394 -0.296 239 H GLN 29 H GLN 29 6.151 -5.422 4.099 240 HA GLN 29 HA GLN 29 3.951 -6.990 5.322 241 HB2 GLN 29 2HB GLN 29 6.030 -5.163 6.638 242 HB3 GLN 29 3HB GLN 29 4.728 -5.986 7.490 243 HG2 GLN 29 2HG GLN 29 7.026 -7.349 6.050 244 HG3 GLN 29 3HG GLN 29 6.914 -7.096 7.789 245 HE21 GLN 29 1HE2 GLN 29 5.814 -8.993 5.100 246 HE22 GLN 29 2HE2 GLN 29 4.964 -10.183 6.020 247 H VAL 30 H VAL 30 2.385 -5.558 6.542 248 HA VAL 30 HA VAL 30 2.131 -2.837 5.394 249 HB VAL 30 HB VAL 30 0.045 -4.518 6.859 250 HG11 VAL 30 1HG1 VAL 30 -0.213 -1.768 5.581 251 HG12 VAL 30 2HG1 VAL 30 -0.293 -2.130 7.306 252 HG13 VAL 30 3HG1 VAL 30 -1.553 -2.718 6.223 253 HG21 VAL 30 1HG2 VAL 30 0.508 -5.388 4.588 254 HG22 VAL 30 2HG2 VAL 30 0.226 -3.785 3.902 255 HG23 VAL 30 3HG2 VAL 30 -1.103 -4.666 4.662 256 H ARG 31 H ARG 31 3.007 -1.310 6.656 257 HA ARG 31 HA ARG 31 3.822 -1.942 9.369 258 HB2 ARG 31 2HB ARG 31 5.350 -0.820 7.706 259 HB3 ARG 31 3HB ARG 31 4.319 0.608 7.767 260 HG2 ARG 31 2HG ARG 31 6.253 0.945 9.200 261 HG3 ARG 31 3HG ARG 31 4.803 0.828 10.200 262 HD2 ARG 31 2HD ARG 31 5.433 -1.689 10.466 263 HD3 ARG 31 3HD ARG 31 7.013 -1.216 9.829 264 HE ARG 31 HE ARG 31 6.049 0.340 12.078 265 HH11 ARG 31 1HH1 ARG 31 7.980 -2.469 11.143 266 HH12 ARG 31 2HH1 ARG 31 8.847 -2.494 12.646 267 HH21 ARG 31 1HH2 ARG 31 7.200 0.290 13.993 268 HH22 ARG 31 2HH2 ARG 31 8.405 -0.929 14.259 269 H ARG 32 H ARG 32 1.685 0.408 7.780 270 HA ARG 32 HA ARG 32 0.027 0.808 10.090 271 HB2 ARG 32 2HB ARG 32 2.032 2.256 10.609 272 HB3 ARG 32 3HB ARG 32 1.762 3.150 9.124 273 HG2 ARG 32 2HG ARG 32 -0.476 3.060 11.140 274 HG3 ARG 32 3HG ARG 32 0.937 4.038 11.525 275 HD2 ARG 32 2HD ARG 32 0.595 5.227 9.307 276 HD3 ARG 32 3HD ARG 32 -0.938 4.366 9.155 277 HE ARG 32 HE ARG 32 -1.535 5.447 11.353 278 HH11 ARG 32 1HH1 ARG 32 0.686 7.041 9.136 279 HH12 ARG 32 2HH1 ARG 32 0.330 8.629 9.739 280 HH21 ARG 32 1HH2 ARG 32 -1.917 7.522 12.182 281 HH22 ARG 32 2HH2 ARG 32 -1.138 8.896 11.459 282 H VAL 33 H VAL 33 -1.965 1.747 9.441 283 HA VAL 33 HA VAL 33 -2.290 2.412 6.560 284 HB VAL 33 HB VAL 33 -4.427 1.241 8.407 285 HG11 VAL 33 1HG1 VAL 33 -5.729 0.866 6.330 286 HG12 VAL 33 2HG1 VAL 33 -4.445 1.635 5.393 287 HG13 VAL 33 3HG1 VAL 33 -5.364 2.581 6.564 288 HG21 VAL 33 1HG2 VAL 33 -4.145 -0.898 7.215 289 HG22 VAL 33 2HG2 VAL 33 -2.651 -0.427 8.033 290 HG23 VAL 33 3HG2 VAL 33 -2.809 -0.209 6.288 291 H GLN 34 H GLN 34 -3.402 4.325 6.087 292 HA GLN 34 HA GLN 34 -4.662 5.817 8.297 293 HB2 GLN 34 2HB GLN 34 -2.364 6.731 7.986 294 HB3 GLN 34 3HB GLN 34 -2.719 7.046 6.287 295 HG2 GLN 34 2HG GLN 34 -2.895 9.093 7.670 296 HG3 GLN 34 3HG GLN 34 -4.427 8.680 6.903 297 HE21 GLN 34 1HE2 GLN 34 -2.709 8.828 9.940 298 HE22 GLN 34 2HE2 GLN 34 -4.097 8.674 10.954 299 H LYS 35 H LYS 35 -6.708 6.042 7.736 300 HA LYS 35 HA LYS 35 -7.631 6.047 4.967 301 HB2 LYS 35 2HB LYS 35 -8.693 4.851 7.126 302 HB3 LYS 35 3HB LYS 35 -9.444 6.415 7.383 303 HG2 LYS 35 2HG LYS 35 -9.771 4.646 4.946 304 HG3 LYS 35 3HG LYS 35 -10.954 4.860 6.234 305 HD2 LYS 35 2HD LYS 35 -11.274 7.210 5.574 306 HD3 LYS 35 3HD LYS 35 -10.010 7.065 4.349 307 HE2 LYS 35 2HE LYS 35 -12.212 6.937 3.309 308 HE3 LYS 35 3HE LYS 35 -11.388 5.386 3.152 309 HZ1 LYS 35 1HZ LYS 35 -12.700 4.536 4.967 310 HZ2 LYS 35 2HZ LYS 35 -13.716 5.163 3.776 311 HZ3 LYS 35 3HZ LYS 35 -13.442 6.040 5.191 312 H GLN 36 H GLN 36 -7.696 7.994 3.899 313 HA GLN 36 HA GLN 36 -8.529 10.441 5.347 314 HB2 GLN 36 2HB GLN 36 -6.326 10.220 3.244 315 HB3 GLN 36 3HB GLN 36 -6.957 11.746 3.859 316 HG2 GLN 36 2HG GLN 36 -6.112 11.259 6.085 317 HG3 GLN 36 3HG GLN 36 -5.611 9.644 5.583 318 HE21 GLN 36 1HE2 GLN 36 -4.912 13.065 5.328 319 HE22 GLN 36 2HE2 GLN 36 -3.298 12.889 4.734 320 H GLY 37 H GLY 37 -10.625 9.631 4.543 321 HA2 GLY 37 2HA GLY 37 -12.490 10.159 3.327 322 HA3 GLY 37 3HA GLY 37 -11.519 11.316 2.434 323 H ASN 38 H ASN 38 -10.800 10.798 0.402 324 HA ASN 38 HA ASN 38 -11.856 8.452 -0.954 325 HB2 ASN 38 2HB ASN 38 -10.086 10.758 -1.895 326 HB3 ASN 38 3HB ASN 38 -10.534 9.417 -2.943 327 HD21 ASN 38 1HD2 ASN 38 -12.676 9.245 -3.655 328 HD22 ASN 38 2HD2 ASN 38 -13.777 10.574 -3.557 329 H THR 39 H THR 39 -8.673 9.750 -0.067 330 HA THR 39 HA THR 39 -7.309 7.431 -1.240 331 HB THR 39 HB THR 39 -6.107 10.021 -0.176 332 HG1 THR 39 HG1 THR 39 -7.659 9.731 -2.276 333 HG21 THR 39 1HG2 THR 39 -4.172 9.431 -1.608 334 HG22 THR 39 2HG2 THR 39 -4.976 7.934 -2.087 335 HG23 THR 39 3HG2 THR 39 -4.468 8.163 -0.413 336 H ILE 40 H ILE 40 -7.179 5.786 0.191 337 HA ILE 40 HA ILE 40 -6.367 6.198 2.961 338 HB ILE 40 HB ILE 40 -6.733 3.599 1.400 339 HG12 ILE 40 2HG1 ILE 40 -8.624 5.077 3.286 340 HG13 ILE 40 3HG1 ILE 40 -8.859 4.818 1.561 341 HG21 ILE 40 1HG2 ILE 40 -6.735 2.489 3.612 342 HG22 ILE 40 2HG2 ILE 40 -6.431 4.038 4.398 343 HG23 ILE 40 3HG2 ILE 40 -5.210 3.338 3.335 344 HD11 ILE 40 1HD1 ILE 40 -8.852 2.669 3.681 345 HD12 ILE 40 2HD1 ILE 40 -9.122 2.432 1.954 346 HD13 ILE 40 3HD1 ILE 40 -10.266 3.372 2.899 347 H ARG 41 H ARG 41 -4.303 6.836 3.158 348 HA ARG 41 HA ARG 41 -2.131 5.843 1.505 349 HB2 ARG 41 2HB ARG 41 -2.224 7.735 3.892 350 HB3 ARG 41 3HB ARG 41 -0.718 7.235 3.126 351 HG2 ARG 41 2HG ARG 41 -1.608 8.184 0.958 352 HG3 ARG 41 3HG ARG 41 -2.962 8.846 1.875 353 HD2 ARG 41 2HD ARG 41 -1.546 10.313 3.106 354 HD3 ARG 41 3HD ARG 41 -0.082 9.451 2.615 355 HE ARG 41 HE ARG 41 -1.158 10.347 0.266 356 HH11 ARG 41 1HH1 ARG 41 -0.142 11.971 3.230 357 HH12 ARG 41 2HH1 ARG 41 0.288 13.437 2.407 358 HH21 ARG 41 1HH2 ARG 41 -0.521 12.222 -0.790 359 HH22 ARG 41 2HH2 ARG 41 0.073 13.580 0.117 360 H VAL 42 H VAL 42 -1.976 3.683 1.883 361 HA VAL 42 HA VAL 42 -1.610 2.626 4.585 362 HB VAL 42 HB VAL 42 -1.350 1.154 1.916 363 HG11 VAL 42 1HG1 VAL 42 -0.238 -0.006 3.801 364 HG12 VAL 42 2HG1 VAL 42 -1.656 -0.903 3.254 365 HG13 VAL 42 3HG1 VAL 42 -1.737 0.060 4.733 366 HG21 VAL 42 1HG2 VAL 42 -3.641 0.313 2.324 367 HG22 VAL 42 2HG2 VAL 42 -3.611 2.067 2.122 368 HG23 VAL 42 3HG2 VAL 42 -3.771 1.366 3.736 369 H GLU 43 H GLU 43 0.334 2.976 5.450 370 HA GLU 43 HA GLU 43 2.799 3.184 3.915 371 HB2 GLU 43 2HB GLU 43 2.193 3.331 6.895 372 HB3 GLU 43 3HB GLU 43 3.806 3.548 6.213 373 HG2 GLU 43 2HG GLU 43 3.000 5.497 4.931 374 HG3 GLU 43 3HG GLU 43 1.379 5.269 5.588 375 H LEU 44 H LEU 44 3.541 1.278 3.183 376 HA LEU 44 HA LEU 44 3.451 -1.147 4.843 377 HB2 LEU 44 2HB LEU 44 4.144 -0.850 1.904 378 HB3 LEU 44 3HB LEU 44 4.078 -2.365 2.789 379 HG LEU 44 HG LEU 44 1.551 -1.591 3.270 380 HD11 LEU 44 1HD1 LEU 44 2.139 -0.190 0.661 381 HD12 LEU 44 2HD1 LEU 44 1.736 0.584 2.194 382 HD13 LEU 44 3HD1 LEU 44 0.542 -0.424 1.380 383 HD21 LEU 44 1HD2 LEU 44 2.391 -2.797 0.627 384 HD22 LEU 44 2HD2 LEU 44 0.789 -2.910 1.364 385 HD23 LEU 44 3HD2 LEU 44 2.174 -3.671 2.145 386 H GLU 45 H GLU 45 5.406 -2.607 4.491 387 HA GLU 45 HA GLU 45 7.934 -1.106 4.770 388 HB2 GLU 45 2HB GLU 45 7.019 -1.601 6.989 389 HB3 GLU 45 3HB GLU 45 6.783 -3.291 6.553 390 HG2 GLU 45 2HG GLU 45 9.250 -3.560 6.361 391 HG3 GLU 45 3HG GLU 45 9.451 -1.880 6.865 392 H LEU 46 H LEU 46 8.991 -1.777 2.969 393 HA LEU 46 HA LEU 46 8.881 -4.604 2.102 394 HB2 LEU 46 2HB LEU 46 8.086 -2.865 0.509 395 HB3 LEU 46 3HB LEU 46 9.642 -2.074 0.582 396 HG LEU 46 HG LEU 46 9.446 -4.928 -0.453 397 HD11 LEU 46 1HD1 LEU 46 7.787 -3.669 -1.746 398 HD12 LEU 46 2HD1 LEU 46 9.181 -4.076 -2.746 399 HD13 LEU 46 3HD1 LEU 46 8.992 -2.433 -2.120 400 HD21 LEU 46 1HD2 LEU 46 11.355 -2.655 -1.091 401 HD22 LEU 46 2HD2 LEU 46 11.423 -4.284 -1.772 402 HD23 LEU 46 3HD2 LEU 46 11.702 -4.036 -0.050 403 H ARG 47 H ARG 47 10.834 -5.729 1.768 404 HA ARG 47 HA ARG 47 13.220 -4.550 3.094 405 HB2 ARG 47 2HB ARG 47 12.257 -7.435 2.901 406 HB3 ARG 47 3HB ARG 47 13.820 -6.972 3.571 407 HG2 ARG 47 2HG ARG 47 12.859 -5.926 5.446 408 HG3 ARG 47 3HG ARG 47 11.274 -5.790 4.691 409 HD2 ARG 47 2HD ARG 47 10.893 -8.177 4.943 410 HD3 ARG 47 3HD ARG 47 12.541 -8.424 5.518 411 HE ARG 47 HE ARG 47 11.792 -7.959 7.597 412 HH11 ARG 47 1HH1 ARG 47 9.600 -6.204 5.431 413 HH12 ARG 47 2HH1 ARG 47 8.641 -5.596 6.742 414 HH21 ARG 47 1HH2 ARG 47 10.510 -7.142 9.258 415 HH22 ARG 47 2HH2 ARG 47 9.149 -6.121 8.892 416 H THR 48 H THR 48 14.306 -3.707 1.397 417 HA THR 48 HA THR 48 14.861 -5.196 -1.056 418 HB THR 48 HB THR 48 15.747 -2.400 -0.195 419 HG1 THR 48 HG1 THR 48 13.889 -1.739 -0.920 420 HG21 THR 48 1HG2 THR 48 16.241 -2.022 -2.579 421 HG22 THR 48 2HG2 THR 48 15.754 -3.671 -2.968 422 HG23 THR 48 3HG2 THR 48 17.192 -3.392 -1.984 423 H ASN 49 H ASN 49 16.370 -6.764 -0.679 424 HA ASN 49 HA ASN 49 18.386 -7.751 -0.472 425 HB2 ASN 49 2HB ASN 49 19.078 -5.641 -1.769 426 HB3 ASN 49 3HB ASN 49 19.591 -4.948 -0.237 427 HD21 ASN 49 1HD2 ASN 49 20.153 -7.563 -2.515 428 HD22 ASN 49 2HD2 ASN 49 21.787 -7.858 -2.044 429 H GLY 50 H GLY 50 16.731 -7.172 1.859 430 HA2 GLY 50 2HA GLY 50 16.943 -7.886 4.084 431 HA3 GLY 50 3HA GLY 50 18.677 -7.621 4.012 432 H LYS 51 H LYS 51 17.738 -4.867 2.718 433 HA LYS 51 HA LYS 51 17.702 -3.385 5.259 434 HB2 LYS 51 2HB LYS 51 18.094 -2.428 2.375 435 HB3 LYS 51 3HB LYS 51 18.046 -1.359 3.773 436 HG2 LYS 51 2HG LYS 51 20.340 -1.651 3.279 437 HG3 LYS 51 3HG LYS 51 20.022 -2.645 4.704 438 HD2 LYS 51 2HD LYS 51 19.840 -4.656 3.173 439 HD3 LYS 51 3HD LYS 51 20.324 -3.617 1.830 440 HE2 LYS 51 2HE LYS 51 22.462 -3.150 3.003 441 HE3 LYS 51 3HE LYS 51 21.974 -4.241 4.300 442 HZ1 LYS 51 1HZ LYS 51 21.933 -6.057 2.734 443 HZ2 LYS 51 2HZ LYS 51 23.447 -5.303 2.697 444 HZ3 LYS 51 3HZ LYS 51 22.334 -5.022 1.458 445 H LYS 52 H LYS 52 16.154 -1.697 5.590 446 HA LYS 52 HA LYS 52 13.478 -2.506 4.680 447 HB2 LYS 52 2HB LYS 52 14.004 -2.536 7.110 448 HB3 LYS 52 3HB LYS 52 14.343 -0.810 7.044 449 HG2 LYS 52 2HG LYS 52 11.907 -0.522 6.239 450 HG3 LYS 52 3HG LYS 52 11.675 -2.205 6.722 451 HD2 LYS 52 2HD LYS 52 10.957 -0.774 8.542 452 HD3 LYS 52 3HD LYS 52 12.437 -1.605 9.030 453 HE2 LYS 52 2HE LYS 52 13.746 0.443 8.475 454 HE3 LYS 52 3HE LYS 52 12.246 1.261 8.027 455 HZ1 LYS 52 1HZ LYS 52 11.467 1.012 10.283 456 HZ2 LYS 52 2HZ LYS 52 12.956 1.811 10.271 457 HZ3 LYS 52 3HZ LYS 52 12.874 0.183 10.719 458 H GLU 53 H GLU 53 12.693 -1.310 3.040 459 HA GLU 53 HA GLU 53 12.781 1.656 3.190 460 HB2 GLU 53 2HB GLU 53 12.479 -0.089 0.692 461 HB3 GLU 53 3HB GLU 53 12.318 1.666 0.722 462 HG2 GLU 53 2HG GLU 53 14.697 1.818 1.496 463 HG3 GLU 53 3HG GLU 53 14.835 0.071 1.294 464 H ASN 54 H ASN 54 10.873 2.282 4.040 465 HA ASN 54 HA ASN 54 8.428 0.741 3.813 466 HB2 ASN 54 2HB ASN 54 8.998 3.464 5.079 467 HB3 ASN 54 3HB ASN 54 7.439 2.646 5.159 468 HD21 ASN 54 1HD2 ASN 54 7.214 0.832 6.506 469 HD22 ASN 54 2HD2 ASN 54 8.389 0.426 7.710 470 H TYR 55 H TYR 55 6.912 0.984 2.232 471 HA TYR 55 HA TYR 55 6.990 3.382 0.469 472 HB2 TYR 55 2HB TYR 55 6.074 0.540 -0.147 473 HB3 TYR 55 3HB TYR 55 5.840 1.898 -1.235 474 HD1 TYR 55 HD1 TYR 55 7.517 2.425 -2.831 475 HD2 TYR 55 HD2 TYR 55 8.527 -0.082 0.471 476 HE1 TYR 55 HE1 TYR 55 9.696 1.943 -3.861 477 HE2 TYR 55 HE2 TYR 55 10.701 -0.557 -0.548 478 HH TYR 55 HH TYR 55 11.977 1.221 -3.086 479 H THR 56 H THR 56 5.349 4.708 0.893 480 HA THR 56 HA THR 56 2.827 3.857 2.047 481 HB THR 56 HB THR 56 3.717 6.615 1.094 482 HG1 THR 56 HG1 THR 56 4.464 5.150 3.247 483 HG21 THR 56 1HG2 THR 56 1.454 5.808 2.965 484 HG22 THR 56 2HG2 THR 56 1.261 6.463 1.334 485 HG23 THR 56 3HG2 THR 56 1.946 7.464 2.619 486 H VAL 57 H VAL 57 1.609 2.752 0.571 487 HA VAL 57 HA VAL 57 1.361 3.657 -2.201 488 HB VAL 57 HB VAL 57 0.119 1.219 -0.850 489 HG11 VAL 57 1HG1 VAL 57 -1.139 1.927 -2.848 490 HG12 VAL 57 2HG1 VAL 57 -0.296 0.409 -3.158 491 HG13 VAL 57 3HG1 VAL 57 0.345 1.921 -3.801 492 HG21 VAL 57 1HG2 VAL 57 1.877 -0.107 -1.978 493 HG22 VAL 57 2HG2 VAL 57 2.584 1.063 -0.859 494 HG23 VAL 57 3HG2 VAL 57 2.605 1.379 -2.595 495 H GLU 58 H GLU 58 0.061 5.277 -2.423 496 HA GLU 58 HA GLU 58 -2.226 5.888 -0.737 497 HB2 GLU 58 2HB GLU 58 -1.196 7.322 -3.233 498 HB3 GLU 58 3HB GLU 58 -2.262 7.991 -1.997 499 HG2 GLU 58 2HG GLU 58 -0.474 8.029 -0.372 500 HG3 GLU 58 3HG GLU 58 0.586 7.108 -1.435 501 H VAL 59 H VAL 59 -3.948 4.568 -1.185 502 HA VAL 59 HA VAL 59 -4.739 4.070 -4.002 503 HB VAL 59 HB VAL 59 -5.621 2.458 -1.570 504 HG11 VAL 59 1HG1 VAL 59 -6.242 0.741 -3.246 505 HG12 VAL 59 2HG1 VAL 59 -5.732 1.831 -4.537 506 HG13 VAL 59 3HG1 VAL 59 -7.103 2.262 -3.514 507 HG21 VAL 59 1HG2 VAL 59 -3.309 1.821 -3.438 508 HG22 VAL 59 2HG2 VAL 59 -3.950 0.735 -2.201 509 HG23 VAL 59 3HG2 VAL 59 -3.177 2.253 -1.729 510 H GLU 60 H GLU 60 -6.581 5.038 -4.657 511 HA GLU 60 HA GLU 60 -8.280 6.468 -2.724 512 HB2 GLU 60 2HB GLU 60 -7.224 7.917 -4.336 513 HB3 GLU 60 3HB GLU 60 -7.704 6.882 -5.676 514 HG2 GLU 60 2HG GLU 60 -10.070 7.489 -5.305 515 HG3 GLU 60 3HG GLU 60 -9.597 8.508 -3.946 516 H ARG 61 H ARG 61 -10.457 6.146 -2.660 517 HA ARG 61 HA ARG 61 -11.695 3.914 -4.012 518 HB2 ARG 61 2HB ARG 61 -12.282 4.577 -1.661 519 HB3 ARG 61 3HB ARG 61 -12.958 6.083 -2.269 520 HG2 ARG 61 2HG ARG 61 -14.744 4.493 -1.815 521 HG3 ARG 61 3HG ARG 61 -14.651 4.787 -3.553 522 HD2 ARG 61 2HD ARG 61 -13.604 2.657 -3.941 523 HD3 ARG 61 3HD ARG 61 -13.333 2.401 -2.212 524 HE ARG 61 HE ARG 61 -16.104 2.643 -3.154 525 HH11 ARG 61 1HH1 ARG 61 -13.550 0.532 -2.030 526 HH12 ARG 61 2HH1 ARG 61 -14.620 -0.778 -1.660 527 HH21 ARG 61 1HH2 ARG 61 -17.504 0.902 -2.685 528 HH22 ARG 61 2HH2 ARG 61 -16.854 -0.569 -2.032 529 H GLN 62 H GLN 62 -12.129 4.187 -6.119 530 HA GLN 62 HA GLN 62 -13.634 6.585 -7.014 531 HB2 GLN 62 2HB GLN 62 -11.738 4.753 -8.551 532 HB3 GLN 62 3HB GLN 62 -12.875 5.811 -9.371 533 HG2 GLN 62 2HG GLN 62 -10.757 6.788 -7.434 534 HG3 GLN 62 3HG GLN 62 -10.546 6.723 -9.181 535 HE21 GLN 62 1HE2 GLN 62 -10.181 8.950 -9.258 536 HE22 GLN 62 2HE2 GLN 62 -11.459 10.102 -9.097 537 H GLY 63 H GLY 63 -15.677 6.004 -6.679 538 HA2 GLY 63 2HA GLY 63 -17.686 4.936 -6.877 539 HA3 GLY 63 3HA GLY 63 -16.985 3.939 -8.147 540 H ASN 64 H ASN 64 -16.578 1.850 -7.685 541 HA ASN 64 HA ASN 64 -16.496 0.924 -4.863 542 HB2 ASN 64 2HB ASN 64 -17.385 -0.535 -7.388 543 HB3 ASN 64 3HB ASN 64 -17.117 -1.353 -5.850 544 HD21 ASN 64 1HD2 ASN 64 -19.576 -0.997 -7.476 545 HD22 ASN 64 2HD2 ASN 64 -20.731 -0.300 -6.394 546 H THR 65 H THR 65 -14.667 1.354 -7.708 547 HA THR 65 HA THR 65 -12.842 -0.898 -7.267 548 HB THR 65 HB THR 65 -11.730 -0.126 -9.357 549 HG1 THR 65 HG1 THR 65 -12.846 2.199 -8.798 550 HG21 THR 65 1HG2 THR 65 -13.679 -1.638 -9.568 551 HG22 THR 65 2HG2 THR 65 -13.580 -0.535 -10.940 552 HG23 THR 65 3HG2 THR 65 -14.758 -0.240 -9.658 553 H TRP 66 H TRP 66 -11.010 -0.708 -6.111 554 HA TRP 66 HA TRP 66 -9.976 1.836 -5.158 555 HB2 TRP 66 2HB TRP 66 -9.030 -1.050 -4.816 556 HB3 TRP 66 3HB TRP 66 -8.224 0.333 -4.080 557 HD1 TRP 66 HD1 TRP 66 -11.065 -2.051 -3.466 558 HE1 TRP 66 HE1 TRP 66 -12.334 -1.351 -1.343 559 HE3 TRP 66 HE3 TRP 66 -9.003 2.592 -2.758 560 HZ2 TRP 66 HZ2 TRP 66 -12.466 0.869 0.387 561 HZ3 TRP 66 HZ3 TRP 66 -9.768 3.945 -0.846 562 HH2 TRP 66 HH2 TRP 66 -11.468 3.095 0.697 563 H THR 67 H THR 67 -8.261 2.932 -6.012 564 HA THR 67 HA THR 67 -6.732 1.744 -8.249 565 HB THR 67 HB THR 67 -8.560 3.054 -9.258 566 HG1 THR 67 HG1 THR 67 -7.067 3.478 -10.665 567 HG21 THR 67 1HG2 THR 67 -7.474 5.477 -7.770 568 HG22 THR 67 2HG2 THR 67 -9.001 4.662 -7.421 569 HG23 THR 67 3HG2 THR 67 -8.771 5.486 -8.966 570 H VAL 68 H VAL 68 -4.633 1.925 -7.871 571 HA VAL 68 HA VAL 68 -3.539 3.432 -5.688 572 HB VAL 68 HB VAL 68 -2.168 1.791 -7.863 573 HG11 VAL 68 1HG1 VAL 68 -0.179 1.765 -6.371 574 HG12 VAL 68 2HG1 VAL 68 -0.987 2.897 -5.285 575 HG13 VAL 68 3HG1 VAL 68 -0.565 3.398 -6.923 576 HG21 VAL 68 1HG2 VAL 68 -2.883 1.059 -4.999 577 HG22 VAL 68 2HG2 VAL 68 -2.010 0.034 -6.136 578 HG23 VAL 68 3HG2 VAL 68 -3.690 0.463 -6.451 579 H LYS 69 H LYS 69 -3.455 5.580 -5.912 580 HA LYS 69 HA LYS 69 -3.189 6.992 -8.381 581 HB2 LYS 69 2HB LYS 69 -2.915 8.007 -5.512 582 HB3 LYS 69 3HB LYS 69 -3.120 9.021 -6.942 583 HG2 LYS 69 2HG LYS 69 -5.133 7.008 -5.887 584 HG3 LYS 69 3HG LYS 69 -5.231 8.759 -5.698 585 HD2 LYS 69 2HD LYS 69 -5.256 7.309 -8.378 586 HD3 LYS 69 3HD LYS 69 -6.698 7.847 -7.517 587 HE2 LYS 69 2HE LYS 69 -4.488 9.710 -8.464 588 HE3 LYS 69 3HE LYS 69 -5.981 9.398 -9.349 589 HZ1 LYS 69 1HZ LYS 69 -5.723 10.668 -6.686 590 HZ2 LYS 69 2HZ LYS 69 -7.198 10.219 -7.375 591 HZ3 LYS 69 3HZ LYS 69 -6.239 11.395 -8.122 592 H ARG 70 H ARG 70 -1.018 6.529 -5.595 593 HA ARG 70 HA ARG 70 1.334 6.583 -7.265 594 HB2 ARG 70 2HB ARG 70 0.858 9.037 -6.946 595 HB3 ARG 70 3HB ARG 70 0.975 8.814 -5.202 596 HG2 ARG 70 2HG ARG 70 3.050 9.763 -6.105 597 HG3 ARG 70 3HG ARG 70 3.340 8.156 -5.433 598 HD2 ARG 70 2HD ARG 70 3.160 7.234 -7.790 599 HD3 ARG 70 3HD ARG 70 3.092 8.901 -8.371 600 HE ARG 70 HE ARG 70 5.370 8.417 -6.712 601 HH11 ARG 70 1HH1 ARG 70 4.173 7.953 -9.990 602 HH12 ARG 70 2HH1 ARG 70 5.762 7.910 -10.686 603 HH21 ARG 70 1HH2 ARG 70 7.437 8.371 -7.643 604 HH22 ARG 70 2HH2 ARG 70 7.608 8.147 -9.356 605 H ILE 71 H ILE 71 3.102 5.662 -6.253 606 HA ILE 71 HA ILE 71 2.809 4.728 -3.452 607 HB ILE 71 HB ILE 71 4.555 3.604 -5.697 608 HG12 ILE 71 2HG1 ILE 71 2.009 2.454 -4.468 609 HG13 ILE 71 3HG1 ILE 71 2.107 3.212 -6.050 610 HG21 ILE 71 1HG2 ILE 71 5.006 1.703 -4.156 611 HG22 ILE 71 2HG2 ILE 71 4.099 2.532 -2.890 612 HG23 ILE 71 3HG2 ILE 71 5.598 3.235 -3.499 613 HD11 ILE 71 1HD1 ILE 71 3.612 1.414 -6.784 614 HD12 ILE 71 2HD1 ILE 71 2.031 0.833 -6.268 615 HD13 ILE 71 3HD1 ILE 71 3.428 0.639 -5.207 616 H THR 72 H THR 72 3.778 6.247 -2.220 617 HA THR 72 HA THR 72 6.242 7.601 -3.080 618 HB THR 72 HB THR 72 4.405 8.214 -0.719 619 HG1 THR 72 HG1 THR 72 3.451 8.605 -2.803 620 HG21 THR 72 1HG2 THR 72 6.687 9.851 -1.906 621 HG22 THR 72 2HG2 THR 72 6.723 9.031 -0.339 622 HG23 THR 72 3HG2 THR 72 5.614 10.380 -0.617 623 H ARG 73 H ARG 73 7.986 6.393 -2.574 624 HA ARG 73 HA ARG 73 8.285 4.775 -0.220 625 HB2 ARG 73 2HB ARG 73 9.434 4.342 -2.398 626 HB3 ARG 73 3HB ARG 73 10.365 5.820 -2.173 627 HG2 ARG 73 2HG ARG 73 11.116 4.642 0.092 628 HG3 ARG 73 3HG ARG 73 10.605 3.172 -0.746 629 HD2 ARG 73 2HD ARG 73 12.994 3.559 -1.056 630 HD3 ARG 73 3HD ARG 73 12.143 3.711 -2.599 631 HE ARG 73 HE ARG 73 12.769 6.119 -0.997 632 HH11 ARG 73 1HH1 ARG 73 13.185 4.325 -3.985 633 HH12 ARG 73 2HH1 ARG 73 13.954 5.645 -4.808 634 HH21 ARG 73 1HH2 ARG 73 13.781 7.820 -2.056 635 HH22 ARG 73 2HH2 ARG 73 14.295 7.641 -3.703 636 H THR 74 H THR 74 9.605 5.214 1.597 637 HA THR 74 HA THR 74 10.059 7.955 2.385 638 HB THR 74 HB THR 74 9.409 6.180 4.047 639 HG1 THR 74 HG1 THR 74 10.550 7.148 5.586 640 HG21 THR 74 1HG2 THR 74 10.759 4.286 3.161 641 HG22 THR 74 2HG2 THR 74 11.080 4.571 4.875 642 HG23 THR 74 3HG2 THR 74 12.234 5.120 3.658 643 H VAL 75 H VAL 75 12.140 8.883 2.798 644 HA VAL 75 HA VAL 75 14.193 8.298 0.889 645 HB VAL 75 HB VAL 75 14.283 10.178 3.299 646 HG11 VAL 75 1HG1 VAL 75 16.088 10.106 0.850 647 HG12 VAL 75 2HG1 VAL 75 16.553 9.658 2.492 648 HG13 VAL 75 3HG1 VAL 75 16.134 11.332 2.121 649 HG21 VAL 75 1HG2 VAL 75 13.731 11.987 1.693 650 HG22 VAL 75 2HG2 VAL 75 12.447 10.778 1.768 651 HG23 VAL 75 3HG2 VAL 75 13.567 10.789 0.403 652 H GLY 76 H GLY 76 15.332 6.424 1.133 653 HA2 GLY 76 2HA GLY 76 17.227 6.018 3.182 654 HA3 GLY 76 3HA GLY 76 15.811 5.037 3.541 655 H SER 77 H SER 77 16.905 5.743 0.268 656 HA SER 77 HA SER 77 17.124 2.963 -0.441 657 HB2 SER 77 2HB SER 77 17.943 5.451 -2.006 658 HB3 SER 77 3HB SER 77 17.708 3.831 -2.673 659 HG SER 77 HG SER 77 15.499 4.255 -1.490 660 H LEU 78 H LEU 78 18.962 1.728 -0.732 661 HA LEU 78 HA LEU 78 21.497 2.683 0.294 662 HB2 LEU 78 2HB LEU 78 20.518 0.274 0.495 663 HB3 LEU 78 3HB LEU 78 21.092 0.038 -1.143 664 HG LEU 78 HG LEU 78 22.942 0.852 1.147 665 HD11 LEU 78 1HD1 LEU 78 23.624 -1.479 1.359 666 HD12 LEU 78 2HD1 LEU 78 22.411 -1.963 0.170 667 HD13 LEU 78 3HD1 LEU 78 21.907 -1.282 1.719 668 HD21 LEU 78 1HD2 LEU 78 23.613 -0.390 -1.549 669 HD22 LEU 78 2HD2 LEU 78 24.769 0.013 -0.273 670 HD23 LEU 78 3HD2 LEU 78 23.877 1.292 -1.092 671 H GLU 79 H GLU 79 22.385 4.198 -0.992 672 HA GLU 79 HA GLU 79 22.479 4.181 -3.836 673 HB2 GLU 79 2HB GLU 79 24.206 5.979 -3.558 674 HB3 GLU 79 3HB GLU 79 22.733 6.278 -2.640 675 HG2 GLU 79 2HG GLU 79 23.858 5.455 -0.589 676 HG3 GLU 79 3HG GLU 79 25.344 5.225 -1.514 677 H HIS 80 H HIS 80 23.732 2.990 -5.132 678 HA HIS 80 HA HIS 80 25.382 0.927 -3.941 679 HB2 HIS 80 2HB HIS 80 24.612 1.347 -6.861 680 HB3 HIS 80 3HB HIS 80 25.335 -0.108 -6.177 681 HD1 HIS 80 HD1 HIS 80 22.216 0.871 -7.346 682 HD2 HIS 80 HD2 HIS 80 23.444 -0.889 -3.782 683 HE1 HIS 80 HE1 HIS 80 20.177 -0.241 -6.399 684 HE2 HIS 80 HE2 HIS 80 20.981 -1.421 -4.326 685 H HIS 81 H HIS 81 27.224 1.987 -3.245 686 HA HIS 81 HA HIS 81 28.993 3.425 -4.998 687 HB2 HIS 81 2HB HIS 81 29.471 2.153 -2.263 688 HB3 HIS 81 3HB HIS 81 30.664 3.130 -3.117 689 HD1 HIS 81 HD1 HIS 81 28.646 3.560 -0.389 690 HD2 HIS 81 HD2 HIS 81 29.011 5.747 -3.902 691 HE1 HIS 81 HE1 HIS 81 27.790 5.856 0.151 692 HE2 HIS 81 HE2 HIS 81 27.810 7.074 -2.047 693 H HIS 82 H HIS 82 30.273 2.544 -6.496 694 HA HIS 82 HA HIS 82 30.840 -0.371 -6.414 695 HB2 HIS 82 2HB HIS 82 30.746 -0.402 -8.868 696 HB3 HIS 82 3HB HIS 82 29.237 0.206 -8.207 697 HD1 HIS 82 HD1 HIS 82 32.003 1.071 -10.480 698 HD2 HIS 82 HD2 HIS 82 28.834 3.055 -8.667 699 HE1 HIS 82 HE1 HIS 82 31.764 3.232 -11.719 700 HE2 HIS 82 HE2 HIS 82 29.984 4.493 -10.474 701 H HIS 83 H HIS 83 32.872 -0.849 -6.176 702 HA HIS 83 HA HIS 83 34.955 1.123 -6.109 703 HB2 HIS 83 2HB HIS 83 34.731 -0.689 -4.424 704 HB3 HIS 83 3HB HIS 83 35.060 -1.892 -5.664 705 HD1 HIS 83 HD1 HIS 83 37.287 -2.807 -5.043 706 HD2 HIS 83 HD2 HIS 83 37.227 1.342 -4.784 707 HE1 HIS 83 HE1 HIS 83 39.621 -2.132 -4.430 708 HE2 HIS 83 HE2 HIS 83 39.596 0.379 -4.441 709 H HIS 84 H HIS 84 34.020 -1.441 -8.376 710 HA HIS 84 HA HIS 84 36.498 -1.073 -9.953 711 HB2 HIS 84 2HB HIS 84 35.962 -3.090 -11.127 712 HB3 HIS 84 3HB HIS 84 35.644 -3.412 -9.431 713 HD1 HIS 84 HD1 HIS 84 34.053 -3.383 -12.766 714 HD2 HIS 84 HD2 HIS 84 32.816 -3.652 -8.815 715 HE1 HIS 84 HE1 HIS 84 31.719 -4.296 -12.839 716 HE2 HIS 84 HE2 HIS 84 30.927 -4.211 -10.462 717 H HIS 85 H HIS 85 36.013 -1.241 -12.461 718 HA HIS 85 HA HIS 85 34.470 1.077 -13.204 719 HB2 HIS 85 2HB HIS 85 36.574 0.700 -14.361 720 HB3 HIS 85 3HB HIS 85 36.067 -0.905 -14.881 721 HD1 HIS 85 HD1 HIS 85 34.869 -1.052 -17.088 722 HD2 HIS 85 HD2 HIS 85 35.050 2.857 -15.679 723 HE1 HIS 85 HE1 HIS 85 33.990 0.380 -18.952 724 HE2 HIS 85 HE2 HIS 85 33.928 2.707 -18.005 Start of MODEL 3 1 H1 MET 1 1H MET 1 -21.015 -7.734 3.813 2 H2 MET 1 2H MET 1 -22.645 -7.327 3.971 3 H3 MET 1 3H MET 1 -21.506 -6.668 5.028 4 HA MET 1 HA MET 1 -21.662 -6.165 2.117 5 HB2 MET 1 2HB MET 1 -22.223 -4.305 4.475 6 HB3 MET 1 3HB MET 1 -22.305 -3.852 2.774 7 HG2 MET 1 2HG MET 1 -24.114 -5.836 4.181 8 HG3 MET 1 3HG MET 1 -24.542 -4.192 3.710 9 HE1 MET 1 1HE MET 1 -24.930 -3.416 1.206 10 HE2 MET 1 2HE MET 1 -24.631 -4.443 -0.193 11 HE3 MET 1 3HE MET 1 -23.278 -3.889 0.793 12 HA PRO 2 HA PRO 2 -17.357 -4.673 2.378 13 HB2 PRO 2 2HB PRO 2 -18.355 -2.228 0.922 14 HB3 PRO 2 3HB PRO 2 -16.987 -3.289 0.525 15 HG2 PRO 2 2HG PRO 2 -19.224 -3.449 -0.893 16 HG3 PRO 2 3HG PRO 2 -18.355 -4.935 -0.439 17 HD2 PRO 2 2HD PRO 2 -20.855 -3.775 0.776 18 HD3 PRO 2 3HD PRO 2 -20.441 -5.472 0.447 19 H SER 3 H SER 3 -17.351 -4.356 4.596 20 HA SER 3 HA SER 3 -18.504 -2.080 5.919 21 HB2 SER 3 2HB SER 3 -16.426 -4.079 6.929 22 HB3 SER 3 3HB SER 3 -17.373 -2.978 7.933 23 HG SER 3 HG SER 3 -18.620 -4.846 6.210 24 H GLU 4 H GLU 4 -17.230 -0.457 7.108 25 HA GLU 4 HA GLU 4 -15.345 0.861 5.476 26 HB2 GLU 4 2HB GLU 4 -16.055 1.376 8.390 27 HB3 GLU 4 3HB GLU 4 -15.053 2.438 7.400 28 HG2 GLU 4 2HG GLU 4 -17.038 2.652 5.813 29 HG3 GLU 4 3HG GLU 4 -17.997 1.816 7.036 30 H GLU 5 H GLU 5 -14.927 -1.541 7.952 31 HA GLU 5 HA GLU 5 -12.043 -1.119 8.124 32 HB2 GLU 5 2HB GLU 5 -13.386 -1.852 10.118 33 HB3 GLU 5 3HB GLU 5 -13.745 -3.368 9.296 34 HG2 GLU 5 2HG GLU 5 -11.955 -3.771 10.859 35 HG3 GLU 5 3HG GLU 5 -11.278 -3.854 9.237 36 H GLU 6 H GLU 6 -14.343 -3.229 6.474 37 HA GLU 6 HA GLU 6 -12.574 -5.340 5.759 38 HB2 GLU 6 2HB GLU 6 -15.047 -5.582 5.835 39 HB3 GLU 6 3HB GLU 6 -15.201 -4.504 4.452 40 HG2 GLU 6 2HG GLU 6 -14.010 -6.134 3.038 41 HG3 GLU 6 3HG GLU 6 -13.797 -7.198 4.423 42 H GLU 7 H GLU 7 -13.470 -2.307 4.201 43 HA GLU 7 HA GLU 7 -12.367 -2.712 1.657 44 HB2 GLU 7 2HB GLU 7 -12.284 -0.245 1.477 45 HB3 GLU 7 3HB GLU 7 -13.821 -0.832 2.102 46 HG2 GLU 7 2HG GLU 7 -13.051 -0.272 4.412 47 HG3 GLU 7 3HG GLU 7 -11.591 0.433 3.717 48 H LYS 8 H LYS 8 -10.819 -1.716 4.729 49 HA LYS 8 HA LYS 8 -8.272 -0.933 3.855 50 HB2 LYS 8 2HB LYS 8 -9.230 -2.254 6.407 51 HB3 LYS 8 3HB LYS 8 -7.508 -2.013 6.164 52 HG2 LYS 8 2HG LYS 8 -8.564 -0.290 7.570 53 HG3 LYS 8 3HG LYS 8 -7.778 0.377 6.138 54 HD2 LYS 8 2HD LYS 8 -9.861 0.857 5.092 55 HD3 LYS 8 3HD LYS 8 -10.755 -0.190 6.199 56 HE2 LYS 8 2HE LYS 8 -9.313 2.310 7.135 57 HE3 LYS 8 3HE LYS 8 -10.993 2.312 6.594 58 HZ1 LYS 8 1HZ LYS 8 -11.583 0.809 8.318 59 HZ2 LYS 8 2HZ LYS 8 -10.730 2.083 9.023 60 HZ3 LYS 8 3HZ LYS 8 -9.974 0.587 8.789 61 H ARG 9 H ARG 9 -9.581 -4.165 4.423 62 HA ARG 9 HA ARG 9 -7.211 -5.706 4.209 63 HB2 ARG 9 2HB ARG 9 -10.053 -6.540 3.465 64 HB3 ARG 9 3HB ARG 9 -8.730 -7.623 3.884 65 HG2 ARG 9 2HG ARG 9 -9.952 -5.601 5.786 66 HG3 ARG 9 3HG ARG 9 -10.417 -7.299 5.703 67 HD2 ARG 9 2HD ARG 9 -7.627 -6.292 6.374 68 HD3 ARG 9 3HD ARG 9 -8.827 -6.832 7.550 69 HE ARG 9 HE ARG 9 -7.678 -8.597 5.459 70 HH11 ARG 9 1HH1 ARG 9 -8.824 -8.154 8.764 71 HH12 ARG 9 2HH1 ARG 9 -8.511 -9.800 9.214 72 HH21 ARG 9 1HH2 ARG 9 -7.277 -10.732 6.069 73 HH22 ARG 9 2HH2 ARG 9 -7.632 -11.260 7.684 74 H GLN 10 H GLN 10 -9.654 -4.676 1.864 75 HA GLN 10 HA GLN 10 -8.555 -5.923 -0.444 76 HB2 GLN 10 2HB GLN 10 -10.214 -3.363 -0.501 77 HB3 GLN 10 3HB GLN 10 -10.124 -4.620 -1.730 78 HG2 GLN 10 2HG GLN 10 -11.453 -4.815 0.986 79 HG3 GLN 10 3HG GLN 10 -12.256 -4.768 -0.582 80 HE21 GLN 10 1HE2 GLN 10 -12.362 -6.760 1.593 81 HE22 GLN 10 2HE2 GLN 10 -11.925 -8.269 0.878 82 H VAL 11 H VAL 11 -8.107 -2.709 0.994 83 HA VAL 11 HA VAL 11 -6.724 -1.492 -1.169 84 HB VAL 11 HB VAL 11 -6.800 -0.708 1.787 85 HG11 VAL 11 1HG1 VAL 11 -6.185 1.554 1.052 86 HG12 VAL 11 2HG1 VAL 11 -6.052 0.993 -0.615 87 HG13 VAL 11 3HG1 VAL 11 -4.932 0.394 0.604 88 HG21 VAL 11 1HG2 VAL 11 -8.487 0.293 -0.522 89 HG22 VAL 11 2HG2 VAL 11 -8.577 0.850 1.146 90 HG23 VAL 11 3HG2 VAL 11 -9.037 -0.796 0.741 91 H LYS 12 H LYS 12 -5.601 -3.038 1.860 92 HA LYS 12 HA LYS 12 -2.843 -2.490 1.575 93 HB2 LYS 12 2HB LYS 12 -4.247 -4.739 3.074 94 HB3 LYS 12 3HB LYS 12 -2.517 -4.420 3.182 95 HG2 LYS 12 2HG LYS 12 -3.026 -2.149 4.089 96 HG3 LYS 12 3HG LYS 12 -4.744 -2.554 4.070 97 HD2 LYS 12 2HD LYS 12 -2.614 -4.070 5.635 98 HD3 LYS 12 3HD LYS 12 -3.693 -2.861 6.327 99 HE2 LYS 12 2HE LYS 12 -5.640 -4.272 5.854 100 HE3 LYS 12 3HE LYS 12 -4.619 -5.449 5.022 101 HZ1 LYS 12 1HZ LYS 12 -4.478 -4.753 7.908 102 HZ2 LYS 12 2HZ LYS 12 -3.456 -5.841 7.123 103 HZ3 LYS 12 3HZ LYS 12 -5.104 -6.181 7.262 104 H GLN 13 H GLN 13 -4.923 -5.043 0.324 105 HA GLN 13 HA GLN 13 -2.903 -6.733 -0.742 106 HB2 GLN 13 2HB GLN 13 -5.216 -7.513 -0.442 107 HB3 GLN 13 3HB GLN 13 -5.804 -6.326 -1.599 108 HG2 GLN 13 2HG GLN 13 -4.503 -7.480 -3.388 109 HG3 GLN 13 3HG GLN 13 -4.003 -8.688 -2.206 110 HE21 GLN 13 1HE2 GLN 13 -7.251 -7.256 -2.399 111 HE22 GLN 13 2HE2 GLN 13 -8.044 -8.718 -2.867 112 H VAL 14 H VAL 14 -4.920 -4.181 -2.259 113 HA VAL 14 HA VAL 14 -3.779 -4.232 -4.837 114 HB VAL 14 HB VAL 14 -5.117 -1.894 -3.381 115 HG11 VAL 14 1HG1 VAL 14 -3.915 -1.087 -5.375 116 HG12 VAL 14 2HG1 VAL 14 -5.659 -0.983 -5.613 117 HG13 VAL 14 3HG1 VAL 14 -4.740 -2.284 -6.375 118 HG21 VAL 14 1HG2 VAL 14 -6.565 -3.888 -3.474 119 HG22 VAL 14 2HG2 VAL 14 -6.358 -3.972 -5.223 120 HG23 VAL 14 3HG2 VAL 14 -7.201 -2.600 -4.498 121 H ALA 15 H ALA 15 -2.757 -2.689 -1.875 122 HA ALA 15 HA ALA 15 -0.800 -0.913 -2.993 123 HB1 ALA 15 1HB ALA 15 -0.206 -0.489 -0.645 124 HB2 ALA 15 2HB ALA 15 -1.203 -1.855 -0.134 125 HB3 ALA 15 3HB ALA 15 -1.956 -0.439 -0.872 126 H LYS 16 H LYS 16 -0.674 -4.086 -1.341 127 HA LYS 16 HA LYS 16 2.170 -4.162 -1.155 128 HB2 LYS 16 2HB LYS 16 1.928 -6.347 -0.198 129 HB3 LYS 16 3HB LYS 16 0.611 -5.360 0.409 130 HG2 LYS 16 2HG LYS 16 -0.950 -6.442 -1.134 131 HG3 LYS 16 3HG LYS 16 0.359 -7.392 -1.830 132 HD2 LYS 16 2HD LYS 16 -0.659 -7.571 1.032 133 HD3 LYS 16 3HD LYS 16 -0.963 -8.735 -0.259 134 HE2 LYS 16 2HE LYS 16 1.537 -9.117 -0.394 135 HE3 LYS 16 3HE LYS 16 1.708 -8.109 1.045 136 HZ1 LYS 16 1HZ LYS 16 0.171 -10.646 0.866 137 HZ2 LYS 16 2HZ LYS 16 0.272 -9.662 2.235 138 HZ3 LYS 16 3HZ LYS 16 1.657 -10.426 1.649 139 H GLU 17 H GLU 17 -0.159 -5.408 -3.496 140 HA GLU 17 HA GLU 17 1.590 -7.104 -4.931 141 HB2 GLU 17 2HB GLU 17 -0.910 -5.654 -5.900 142 HB3 GLU 17 3HB GLU 17 -0.091 -6.944 -6.772 143 HG2 GLU 17 2HG GLU 17 -1.487 -7.187 -4.099 144 HG3 GLU 17 3HG GLU 17 -2.056 -7.807 -5.642 145 H LYS 18 H LYS 18 0.832 -3.649 -5.206 146 HA LYS 18 HA LYS 18 2.213 -3.053 -7.574 147 HB2 LYS 18 2HB LYS 18 1.488 -1.406 -5.132 148 HB3 LYS 18 3HB LYS 18 2.414 -0.691 -6.442 149 HG2 LYS 18 2HG LYS 18 -0.334 -1.933 -6.731 150 HG3 LYS 18 3HG LYS 18 0.006 -0.205 -6.611 151 HD2 LYS 18 2HD LYS 18 1.312 -0.298 -8.706 152 HD3 LYS 18 3HD LYS 18 1.019 -2.034 -8.823 153 HE2 LYS 18 2HE LYS 18 -1.395 -1.607 -9.072 154 HE3 LYS 18 3HE LYS 18 -1.104 0.132 -8.952 155 HZ1 LYS 18 1HZ LYS 18 0.034 -1.642 -11.047 156 HZ2 LYS 18 2HZ LYS 18 0.204 0.036 -10.962 157 HZ3 LYS 18 3HZ LYS 18 -1.317 -0.640 -11.250 158 H LEU 19 H LEU 19 3.310 -3.117 -4.192 159 HA LEU 19 HA LEU 19 6.006 -2.331 -4.761 160 HB2 LEU 19 2HB LEU 19 4.821 -3.697 -2.325 161 HB3 LEU 19 3HB LEU 19 6.454 -3.051 -2.413 162 HG LEU 19 HG LEU 19 3.852 -1.481 -2.468 163 HD11 LEU 19 1HD1 LEU 19 4.754 -0.430 -0.447 164 HD12 LEU 19 2HD1 LEU 19 6.186 -1.460 -0.541 165 HD13 LEU 19 3HD1 LEU 19 4.597 -2.174 -0.261 166 HD21 LEU 19 1HD2 LEU 19 5.330 -0.452 -4.110 167 HD22 LEU 19 2HD2 LEU 19 6.657 -0.417 -2.945 168 HD23 LEU 19 3HD2 LEU 19 5.217 0.569 -2.677 169 H LEU 20 H LEU 20 4.363 -5.443 -4.588 170 HA LEU 20 HA LEU 20 6.684 -7.098 -4.728 171 HB2 LEU 20 2HB LEU 20 3.758 -7.591 -5.365 172 HB3 LEU 20 3HB LEU 20 4.970 -8.841 -5.612 173 HG LEU 20 HG LEU 20 4.417 -7.524 -2.925 174 HD11 LEU 20 1HD1 LEU 20 2.472 -8.822 -3.651 175 HD12 LEU 20 2HD1 LEU 20 3.277 -9.580 -2.279 176 HD13 LEU 20 3HD1 LEU 20 3.497 -10.239 -3.905 177 HD21 LEU 20 1HD2 LEU 20 6.088 -9.961 -3.625 178 HD22 LEU 20 2HD2 LEU 20 5.755 -9.361 -1.996 179 HD23 LEU 20 3HD2 LEU 20 6.700 -8.383 -3.115 180 H GLU 21 H GLU 21 4.780 -5.387 -7.143 181 HA GLU 21 HA GLU 21 5.905 -6.649 -9.455 182 HB2 GLU 21 2HB GLU 21 4.569 -3.935 -9.094 183 HB3 GLU 21 3HB GLU 21 5.083 -4.564 -10.661 184 HG2 GLU 21 2HG GLU 21 3.574 -6.515 -10.365 185 HG3 GLU 21 3HG GLU 21 3.036 -5.848 -8.824 186 H GLN 22 H GLN 22 6.840 -3.943 -7.410 187 HA GLN 22 HA GLN 22 9.072 -3.123 -9.076 188 HB2 GLN 22 2HB GLN 22 8.241 -2.248 -6.272 189 HB3 GLN 22 3HB GLN 22 9.501 -1.493 -7.247 190 HG2 GLN 22 2HG GLN 22 7.800 -0.897 -8.956 191 HG3 GLN 22 3HG GLN 22 6.550 -1.599 -7.934 192 HE21 GLN 22 1HE2 GLN 22 7.683 -0.560 -5.429 193 HE22 GLN 22 2HE2 GLN 22 7.355 1.131 -5.438 194 H SER 23 H SER 23 8.557 -5.296 -6.394 195 HA SER 23 HA SER 23 11.237 -6.325 -6.570 196 HB2 SER 23 2HB SER 23 11.603 -4.452 -4.977 197 HB3 SER 23 3HB SER 23 10.337 -5.088 -3.926 198 HG SER 23 HG SER 23 12.716 -5.633 -3.576 199 HA PRO 24 HA PRO 24 8.075 -9.543 -5.535 200 HB2 PRO 24 2HB PRO 24 8.845 -11.433 -7.303 201 HB3 PRO 24 3HB PRO 24 8.007 -9.965 -7.846 202 HG2 PRO 24 2HG PRO 24 10.949 -10.575 -7.930 203 HG3 PRO 24 3HG PRO 24 9.917 -9.854 -9.187 204 HD2 PRO 24 2HD PRO 24 11.512 -8.365 -7.478 205 HD3 PRO 24 3HD PRO 24 10.046 -7.736 -8.266 206 H ASN 25 H ASN 25 11.464 -9.460 -5.146 207 HA ASN 25 HA ASN 25 11.763 -12.139 -4.021 208 HB2 ASN 25 2HB ASN 25 13.748 -9.831 -4.234 209 HB3 ASN 25 3HB ASN 25 14.140 -11.462 -3.693 210 HD21 ASN 25 1HD2 ASN 25 14.198 -13.152 -5.216 211 HD22 ASN 25 2HD2 ASN 25 14.229 -12.855 -6.916 212 H SER 26 H SER 26 10.536 -9.286 -2.884 213 HA SER 26 HA SER 26 11.471 -9.657 -0.094 214 HB2 SER 26 2HB SER 26 10.892 -7.231 0.156 215 HB3 SER 26 3HB SER 26 12.150 -7.512 -1.047 216 HG SER 26 HG SER 26 10.715 -7.117 -2.649 217 H LYS 27 H LYS 27 9.924 -9.952 1.495 218 HA LYS 27 HA LYS 27 7.118 -10.208 0.803 219 HB2 LYS 27 2HB LYS 27 8.429 -10.256 3.556 220 HB3 LYS 27 3HB LYS 27 6.772 -10.734 3.193 221 HG2 LYS 27 2HG LYS 27 7.721 -12.563 1.722 222 HG3 LYS 27 3HG LYS 27 9.321 -12.145 2.337 223 HD2 LYS 27 2HD LYS 27 6.954 -13.147 3.967 224 HD3 LYS 27 3HD LYS 27 8.421 -14.049 3.587 225 HE2 LYS 27 2HE LYS 27 9.752 -12.454 4.942 226 HE3 LYS 27 3HE LYS 27 8.282 -11.545 5.313 227 HZ1 LYS 27 1HZ LYS 27 8.772 -14.381 6.042 228 HZ2 LYS 27 2HZ LYS 27 7.395 -13.482 6.423 229 HZ3 LYS 27 3HZ LYS 27 8.881 -13.063 7.101 230 H VAL 28 H VAL 28 5.644 -8.605 0.913 231 HA VAL 28 HA VAL 28 6.426 -5.985 2.000 232 HB VAL 28 HB VAL 28 4.004 -6.657 0.268 233 HG11 VAL 28 1HG1 VAL 28 5.279 -3.993 0.993 234 HG12 VAL 28 2HG1 VAL 28 3.734 -4.604 1.592 235 HG13 VAL 28 3HG1 VAL 28 3.922 -4.207 -0.117 236 HG21 VAL 28 1HG2 VAL 28 5.266 -5.720 -1.638 237 HG22 VAL 28 2HG2 VAL 28 6.078 -7.141 -0.974 238 HG23 VAL 28 3HG2 VAL 28 6.686 -5.526 -0.605 239 H GLN 29 H GLN 29 5.859 -5.723 4.073 240 HA GLN 29 HA GLN 29 3.331 -6.804 5.150 241 HB2 GLN 29 2HB GLN 29 5.620 -5.415 6.623 242 HB3 GLN 29 3HB GLN 29 4.268 -6.271 7.351 243 HG2 GLN 29 2HG GLN 29 6.597 -7.458 5.827 244 HG3 GLN 29 3HG GLN 29 6.210 -7.669 7.533 245 HE21 GLN 29 1HE2 GLN 29 4.326 -8.947 8.046 246 HE22 GLN 29 2HE2 GLN 29 3.800 -10.192 6.973 247 H VAL 30 H VAL 30 2.189 -5.227 6.716 248 HA VAL 30 HA VAL 30 2.059 -2.518 5.553 249 HB VAL 30 HB VAL 30 -0.099 -3.732 5.814 250 HG11 VAL 30 1HG1 VAL 30 0.389 -3.636 8.806 251 HG12 VAL 30 2HG1 VAL 30 0.362 -5.087 7.802 252 HG13 VAL 30 3HG1 VAL 30 -1.112 -4.140 8.021 253 HG21 VAL 30 1HG2 VAL 30 0.131 -1.269 7.578 254 HG22 VAL 30 2HG2 VAL 30 -1.372 -1.901 6.897 255 HG23 VAL 30 3HG2 VAL 30 -0.110 -1.286 5.828 256 H ARG 31 H ARG 31 2.865 -0.815 6.620 257 HA ARG 31 HA ARG 31 4.068 -1.093 9.272 258 HB2 ARG 31 2HB ARG 31 5.321 0.060 7.450 259 HB3 ARG 31 3HB ARG 31 4.049 1.276 7.337 260 HG2 ARG 31 2HG ARG 31 5.946 2.161 8.589 261 HG3 ARG 31 3HG ARG 31 4.553 2.000 9.662 262 HD2 ARG 31 2HD ARG 31 5.537 -0.212 10.436 263 HD3 ARG 31 3HD ARG 31 6.988 0.188 9.506 264 HE ARG 31 HE ARG 31 6.200 2.235 11.376 265 HH11 ARG 31 1HH1 ARG 31 8.047 -0.748 11.049 266 HH12 ARG 31 2HH1 ARG 31 9.051 -0.412 12.426 267 HH21 ARG 31 1HH2 ARG 31 7.520 2.655 13.180 268 HH22 ARG 31 2HH2 ARG 31 8.751 1.518 13.631 269 H ARG 32 H ARG 32 1.617 0.922 7.620 270 HA ARG 32 HA ARG 32 -0.210 0.846 9.817 271 HB2 ARG 32 2HB ARG 32 1.585 3.212 9.618 272 HB3 ARG 32 3HB ARG 32 -0.114 3.668 9.610 273 HG2 ARG 32 2HG ARG 32 -0.444 2.420 11.730 274 HG3 ARG 32 3HG ARG 32 1.271 2.006 11.746 275 HD2 ARG 32 2HD ARG 32 1.869 4.374 11.958 276 HD3 ARG 32 3HD ARG 32 0.165 4.838 11.833 277 HE ARG 32 HE ARG 32 0.235 3.111 13.946 278 HH11 ARG 32 1HH1 ARG 32 1.920 6.128 13.269 279 HH12 ARG 32 2HH1 ARG 32 2.068 6.550 14.946 280 HH21 ARG 32 1HH2 ARG 32 0.433 3.678 16.121 281 HH22 ARG 32 2HH2 ARG 32 1.223 5.161 16.561 282 H VAL 33 H VAL 33 -2.281 1.815 9.262 283 HA VAL 33 HA VAL 33 -2.664 2.394 6.372 284 HB VAL 33 HB VAL 33 -4.679 1.179 8.330 285 HG11 VAL 33 1HG1 VAL 33 -6.134 0.852 6.356 286 HG12 VAL 33 2HG1 VAL 33 -4.956 1.690 5.348 287 HG13 VAL 33 3HG1 VAL 33 -5.797 2.563 6.631 288 HG21 VAL 33 1HG2 VAL 33 -3.221 -0.164 6.027 289 HG22 VAL 33 2HG2 VAL 33 -4.475 -0.905 7.023 290 HG23 VAL 33 3HG2 VAL 33 -2.929 -0.452 7.745 291 H GLN 34 H GLN 34 -2.913 4.544 6.149 292 HA GLN 34 HA GLN 34 -4.121 6.159 8.306 293 HB2 GLN 34 2HB GLN 34 -2.510 7.075 5.876 294 HB3 GLN 34 3HB GLN 34 -3.041 8.086 7.214 295 HG2 GLN 34 2HG GLN 34 -1.036 5.820 7.384 296 HG3 GLN 34 3HG GLN 34 -0.658 7.539 7.401 297 HE21 GLN 34 1HE2 GLN 34 -2.862 8.264 9.201 298 HE22 GLN 34 2HE2 GLN 34 -2.405 7.678 10.760 299 H LYS 35 H LYS 35 -6.244 6.363 8.046 300 HA LYS 35 HA LYS 35 -7.596 6.326 5.498 301 HB2 LYS 35 2HB LYS 35 -8.309 5.924 8.277 302 HB3 LYS 35 3HB LYS 35 -9.346 7.191 7.660 303 HG2 LYS 35 2HG LYS 35 -9.020 4.474 6.371 304 HG3 LYS 35 3HG LYS 35 -10.297 4.894 7.513 305 HD2 LYS 35 2HD LYS 35 -11.070 6.680 5.922 306 HD3 LYS 35 3HD LYS 35 -9.851 6.133 4.764 307 HE2 LYS 35 2HE LYS 35 -10.919 3.928 4.649 308 HE3 LYS 35 3HE LYS 35 -12.104 4.411 5.863 309 HZ1 LYS 35 1HZ LYS 35 -11.801 5.699 3.207 310 HZ2 LYS 35 2HZ LYS 35 -13.007 6.012 4.351 311 HZ3 LYS 35 3HZ LYS 35 -12.942 4.511 3.578 312 H GLN 36 H GLN 36 -8.396 8.047 4.402 313 HA GLN 36 HA GLN 36 -8.451 10.757 5.481 314 HB2 GLN 36 2HB GLN 36 -6.083 10.380 4.661 315 HB3 GLN 36 3HB GLN 36 -6.722 10.056 3.053 316 HG2 GLN 36 2HG GLN 36 -7.590 12.360 2.937 317 HG3 GLN 36 3HG GLN 36 -6.959 12.683 4.555 318 HE21 GLN 36 1HE2 GLN 36 -4.679 12.836 4.833 319 HE22 GLN 36 2HE2 GLN 36 -3.627 13.113 3.494 320 H GLY 37 H GLY 37 -10.695 9.892 5.147 321 HA2 GLY 37 2HA GLY 37 -12.706 9.885 4.040 322 HA3 GLY 37 3HA GLY 37 -11.943 10.830 2.767 323 H ASN 38 H ASN 38 -12.571 9.768 0.927 324 HA ASN 38 HA ASN 38 -12.590 6.879 0.681 325 HB2 ASN 38 2HB ASN 38 -12.975 9.099 -1.380 326 HB3 ASN 38 3HB ASN 38 -13.040 7.390 -1.789 327 HD21 ASN 38 1HD2 ASN 38 -14.658 9.978 -0.123 328 HD22 ASN 38 2HD2 ASN 38 -16.160 9.162 0.092 329 H THR 39 H THR 39 -10.058 9.047 0.721 330 HA THR 39 HA THR 39 -8.293 7.324 -0.901 331 HB THR 39 HB THR 39 -7.667 9.942 0.559 332 HG1 THR 39 HG1 THR 39 -8.897 9.487 -1.814 333 HG21 THR 39 1HG2 THR 39 -6.013 8.405 -1.488 334 HG22 THR 39 2HG2 THR 39 -5.637 8.535 0.235 335 HG23 THR 39 3HG2 THR 39 -5.596 9.969 -0.795 336 H ILE 40 H ILE 40 -6.783 6.005 0.092 337 HA ILE 40 HA ILE 40 -6.307 6.235 3.001 338 HB ILE 40 HB ILE 40 -6.625 3.645 1.407 339 HG12 ILE 40 2HG1 ILE 40 -8.203 4.748 3.775 340 HG13 ILE 40 3HG1 ILE 40 -8.780 4.611 2.121 341 HG21 ILE 40 1HG2 ILE 40 -4.711 3.431 2.935 342 HG22 ILE 40 2HG2 ILE 40 -6.059 2.443 3.497 343 HG23 ILE 40 3HG2 ILE 40 -5.708 3.983 4.283 344 HD11 ILE 40 1HD1 ILE 40 -9.725 2.881 3.509 345 HD12 ILE 40 2HD1 ILE 40 -8.119 2.311 3.964 346 HD13 ILE 40 3HD1 ILE 40 -8.668 2.172 2.293 347 H ARG 41 H ARG 41 -4.256 6.911 3.218 348 HA ARG 41 HA ARG 41 -2.097 6.173 1.419 349 HB2 ARG 41 2HB ARG 41 -2.246 7.769 3.995 350 HB3 ARG 41 3HB ARG 41 -0.694 7.250 3.357 351 HG2 ARG 41 2HG ARG 41 -1.251 8.483 1.223 352 HG3 ARG 41 3HG ARG 41 -2.662 9.150 2.057 353 HD2 ARG 41 2HD ARG 41 -0.637 10.653 2.092 354 HD3 ARG 41 3HD ARG 41 -1.259 10.250 3.690 355 HE ARG 41 HE ARG 41 0.566 8.461 3.671 356 HH11 ARG 41 1HH1 ARG 41 0.999 11.583 2.095 357 HH12 ARG 41 2HH1 ARG 41 2.722 11.557 2.276 358 HH21 ARG 41 1HH2 ARG 41 2.805 8.423 3.859 359 HH22 ARG 41 2HH2 ARG 41 3.747 9.766 3.276 360 H VAL 42 H VAL 42 -1.882 3.933 1.528 361 HA VAL 42 HA VAL 42 -1.588 2.581 4.083 362 HB VAL 42 HB VAL 42 -0.815 1.430 1.363 363 HG11 VAL 42 1HG1 VAL 42 -1.234 -0.750 2.464 364 HG12 VAL 42 2HG1 VAL 42 -1.659 0.080 3.963 365 HG13 VAL 42 3HG1 VAL 42 -0.009 0.172 3.344 366 HG21 VAL 42 1HG2 VAL 42 -3.070 0.462 1.228 367 HG22 VAL 42 2HG2 VAL 42 -3.133 2.227 1.222 368 HG23 VAL 42 3HG2 VAL 42 -3.539 1.333 2.689 369 H GLU 43 H GLU 43 0.190 3.022 5.203 370 HA GLU 43 HA GLU 43 2.819 3.402 3.987 371 HB2 GLU 43 2HB GLU 43 2.155 3.001 6.938 372 HB3 GLU 43 3HB GLU 43 3.581 3.774 6.250 373 HG2 GLU 43 2HG GLU 43 0.753 4.842 6.126 374 HG3 GLU 43 3HG GLU 43 2.011 5.416 7.220 375 H LEU 44 H LEU 44 3.928 1.619 3.350 376 HA LEU 44 HA LEU 44 3.384 -0.985 4.676 377 HB2 LEU 44 2HB LEU 44 4.529 -0.632 1.879 378 HB3 LEU 44 3HB LEU 44 3.970 -2.111 2.638 379 HG LEU 44 HG LEU 44 1.633 -0.725 2.725 380 HD11 LEU 44 1HD1 LEU 44 2.998 0.386 0.266 381 HD12 LEU 44 2HD1 LEU 44 2.532 1.293 1.707 382 HD13 LEU 44 3HD1 LEU 44 1.291 0.575 0.682 383 HD21 LEU 44 1HD2 LEU 44 2.576 -2.222 0.266 384 HD22 LEU 44 2HD2 LEU 44 0.900 -1.896 0.712 385 HD23 LEU 44 3HD2 LEU 44 1.890 -2.943 1.723 386 H GLU 45 H GLU 45 5.291 -2.515 4.477 387 HA GLU 45 HA GLU 45 7.890 -1.182 4.694 388 HB2 GLU 45 2HB GLU 45 6.843 -1.287 6.982 389 HB3 GLU 45 3HB GLU 45 6.849 -3.047 6.872 390 HG2 GLU 45 2HG GLU 45 9.275 -3.102 6.793 391 HG3 GLU 45 3HG GLU 45 9.356 -1.342 6.643 392 H LEU 46 H LEU 46 9.001 -2.167 3.234 393 HA LEU 46 HA LEU 46 8.651 -5.025 2.555 394 HB2 LEU 46 2HB LEU 46 7.817 -3.632 0.808 395 HB3 LEU 46 3HB LEU 46 9.136 -2.498 0.939 396 HG LEU 46 HG LEU 46 9.658 -5.302 -0.100 397 HD11 LEU 46 1HD1 LEU 46 8.708 -2.968 -1.792 398 HD12 LEU 46 2HD1 LEU 46 7.794 -4.441 -1.458 399 HD13 LEU 46 3HD1 LEU 46 9.284 -4.526 -2.395 400 HD21 LEU 46 1HD2 LEU 46 11.004 -2.631 -0.643 401 HD22 LEU 46 2HD2 LEU 46 11.467 -4.177 -1.358 402 HD23 LEU 46 3HD2 LEU 46 11.635 -3.927 0.376 403 H ARG 47 H ARG 47 10.524 -6.302 2.583 404 HA ARG 47 HA ARG 47 13.094 -4.940 3.197 405 HB2 ARG 47 2HB ARG 47 12.167 -7.640 4.254 406 HB3 ARG 47 3HB ARG 47 13.747 -6.917 4.536 407 HG2 ARG 47 2HG ARG 47 12.476 -4.951 5.622 408 HG3 ARG 47 3HG ARG 47 11.066 -6.011 5.619 409 HD2 ARG 47 2HD ARG 47 12.197 -6.093 7.787 410 HD3 ARG 47 3HD ARG 47 12.334 -7.659 6.978 411 HE ARG 47 HE ARG 47 14.595 -6.047 6.373 412 HH11 ARG 47 1HH1 ARG 47 13.281 -7.955 9.033 413 HH12 ARG 47 2HH1 ARG 47 14.843 -8.265 9.725 414 HH21 ARG 47 1HH2 ARG 47 16.619 -6.456 7.312 415 HH22 ARG 47 2HH2 ARG 47 16.732 -7.417 8.752 416 H THR 48 H THR 48 14.187 -4.953 1.314 417 HA THR 48 HA THR 48 14.445 -7.472 -0.236 418 HB THR 48 HB THR 48 15.175 -4.640 -1.111 419 HG1 THR 48 HG1 THR 48 12.807 -5.574 -0.821 420 HG21 THR 48 1HG2 THR 48 15.271 -5.606 -3.384 421 HG22 THR 48 2HG2 THR 48 14.914 -7.204 -2.727 422 HG23 THR 48 3HG2 THR 48 16.438 -6.409 -2.325 423 H ASN 49 H ASN 49 16.309 -8.579 0.039 424 HA ASN 49 HA ASN 49 18.461 -9.181 0.385 425 HB2 ASN 49 2HB ASN 49 19.021 -6.292 -0.417 426 HB3 ASN 49 3HB ASN 49 20.279 -7.505 -0.195 427 HD21 ASN 49 1HD2 ASN 49 20.910 -7.202 -2.378 428 HD22 ASN 49 2HD2 ASN 49 20.001 -7.870 -3.683 429 H GLY 50 H GLY 50 16.813 -7.955 2.595 430 HA2 GLY 50 2HA GLY 50 17.281 -8.014 4.910 431 HA3 GLY 50 3HA GLY 50 18.953 -7.576 4.596 432 H LYS 51 H LYS 51 17.862 -5.442 2.664 433 HA LYS 51 HA LYS 51 17.858 -3.246 4.481 434 HB2 LYS 51 2HB LYS 51 17.281 -3.477 1.494 435 HB3 LYS 51 3HB LYS 51 17.283 -1.933 2.335 436 HG2 LYS 51 2HG LYS 51 19.680 -3.799 2.274 437 HG3 LYS 51 3HG LYS 51 19.426 -2.499 1.108 438 HD2 LYS 51 2HD LYS 51 19.656 -2.103 4.123 439 HD3 LYS 51 3HD LYS 51 20.963 -1.839 2.968 440 HE2 LYS 51 2HE LYS 51 19.806 -0.002 1.932 441 HE3 LYS 51 3HE LYS 51 18.308 -0.370 2.792 442 HZ1 LYS 51 1HZ LYS 51 19.343 0.274 4.844 443 HZ2 LYS 51 2HZ LYS 51 19.504 1.530 3.721 444 HZ3 LYS 51 3HZ LYS 51 20.824 0.534 4.074 445 H LYS 52 H LYS 52 16.167 -2.356 5.543 446 HA LYS 52 HA LYS 52 13.426 -3.260 4.908 447 HB2 LYS 52 2HB LYS 52 14.289 -3.755 7.193 448 HB3 LYS 52 3HB LYS 52 14.502 -2.031 7.484 449 HG2 LYS 52 2HG LYS 52 12.062 -1.677 7.267 450 HG3 LYS 52 3HG LYS 52 11.844 -3.393 6.916 451 HD2 LYS 52 2HD LYS 52 11.257 -3.017 9.234 452 HD3 LYS 52 3HD LYS 52 12.769 -3.927 9.190 453 HE2 LYS 52 2HE LYS 52 14.035 -1.855 9.626 454 HE3 LYS 52 3HE LYS 52 12.531 -0.931 9.624 455 HZ1 LYS 52 1HZ LYS 52 13.304 -1.460 11.860 456 HZ2 LYS 52 2HZ LYS 52 13.168 -3.112 11.534 457 HZ3 LYS 52 3HZ LYS 52 11.789 -2.134 11.540 458 H GLU 53 H GLU 53 12.633 -1.868 3.474 459 HA GLU 53 HA GLU 53 12.966 1.056 3.803 460 HB2 GLU 53 2HB GLU 53 12.200 -0.550 1.324 461 HB3 GLU 53 3HB GLU 53 12.501 1.182 1.377 462 HG2 GLU 53 2HG GLU 53 14.575 -0.951 1.978 463 HG3 GLU 53 3HG GLU 53 14.400 -0.137 0.427 464 H ASN 54 H ASN 54 11.226 2.129 4.498 465 HA ASN 54 HA ASN 54 8.544 1.053 4.440 466 HB2 ASN 54 2HB ASN 54 9.658 3.769 5.269 467 HB3 ASN 54 3HB ASN 54 7.937 3.404 5.304 468 HD21 ASN 54 1HD2 ASN 54 7.950 0.802 6.280 469 HD22 ASN 54 2HD2 ASN 54 8.567 0.821 7.895 470 H TYR 55 H TYR 55 6.847 1.769 3.164 471 HA TYR 55 HA TYR 55 7.384 3.622 0.922 472 HB2 TYR 55 2HB TYR 55 6.024 0.896 0.728 473 HB3 TYR 55 3HB TYR 55 5.954 2.112 -0.538 474 HD1 TYR 55 HD1 TYR 55 7.728 2.298 -2.153 475 HD2 TYR 55 HD2 TYR 55 8.299 -0.122 1.315 476 HE1 TYR 55 HE1 TYR 55 9.785 1.367 -3.140 477 HE2 TYR 55 HE2 TYR 55 10.343 -1.045 0.336 478 HH TYR 55 HH TYR 55 11.360 -1.369 -1.886 479 H THR 56 H THR 56 5.282 4.211 -0.139 480 HA THR 56 HA THR 56 2.940 4.244 1.619 481 HB THR 56 HB THR 56 4.157 6.748 0.358 482 HG1 THR 56 HG1 THR 56 3.984 5.898 3.064 483 HG21 THR 56 1HG2 THR 56 1.671 6.451 2.078 484 HG22 THR 56 2HG2 THR 56 1.687 6.804 0.348 485 HG23 THR 56 3HG2 THR 56 2.350 7.969 1.491 486 H VAL 57 H VAL 57 1.657 3.088 0.260 487 HA VAL 57 HA VAL 57 1.459 3.943 -2.573 488 HB VAL 57 HB VAL 57 0.341 1.439 -1.239 489 HG11 VAL 57 1HG1 VAL 57 -0.317 0.753 -3.532 490 HG12 VAL 57 2HG1 VAL 57 0.196 2.325 -4.143 491 HG13 VAL 57 3HG1 VAL 57 -1.164 2.216 -3.026 492 HG21 VAL 57 1HG2 VAL 57 2.585 1.765 -3.272 493 HG22 VAL 57 2HG2 VAL 57 1.973 0.228 -2.656 494 HG23 VAL 57 3HG2 VAL 57 2.792 1.350 -1.567 495 H GLU 58 H GLU 58 0.221 5.584 -2.702 496 HA GLU 58 HA GLU 58 -1.978 6.207 -0.930 497 HB2 GLU 58 2HB GLU 58 -0.882 7.650 -3.387 498 HB3 GLU 58 3HB GLU 58 -2.038 8.321 -2.237 499 HG2 GLU 58 2HG GLU 58 -0.402 8.410 -0.484 500 HG3 GLU 58 3HG GLU 58 0.714 7.387 -1.384 501 H VAL 59 H VAL 59 -3.679 4.911 -1.302 502 HA VAL 59 HA VAL 59 -4.612 4.302 -4.034 503 HB VAL 59 HB VAL 59 -5.469 3.039 -1.386 504 HG11 VAL 59 1HG1 VAL 59 -5.887 2.073 -4.232 505 HG12 VAL 59 2HG1 VAL 59 -7.132 2.751 -3.181 506 HG13 VAL 59 3HG1 VAL 59 -6.371 1.212 -2.769 507 HG21 VAL 59 1HG2 VAL 59 -4.004 1.131 -1.946 508 HG22 VAL 59 2HG2 VAL 59 -3.069 2.620 -1.761 509 HG23 VAL 59 3HG2 VAL 59 -3.423 1.996 -3.373 510 H GLU 60 H GLU 60 -6.895 4.580 -4.501 511 HA GLU 60 HA GLU 60 -8.456 6.385 -2.801 512 HB2 GLU 60 2HB GLU 60 -6.981 7.804 -4.283 513 HB3 GLU 60 3HB GLU 60 -7.727 7.050 -5.688 514 HG2 GLU 60 2HG GLU 60 -9.965 7.927 -4.810 515 HG3 GLU 60 3HG GLU 60 -9.027 8.879 -3.651 516 H ARG 61 H ARG 61 -10.650 6.045 -3.098 517 HA ARG 61 HA ARG 61 -11.359 3.584 -4.434 518 HB2 ARG 61 2HB ARG 61 -12.160 4.037 -2.192 519 HB3 ARG 61 3HB ARG 61 -12.999 5.492 -2.721 520 HG2 ARG 61 2HG ARG 61 -14.731 4.278 -3.746 521 HG3 ARG 61 3HG ARG 61 -13.728 2.845 -3.982 522 HD2 ARG 61 2HD ARG 61 -15.443 2.470 -2.276 523 HD3 ARG 61 3HD ARG 61 -13.808 2.353 -1.615 524 HE ARG 61 HE ARG 61 -14.975 4.964 -1.294 525 HH11 ARG 61 1HH1 ARG 61 -14.821 1.751 0.122 526 HH12 ARG 61 2HH1 ARG 61 -15.221 2.301 1.714 527 HH21 ARG 61 1HH2 ARG 61 -15.469 5.677 0.797 528 HH22 ARG 61 2HH2 ARG 61 -15.591 4.541 2.103 529 H GLN 62 H GLN 62 -12.446 3.336 -6.240 530 HA GLN 62 HA GLN 62 -13.815 5.604 -7.580 531 HB2 GLN 62 2HB GLN 62 -12.502 3.212 -8.976 532 HB3 GLN 62 3HB GLN 62 -13.156 4.656 -9.732 533 HG2 GLN 62 2HG GLN 62 -10.653 4.454 -8.049 534 HG3 GLN 62 3HG GLN 62 -10.753 4.778 -9.778 535 HE21 GLN 62 1HE2 GLN 62 -9.568 6.319 -7.511 536 HE22 GLN 62 2HE2 GLN 62 -10.256 7.898 -7.634 537 H GLY 63 H GLY 63 -15.961 5.251 -7.347 538 HA2 GLY 63 2HA GLY 63 -18.002 4.226 -7.149 539 HA3 GLY 63 3HA GLY 63 -17.315 2.828 -7.975 540 H ASN 64 H ASN 64 -16.996 1.025 -6.788 541 HA ASN 64 HA ASN 64 -16.875 1.183 -3.825 542 HB2 ASN 64 2HB ASN 64 -18.747 -0.188 -4.759 543 HB3 ASN 64 3HB ASN 64 -17.579 -1.200 -5.604 544 HD21 ASN 64 1HD2 ASN 64 -18.267 -3.051 -4.501 545 HD22 ASN 64 2HD2 ASN 64 -17.914 -3.334 -2.836 546 H THR 65 H THR 65 -15.177 0.281 -6.740 547 HA THR 65 HA THR 65 -13.230 -1.467 -5.477 548 HB THR 65 HB THR 65 -12.085 -1.354 -7.748 549 HG1 THR 65 HG1 THR 65 -13.427 0.787 -8.121 550 HG21 THR 65 1HG2 THR 65 -15.017 -2.164 -7.772 551 HG22 THR 65 2HG2 THR 65 -13.668 -3.167 -7.224 552 HG23 THR 65 3HG2 THR 65 -13.790 -2.694 -8.921 553 H TRP 66 H TRP 66 -10.795 -0.909 -6.025 554 HA TRP 66 HA TRP 66 -10.237 1.884 -5.173 555 HB2 TRP 66 2HB TRP 66 -9.027 -0.717 -4.117 556 HB3 TRP 66 3HB TRP 66 -8.384 0.880 -3.753 557 HD1 TRP 66 HD1 TRP 66 -11.418 -1.362 -2.946 558 HE1 TRP 66 HE1 TRP 66 -12.597 -0.414 -0.866 559 HE3 TRP 66 HE3 TRP 66 -8.798 3.015 -2.420 560 HZ2 TRP 66 HZ2 TRP 66 -12.443 1.844 0.772 561 HZ3 TRP 66 HZ3 TRP 66 -9.392 4.516 -0.562 562 HH2 TRP 66 HH2 TRP 66 -11.177 3.942 1.007 563 H THR 67 H THR 67 -8.318 2.813 -5.970 564 HA THR 67 HA THR 67 -6.684 1.252 -7.862 565 HB THR 67 HB THR 67 -8.500 2.563 -9.135 566 HG1 THR 67 HG1 THR 67 -6.974 3.230 -10.714 567 HG21 THR 67 1HG2 THR 67 -8.121 4.982 -9.496 568 HG22 THR 67 2HG2 THR 67 -6.835 4.969 -8.290 569 HG23 THR 67 3HG2 THR 67 -8.500 4.649 -7.801 570 H VAL 68 H VAL 68 -4.548 1.893 -7.966 571 HA VAL 68 HA VAL 68 -3.529 3.554 -5.812 572 HB VAL 68 HB VAL 68 -2.118 1.949 -7.985 573 HG11 VAL 68 1HG1 VAL 68 -0.862 3.362 -5.597 574 HG12 VAL 68 2HG1 VAL 68 -0.670 3.825 -7.289 575 HG13 VAL 68 3HG1 VAL 68 -0.023 2.287 -6.716 576 HG21 VAL 68 1HG2 VAL 68 -2.521 1.372 -5.029 577 HG22 VAL 68 2HG2 VAL 68 -1.603 0.376 -6.155 578 HG23 VAL 68 3HG2 VAL 68 -3.340 0.563 -6.371 579 H LYS 69 H LYS 69 -3.308 5.677 -6.046 580 HA LYS 69 HA LYS 69 -3.175 6.946 -8.679 581 HB2 LYS 69 2HB LYS 69 -3.420 8.111 -5.873 582 HB3 LYS 69 3HB LYS 69 -3.281 9.096 -7.325 583 HG2 LYS 69 2HG LYS 69 -5.539 7.194 -6.644 584 HG3 LYS 69 3HG LYS 69 -5.603 8.958 -6.688 585 HD2 LYS 69 2HD LYS 69 -5.062 8.844 -9.155 586 HD3 LYS 69 3HD LYS 69 -5.205 7.087 -9.053 587 HE2 LYS 69 2HE LYS 69 -7.284 7.915 -9.895 588 HE3 LYS 69 3HE LYS 69 -7.579 7.432 -8.225 589 HZ1 LYS 69 1HZ LYS 69 -7.306 9.794 -7.604 590 HZ2 LYS 69 2HZ LYS 69 -8.617 9.523 -8.629 591 HZ3 LYS 69 3HZ LYS 69 -7.193 10.196 -9.239 592 H ARG 70 H ARG 70 -1.046 6.269 -5.936 593 HA ARG 70 HA ARG 70 1.276 7.005 -7.506 594 HB2 ARG 70 2HB ARG 70 0.452 9.195 -6.487 595 HB3 ARG 70 3HB ARG 70 0.801 8.528 -4.895 596 HG2 ARG 70 2HG ARG 70 3.194 8.350 -5.474 597 HG3 ARG 70 3HG ARG 70 2.854 8.947 -7.102 598 HD2 ARG 70 2HD ARG 70 1.970 11.073 -6.021 599 HD3 ARG 70 3HD ARG 70 2.601 10.471 -4.486 600 HE ARG 70 HE ARG 70 4.141 11.399 -6.800 601 HH11 ARG 70 1HH1 ARG 70 4.236 10.066 -3.548 602 HH12 ARG 70 2HH1 ARG 70 5.905 10.483 -3.311 603 HH21 ARG 70 1HH2 ARG 70 6.319 11.932 -6.469 604 HH22 ARG 70 2HH2 ARG 70 7.078 11.535 -4.958 605 H ILE 71 H ILE 71 2.981 5.759 -6.967 606 HA ILE 71 HA ILE 71 3.070 4.358 -4.365 607 HB ILE 71 HB ILE 71 4.771 3.890 -6.866 608 HG12 ILE 71 2HG1 ILE 71 2.519 2.149 -5.760 609 HG13 ILE 71 3HG1 ILE 71 2.360 3.213 -7.153 610 HG21 ILE 71 1HG2 ILE 71 4.622 2.292 -4.279 611 HG22 ILE 71 2HG2 ILE 71 5.974 3.306 -4.789 612 HG23 ILE 71 3HG2 ILE 71 5.568 1.852 -5.703 613 HD11 ILE 71 1HD1 ILE 71 4.178 0.809 -6.954 614 HD12 ILE 71 2HD1 ILE 71 4.059 1.901 -8.339 615 HD13 ILE 71 3HD1 ILE 71 2.668 0.932 -7.857 616 H THR 72 H THR 72 4.562 4.977 -2.898 617 HA THR 72 HA THR 72 6.658 6.959 -3.590 618 HB THR 72 HB THR 72 4.918 6.967 -1.074 619 HG1 THR 72 HG1 THR 72 3.533 7.886 -2.369 620 HG21 THR 72 1HG2 THR 72 5.887 9.160 -0.594 621 HG22 THR 72 2HG2 THR 72 6.859 9.084 -2.063 622 HG23 THR 72 3HG2 THR 72 7.183 7.965 -0.737 623 H ARG 73 H ARG 73 8.566 6.754 -2.352 624 HA ARG 73 HA ARG 73 8.830 4.460 -0.489 625 HB2 ARG 73 2HB ARG 73 9.931 3.944 -2.651 626 HB3 ARG 73 3HB ARG 73 10.825 5.458 -2.577 627 HG2 ARG 73 2HG ARG 73 11.993 4.626 -0.528 628 HG3 ARG 73 3HG ARG 73 11.144 3.086 -0.705 629 HD2 ARG 73 2HD ARG 73 13.404 2.935 -1.615 630 HD3 ARG 73 3HD ARG 73 12.209 2.754 -2.903 631 HE ARG 73 HE ARG 73 12.729 5.365 -3.077 632 HH11 ARG 73 1HH1 ARG 73 15.005 2.687 -2.803 633 HH12 ARG 73 2HH1 ARG 73 16.255 3.512 -3.673 634 HH21 ARG 73 1HH2 ARG 73 14.361 6.417 -4.217 635 HH22 ARG 73 2HH2 ARG 73 15.885 5.632 -4.477 636 H THR 74 H THR 74 10.095 4.912 1.379 637 HA THR 74 HA THR 74 10.351 7.634 2.174 638 HB THR 74 HB THR 74 9.908 5.841 3.842 639 HG1 THR 74 HG1 THR 74 10.720 7.315 5.086 640 HG21 THR 74 1HG2 THR 74 11.695 4.371 4.670 641 HG22 THR 74 2HG2 THR 74 12.800 4.991 3.441 642 HG23 THR 74 3HG2 THR 74 11.388 4.047 2.963 643 H VAL 75 H VAL 75 12.028 8.983 1.919 644 HA VAL 75 HA VAL 75 14.639 7.967 0.992 645 HB VAL 75 HB VAL 75 13.814 9.642 -0.497 646 HG11 VAL 75 1HG1 VAL 75 13.360 11.507 1.853 647 HG12 VAL 75 2HG1 VAL 75 12.109 10.703 0.903 648 HG13 VAL 75 3HG1 VAL 75 13.143 11.918 0.149 649 HG21 VAL 75 1HG2 VAL 75 16.225 9.787 -0.023 650 HG22 VAL 75 2HG2 VAL 75 15.915 10.942 1.275 651 HG23 VAL 75 3HG2 VAL 75 15.564 11.384 -0.397 652 H GLY 76 H GLY 76 15.782 7.373 2.734 653 HA2 GLY 76 2HA GLY 76 16.166 9.297 4.977 654 HA3 GLY 76 3HA GLY 76 15.973 7.567 5.240 655 H SER 77 H SER 77 17.722 8.889 2.530 656 HA SER 77 HA SER 77 20.331 8.161 3.694 657 HB2 SER 77 2HB SER 77 19.288 7.179 0.988 658 HB3 SER 77 3HB SER 77 20.916 6.905 1.616 659 HG SER 77 HG SER 77 19.183 5.210 1.902 660 H LEU 78 H LEU 78 22.093 9.244 2.746 661 HA LEU 78 HA LEU 78 21.562 11.831 1.634 662 HB2 LEU 78 2HB LEU 78 23.438 11.464 3.197 663 HB3 LEU 78 3HB LEU 78 24.197 10.367 2.056 664 HG LEU 78 HG LEU 78 24.488 12.274 0.440 665 HD11 LEU 78 1HD1 LEU 78 22.627 13.677 1.149 666 HD12 LEU 78 2HD1 LEU 78 24.137 14.583 1.165 667 HD13 LEU 78 3HD1 LEU 78 23.435 14.014 2.683 668 HD21 LEU 78 1HD2 LEU 78 25.719 12.782 3.161 669 HD22 LEU 78 2HD2 LEU 78 26.319 13.394 1.616 670 HD23 LEU 78 3HD2 LEU 78 26.326 11.662 1.940 671 H GLU 79 H GLU 79 20.792 11.822 -0.385 672 HA GLU 79 HA GLU 79 21.711 10.135 -2.530 673 HB2 GLU 79 2HB GLU 79 19.951 12.633 -2.560 674 HB3 GLU 79 3HB GLU 79 20.171 11.529 -3.914 675 HG2 GLU 79 2HG GLU 79 18.912 10.819 -1.247 676 HG3 GLU 79 3HG GLU 79 18.033 11.143 -2.738 677 H HIS 80 H HIS 80 23.224 10.616 -4.071 678 HA HIS 80 HA HIS 80 24.895 12.975 -3.797 679 HB2 HIS 80 2HB HIS 80 24.966 10.689 -5.827 680 HB3 HIS 80 3HB HIS 80 26.145 11.997 -5.763 681 HD1 HIS 80 HD1 HIS 80 26.445 8.762 -5.209 682 HD2 HIS 80 HD2 HIS 80 26.747 11.901 -2.499 683 HE1 HIS 80 HE1 HIS 80 27.896 7.912 -3.344 684 HE2 HIS 80 HE2 HIS 80 28.201 9.880 -1.819 685 H HIS 81 H HIS 81 24.821 14.794 -5.087 686 HA HIS 81 HA HIS 81 22.599 15.277 -6.828 687 HB2 HIS 81 2HB HIS 81 25.217 16.848 -6.601 688 HB3 HIS 81 3HB HIS 81 23.746 17.411 -7.387 689 HD1 HIS 81 HD1 HIS 81 25.467 17.411 -4.178 690 HD2 HIS 81 HD2 HIS 81 21.541 17.821 -5.476 691 HE1 HIS 81 HE1 HIS 81 24.225 18.444 -2.258 692 HE2 HIS 81 HE2 HIS 81 21.830 18.528 -3.016 693 H HIS 82 H HIS 82 22.409 14.450 -8.842 694 HA HIS 82 HA HIS 82 24.837 13.761 -10.406 695 HB2 HIS 82 2HB HIS 82 23.392 12.364 -11.814 696 HB3 HIS 82 3HB HIS 82 23.194 11.917 -10.121 697 HD1 HIS 82 HD1 HIS 82 21.313 12.889 -13.102 698 HD2 HIS 82 HD2 HIS 82 20.663 12.923 -8.990 699 HE1 HIS 82 HE1 HIS 82 18.834 13.128 -12.803 700 HE2 HIS 82 HE2 HIS 82 18.466 13.024 -10.321 701 H HIS 83 H HIS 83 25.078 14.499 -12.515 702 HA HIS 83 HA HIS 83 24.041 17.126 -13.099 703 HB2 HIS 83 2HB HIS 83 25.739 15.273 -14.846 704 HB3 HIS 83 3HB HIS 83 25.528 17.009 -15.058 705 HD1 HIS 83 HD1 HIS 83 27.764 14.593 -13.560 706 HD2 HIS 83 HD2 HIS 83 26.672 18.520 -12.734 707 HE1 HIS 83 HE1 HIS 83 29.570 15.504 -12.077 708 HE2 HIS 83 HE2 HIS 83 28.977 17.918 -11.753 709 H HIS 84 H HIS 84 22.099 17.464 -14.138 710 HA HIS 84 HA HIS 84 20.644 15.372 -15.464 711 HB2 HIS 84 2HB HIS 84 19.441 17.254 -14.393 712 HB3 HIS 84 3HB HIS 84 20.149 18.388 -15.541 713 HD1 HIS 84 HD1 HIS 84 19.073 18.557 -17.839 714 HD2 HIS 84 HD2 HIS 84 17.469 15.491 -15.542 715 HE1 HIS 84 HE1 HIS 84 17.099 17.713 -19.121 716 HE2 HIS 84 HE2 HIS 84 16.041 16.013 -17.619 717 H HIS 85 H HIS 85 22.841 17.909 -16.463 718 HA HIS 85 HA HIS 85 22.659 17.597 -19.270 719 HB2 HIS 85 2HB HIS 85 23.772 19.549 -18.305 720 HB3 HIS 85 3HB HIS 85 24.974 18.533 -17.518 721 HD1 HIS 85 HD1 HIS 85 26.838 17.517 -19.026 722 HD2 HIS 85 HD2 HIS 85 24.276 20.107 -21.026 723 HE1 HIS 85 HE1 HIS 85 27.966 18.030 -21.205 724 HE2 HIS 85 HE2 HIS 85 26.306 19.423 -22.469 Start of MODEL 4 1 H1 MET 1 1H MET 1 -16.666 -8.342 0.971 2 H2 MET 1 2H MET 1 -18.066 -8.418 0.021 3 H3 MET 1 3H MET 1 -17.304 -9.840 0.521 4 HA MET 1 HA MET 1 -19.285 -9.433 1.791 5 HB2 MET 1 2HB MET 1 -17.370 -10.623 2.825 6 HB3 MET 1 3HB MET 1 -16.700 -9.094 3.373 7 HG2 MET 1 2HG MET 1 -18.631 -8.768 4.854 8 HG3 MET 1 3HG MET 1 -19.336 -10.279 4.276 9 HE1 MET 1 1HE MET 1 -19.619 -11.349 6.608 10 HE2 MET 1 2HE MET 1 -19.078 -9.833 7.333 11 HE3 MET 1 3HE MET 1 -18.371 -11.359 7.852 12 HA PRO 2 HA PRO 2 -20.043 -4.963 2.474 13 HB2 PRO 2 2HB PRO 2 -22.489 -5.245 3.773 14 HB3 PRO 2 3HB PRO 2 -22.297 -5.281 2.008 15 HG2 PRO 2 2HG PRO 2 -22.522 -7.588 3.918 16 HG3 PRO 2 3HG PRO 2 -23.299 -7.358 2.334 17 HD2 PRO 2 2HD PRO 2 -21.133 -8.929 2.592 18 HD3 PRO 2 3HD PRO 2 -21.374 -7.921 1.148 19 H SER 3 H SER 3 -18.318 -4.673 3.902 20 HA SER 3 HA SER 3 -18.976 -4.379 6.728 21 HB2 SER 3 2HB SER 3 -18.046 -6.703 6.606 22 HB3 SER 3 3HB SER 3 -16.599 -6.082 5.814 23 HG SER 3 HG SER 3 -17.023 -6.332 8.392 24 H GLU 4 H GLU 4 -17.378 -3.032 7.820 25 HA GLU 4 HA GLU 4 -16.041 -1.114 6.121 26 HB2 GLU 4 2HB GLU 4 -15.589 0.136 8.143 27 HB3 GLU 4 3HB GLU 4 -17.244 -0.443 8.201 28 HG2 GLU 4 2HG GLU 4 -16.681 -0.922 10.363 29 HG3 GLU 4 3HG GLU 4 -16.101 -2.420 9.640 30 H GLU 5 H GLU 5 -15.188 -3.926 8.044 31 HA GLU 5 HA GLU 5 -12.385 -3.756 8.100 32 HB2 GLU 5 2HB GLU 5 -14.090 -6.279 7.809 33 HB3 GLU 5 3HB GLU 5 -12.388 -6.250 8.257 34 HG2 GLU 5 2HG GLU 5 -12.995 -4.995 10.331 35 HG3 GLU 5 3HG GLU 5 -14.694 -5.146 9.885 36 H GLU 6 H GLU 6 -14.640 -4.694 5.602 37 HA GLU 6 HA GLU 6 -12.996 -6.037 3.817 38 HB2 GLU 6 2HB GLU 6 -15.500 -5.930 3.702 39 HB3 GLU 6 3HB GLU 6 -15.381 -4.271 3.124 40 HG2 GLU 6 2HG GLU 6 -15.790 -5.809 1.265 41 HG3 GLU 6 3HG GLU 6 -14.203 -5.056 1.093 42 H GLU 7 H GLU 7 -13.690 -2.566 4.125 43 HA GLU 7 HA GLU 7 -12.437 -1.534 1.888 44 HB2 GLU 7 2HB GLU 7 -12.530 -0.362 4.699 45 HB3 GLU 7 3HB GLU 7 -12.104 0.553 3.257 46 HG2 GLU 7 2HG GLU 7 -14.781 -0.780 3.758 47 HG3 GLU 7 3HG GLU 7 -14.436 0.930 3.985 48 H LYS 8 H LYS 8 -11.024 -2.196 5.067 49 HA LYS 8 HA LYS 8 -8.389 -1.318 4.494 50 HB2 LYS 8 2HB LYS 8 -9.439 -3.196 6.663 51 HB3 LYS 8 3HB LYS 8 -7.769 -2.646 6.585 52 HG2 LYS 8 2HG LYS 8 -8.936 -1.336 8.244 53 HG3 LYS 8 3HG LYS 8 -8.559 -0.289 6.877 54 HD2 LYS 8 2HD LYS 8 -10.857 -0.346 6.112 55 HD3 LYS 8 3HD LYS 8 -11.272 -1.607 7.271 56 HE2 LYS 8 2HE LYS 8 -10.390 1.179 8.093 57 HE3 LYS 8 3HE LYS 8 -12.075 0.719 7.855 58 HZ1 LYS 8 1HZ LYS 8 -10.222 -0.541 9.802 59 HZ2 LYS 8 2HZ LYS 8 -11.854 -0.930 9.586 60 HZ3 LYS 8 3HZ LYS 8 -11.419 0.593 10.176 61 H ARG 9 H ARG 9 -9.966 -4.515 4.426 62 HA ARG 9 HA ARG 9 -7.742 -6.146 3.866 63 HB2 ARG 9 2HB ARG 9 -10.680 -6.551 3.145 64 HB3 ARG 9 3HB ARG 9 -9.445 -7.785 2.903 65 HG2 ARG 9 2HG ARG 9 -8.980 -7.693 5.374 66 HG3 ARG 9 3HG ARG 9 -10.376 -6.626 5.540 67 HD2 ARG 9 2HD ARG 9 -10.458 -9.438 4.401 68 HD3 ARG 9 3HD ARG 9 -10.892 -9.006 6.054 69 HE ARG 9 HE ARG 9 -12.353 -7.960 3.681 70 HH11 ARG 9 1HH1 ARG 9 -12.384 -9.429 6.897 71 HH12 ARG 9 2HH1 ARG 9 -14.116 -9.400 7.024 72 HH21 ARG 9 1HH2 ARG 9 -14.657 -7.953 3.880 73 HH22 ARG 9 2HH2 ARG 9 -15.393 -8.568 5.328 74 H GLN 10 H GLN 10 -9.813 -4.262 1.737 75 HA GLN 10 HA GLN 10 -8.789 -5.301 -0.747 76 HB2 GLN 10 2HB GLN 10 -10.408 -2.791 -0.125 77 HB3 GLN 10 3HB GLN 10 -10.026 -3.341 -1.754 78 HG2 GLN 10 2HG GLN 10 -11.348 -5.349 -1.461 79 HG3 GLN 10 3HG GLN 10 -11.614 -4.978 0.245 80 HE21 GLN 10 1HE2 GLN 10 -12.975 -3.187 0.780 81 HE22 GLN 10 2HE2 GLN 10 -14.140 -2.578 -0.336 82 H VAL 11 H VAL 11 -8.329 -2.220 1.049 83 HA VAL 11 HA VAL 11 -6.724 -0.949 -0.901 84 HB VAL 11 HB VAL 11 -6.839 -0.312 2.092 85 HG11 VAL 11 1HG1 VAL 11 -4.969 0.810 0.892 86 HG12 VAL 11 2HG1 VAL 11 -6.171 1.956 1.476 87 HG13 VAL 11 3HG1 VAL 11 -6.135 1.510 -0.227 88 HG21 VAL 11 1HG2 VAL 11 -8.611 1.287 1.576 89 HG22 VAL 11 2HG2 VAL 11 -9.097 -0.326 1.062 90 HG23 VAL 11 3HG2 VAL 11 -8.551 0.843 -0.130 91 H LYS 12 H LYS 12 -5.826 -2.660 2.116 92 HA LYS 12 HA LYS 12 -3.015 -2.233 1.956 93 HB2 LYS 12 2HB LYS 12 -4.543 -4.444 3.394 94 HB3 LYS 12 3HB LYS 12 -2.837 -4.077 3.638 95 HG2 LYS 12 2HG LYS 12 -3.433 -1.853 4.516 96 HG3 LYS 12 3HG LYS 12 -5.144 -2.200 4.260 97 HD2 LYS 12 2HD LYS 12 -3.288 -3.715 6.144 98 HD3 LYS 12 3HD LYS 12 -4.490 -2.519 6.629 99 HE2 LYS 12 2HE LYS 12 -6.276 -4.007 5.679 100 HE3 LYS 12 3HE LYS 12 -5.037 -5.218 5.346 101 HZ1 LYS 12 1HZ LYS 12 -4.565 -5.345 7.706 102 HZ2 LYS 12 2HZ LYS 12 -6.205 -5.642 7.429 103 HZ3 LYS 12 3HZ LYS 12 -5.709 -4.147 8.034 104 H GLN 13 H GLN 13 -5.174 -4.692 0.646 105 HA GLN 13 HA GLN 13 -3.159 -6.566 -0.141 106 HB2 GLN 13 2HB GLN 13 -5.593 -7.141 0.193 107 HB3 GLN 13 3HB GLN 13 -5.975 -6.256 -1.275 108 HG2 GLN 13 2HG GLN 13 -4.531 -7.838 -2.555 109 HG3 GLN 13 3HG GLN 13 -4.263 -8.747 -1.063 110 HE21 GLN 13 1HE2 GLN 13 -7.345 -7.295 -2.096 111 HE22 GLN 13 2HE2 GLN 13 -8.176 -8.793 -2.312 112 H VAL 14 H VAL 14 -4.959 -3.997 -1.869 113 HA VAL 14 HA VAL 14 -3.796 -4.250 -4.421 114 HB VAL 14 HB VAL 14 -4.710 -1.661 -3.027 115 HG11 VAL 14 1HG1 VAL 14 -4.288 -2.186 -5.990 116 HG12 VAL 14 2HG1 VAL 14 -3.284 -1.160 -4.964 117 HG13 VAL 14 3HG1 VAL 14 -4.957 -0.706 -5.297 118 HG21 VAL 14 1HG2 VAL 14 -6.851 -1.920 -4.231 119 HG22 VAL 14 2HG2 VAL 14 -6.550 -3.294 -3.168 120 HG23 VAL 14 3HG2 VAL 14 -6.294 -3.457 -4.901 121 H ALA 15 H ALA 15 -2.873 -2.340 -1.596 122 HA ALA 15 HA ALA 15 -0.726 -0.892 -2.627 123 HB1 ALA 15 1HB ALA 15 -1.246 -1.755 0.241 124 HB2 ALA 15 2HB ALA 15 -1.947 -0.344 -0.552 125 HB3 ALA 15 3HB ALA 15 -0.208 -0.415 -0.277 126 H LYS 16 H LYS 16 -0.738 -4.000 -0.844 127 HA LYS 16 HA LYS 16 2.094 -4.320 -0.814 128 HB2 LYS 16 2HB LYS 16 1.720 -6.554 0.047 129 HB3 LYS 16 3HB LYS 16 0.595 -5.452 0.824 130 HG2 LYS 16 2HG LYS 16 -1.211 -6.254 -0.611 131 HG3 LYS 16 3HG LYS 16 -0.104 -7.344 -1.439 132 HD2 LYS 16 2HD LYS 16 -0.809 -7.489 1.525 133 HD3 LYS 16 3HD LYS 16 -1.525 -8.488 0.263 134 HE2 LYS 16 2HE LYS 16 0.705 -9.458 -0.226 135 HE3 LYS 16 3HE LYS 16 1.403 -8.482 1.073 136 HZ1 LYS 16 1HZ LYS 16 -0.794 -10.452 1.491 137 HZ2 LYS 16 2HZ LYS 16 0.100 -9.646 2.683 138 HZ3 LYS 16 3HZ LYS 16 0.845 -10.810 1.711 139 H GLU 17 H GLU 17 -0.486 -5.376 -3.011 140 HA GLU 17 HA GLU 17 1.036 -7.152 -4.615 141 HB2 GLU 17 2HB GLU 17 -1.517 -5.600 -5.199 142 HB3 GLU 17 3HB GLU 17 -0.776 -6.665 -6.394 143 HG2 GLU 17 2HG GLU 17 -1.004 -8.557 -4.803 144 HG3 GLU 17 3HG GLU 17 -1.820 -7.485 -3.673 145 H LYS 18 H LYS 18 0.587 -3.646 -4.719 146 HA LYS 18 HA LYS 18 1.833 -3.223 -7.257 147 HB2 LYS 18 2HB LYS 18 1.561 -1.270 -4.934 148 HB3 LYS 18 3HB LYS 18 1.959 -0.845 -6.596 149 HG2 LYS 18 2HG LYS 18 -0.654 -1.892 -5.524 150 HG3 LYS 18 3HG LYS 18 -0.338 -0.316 -6.230 151 HD2 LYS 18 2HD LYS 18 -0.297 -2.968 -7.735 152 HD3 LYS 18 3HD LYS 18 -1.610 -1.795 -7.750 153 HE2 LYS 18 2HE LYS 18 -0.100 -0.123 -8.776 154 HE3 LYS 18 3HE LYS 18 1.194 -1.327 -8.811 155 HZ1 LYS 18 1HZ LYS 18 -1.414 -1.510 -10.227 156 HZ2 LYS 18 2HZ LYS 18 -0.227 -2.713 -10.227 157 HZ3 LYS 18 3HZ LYS 18 0.089 -1.215 -10.944 158 H LEU 19 H LEU 19 2.970 -3.316 -3.928 159 HA LEU 19 HA LEU 19 5.720 -2.756 -4.485 160 HB2 LEU 19 2HB LEU 19 4.407 -4.147 -2.118 161 HB3 LEU 19 3HB LEU 19 6.081 -3.616 -2.164 162 HG LEU 19 HG LEU 19 3.591 -1.879 -2.121 163 HD11 LEU 19 1HD1 LEU 19 4.339 -2.692 0.056 164 HD12 LEU 19 2HD1 LEU 19 4.566 -0.950 -0.077 165 HD13 LEU 19 3HD1 LEU 19 5.953 -2.034 -0.229 166 HD21 LEU 19 1HD2 LEU 19 6.437 -0.956 -2.631 167 HD22 LEU 19 2HD2 LEU 19 5.054 0.095 -2.308 168 HD23 LEU 19 3HD2 LEU 19 5.084 -0.889 -3.768 169 H LEU 20 H LEU 20 3.750 -5.611 -4.686 170 HA LEU 20 HA LEU 20 5.967 -7.477 -4.964 171 HB2 LEU 20 2HB LEU 20 2.955 -7.825 -5.280 172 HB3 LEU 20 3HB LEU 20 4.110 -9.134 -5.479 173 HG LEU 20 HG LEU 20 3.680 -7.576 -2.899 174 HD11 LEU 20 1HD1 LEU 20 2.596 -9.580 -2.018 175 HD12 LEU 20 2HD1 LEU 20 2.757 -10.381 -3.585 176 HD13 LEU 20 3HD1 LEU 20 1.731 -8.953 -3.421 177 HD21 LEU 20 1HD2 LEU 20 5.977 -8.394 -3.077 178 HD22 LEU 20 2HD2 LEU 20 5.394 -10.029 -3.394 179 HD23 LEU 20 3HD2 LEU 20 5.092 -9.269 -1.829 180 H GLU 21 H GLU 21 4.056 -5.454 -7.090 181 HA GLU 21 HA GLU 21 4.834 -6.718 -9.552 182 HB2 GLU 21 2HB GLU 21 4.211 -3.753 -9.116 183 HB3 GLU 21 3HB GLU 21 4.239 -4.595 -10.659 184 HG2 GLU 21 2HG GLU 21 2.211 -4.871 -8.436 185 HG3 GLU 21 3HG GLU 21 1.956 -4.231 -10.054 186 H GLN 22 H GLN 22 6.139 -4.160 -7.510 187 HA GLN 22 HA GLN 22 8.429 -3.546 -9.153 188 HB2 GLN 22 2HB GLN 22 7.766 -2.727 -6.287 189 HB3 GLN 22 3HB GLN 22 9.021 -2.012 -7.295 190 HG2 GLN 22 2HG GLN 22 7.330 -1.150 -8.846 191 HG3 GLN 22 3HG GLN 22 6.051 -1.919 -7.909 192 HE21 GLN 22 1HE2 GLN 22 5.511 -1.036 -5.852 193 HE22 GLN 22 2HE2 GLN 22 5.955 0.578 -5.421 194 H SER 23 H SER 23 7.761 -5.615 -6.395 195 HA SER 23 HA SER 23 10.404 -6.820 -6.411 196 HB2 SER 23 2HB SER 23 9.399 -5.307 -3.957 197 HB3 SER 23 3HB SER 23 10.836 -6.316 -4.001 198 HG SER 23 HG SER 23 10.365 -3.860 -5.310 199 HA PRO 24 HA PRO 24 6.873 -9.721 -5.267 200 HB2 PRO 24 2HB PRO 24 7.559 -11.786 -6.946 201 HB3 PRO 24 3HB PRO 24 6.632 -10.370 -7.487 202 HG2 PRO 24 2HG PRO 24 9.569 -10.909 -7.797 203 HG3 PRO 24 3HG PRO 24 8.408 -10.292 -8.995 204 HD2 PRO 24 2HD PRO 24 10.089 -8.639 -7.631 205 HD3 PRO 24 3HD PRO 24 8.467 -8.128 -8.146 206 H ASN 25 H ASN 25 10.347 -10.189 -5.395 207 HA ASN 25 HA ASN 25 10.339 -12.632 -3.798 208 HB2 ASN 25 2HB ASN 25 12.605 -10.947 -4.951 209 HB3 ASN 25 3HB ASN 25 12.887 -12.350 -3.934 210 HD21 ASN 25 1HD2 ASN 25 10.361 -12.139 -6.437 211 HD22 ASN 25 2HD2 ASN 25 11.069 -13.321 -7.470 212 H SER 26 H SER 26 10.107 -9.357 -3.096 213 HA SER 26 HA SER 26 11.655 -9.400 -0.622 214 HB2 SER 26 2HB SER 26 9.974 -7.183 -1.867 215 HB3 SER 26 3HB SER 26 11.070 -7.010 -0.495 216 HG SER 26 HG SER 26 12.790 -7.399 -1.810 217 H LYS 27 H LYS 27 10.782 -9.159 1.435 218 HA LYS 27 HA LYS 27 8.089 -10.232 1.806 219 HB2 LYS 27 2HB LYS 27 10.028 -11.201 3.046 220 HB3 LYS 27 3HB LYS 27 10.305 -9.653 3.824 221 HG2 LYS 27 2HG LYS 27 9.235 -11.025 5.427 222 HG3 LYS 27 3HG LYS 27 8.018 -9.875 4.893 223 HD2 LYS 27 2HD LYS 27 8.149 -12.638 3.652 224 HD3 LYS 27 3HD LYS 27 7.394 -12.410 5.226 225 HE2 LYS 27 2HE LYS 27 6.541 -11.051 2.646 226 HE3 LYS 27 3HE LYS 27 5.725 -12.403 3.423 227 HZ1 LYS 27 1HZ LYS 27 6.078 -9.732 4.665 228 HZ2 LYS 27 2HZ LYS 27 5.199 -11.030 5.291 229 HZ3 LYS 27 3HZ LYS 27 4.670 -10.258 3.886 230 H VAL 28 H VAL 28 6.485 -8.797 1.847 231 HA VAL 28 HA VAL 28 6.908 -6.004 2.668 232 HB VAL 28 HB VAL 28 4.566 -7.298 1.171 233 HG11 VAL 28 1HG1 VAL 28 3.858 -5.285 2.398 234 HG12 VAL 28 2HG1 VAL 28 3.836 -5.002 0.656 235 HG13 VAL 28 3HG1 VAL 28 5.152 -4.352 1.638 236 HG21 VAL 28 1HG2 VAL 28 6.636 -7.339 -0.174 237 HG22 VAL 28 2HG2 VAL 28 6.840 -5.603 0.065 238 HG23 VAL 28 3HG2 VAL 28 5.461 -6.209 -0.857 239 H GLN 29 H GLN 29 6.263 -5.416 4.625 240 HA GLN 29 HA GLN 29 4.349 -6.990 6.239 241 HB2 GLN 29 2HB GLN 29 6.190 -4.701 7.104 242 HB3 GLN 29 3HB GLN 29 5.285 -5.775 8.163 243 HG2 GLN 29 2HG GLN 29 7.639 -6.540 6.416 244 HG3 GLN 29 3HG GLN 29 7.667 -6.322 8.164 245 HE21 GLN 29 1HE2 GLN 29 8.415 -8.658 6.628 246 HE22 GLN 29 2HE2 GLN 29 7.420 -9.956 7.186 247 H VAL 30 H VAL 30 2.442 -5.964 7.019 248 HA VAL 30 HA VAL 30 1.678 -3.351 5.996 249 HB VAL 30 HB VAL 30 0.323 -5.020 8.185 250 HG11 VAL 30 1HG1 VAL 30 -0.781 -2.678 6.572 251 HG12 VAL 30 2HG1 VAL 30 -0.335 -2.642 8.280 252 HG13 VAL 30 3HG1 VAL 30 -1.685 -3.643 7.746 253 HG21 VAL 30 1HG2 VAL 30 0.409 -6.269 6.066 254 HG22 VAL 30 2HG2 VAL 30 -0.322 -4.908 5.211 255 HG23 VAL 30 3HG2 VAL 30 -1.247 -5.781 6.435 256 H ARG 31 H ARG 31 2.772 -1.617 6.785 257 HA ARG 31 HA ARG 31 3.999 -1.632 9.432 258 HB2 ARG 31 2HB ARG 31 5.236 -0.711 7.503 259 HB3 ARG 31 3HB ARG 31 3.973 0.483 7.234 260 HG2 ARG 31 2HG ARG 31 5.850 1.557 8.314 261 HG3 ARG 31 3HG ARG 31 4.503 1.500 9.451 262 HD2 ARG 31 2HD ARG 31 5.595 -0.592 10.447 263 HD3 ARG 31 3HD ARG 31 7.006 -0.225 9.442 264 HE ARG 31 HE ARG 31 6.003 1.876 11.213 265 HH11 ARG 31 1HH1 ARG 31 8.466 -0.598 10.689 266 HH12 ARG 31 2HH1 ARG 31 9.535 0.061 11.881 267 HH21 ARG 31 1HH2 ARG 31 7.392 2.699 12.769 268 HH22 ARG 31 2HH2 ARG 31 8.919 1.934 13.058 269 H ARG 32 H ARG 32 1.825 0.637 7.736 270 HA ARG 32 HA ARG 32 0.092 1.009 10.063 271 HB2 ARG 32 2HB ARG 32 1.612 3.301 8.728 272 HB3 ARG 32 3HB ARG 32 0.191 3.557 9.724 273 HG2 ARG 32 2HG ARG 32 2.751 2.292 10.743 274 HG3 ARG 32 3HG ARG 32 2.397 4.015 10.837 275 HD2 ARG 32 2HD ARG 32 1.867 3.108 12.971 276 HD3 ARG 32 3HD ARG 32 0.328 3.420 12.172 277 HE ARG 32 HE ARG 32 1.543 0.727 12.247 278 HH11 ARG 32 1HH1 ARG 32 -1.234 2.798 12.895 279 HH12 ARG 32 2HH1 ARG 32 -2.267 1.471 13.318 280 HH21 ARG 32 1HH2 ARG 32 0.153 -0.993 12.778 281 HH22 ARG 32 2HH2 ARG 32 -1.483 -0.666 13.253 282 H VAL 33 H VAL 33 -1.846 2.401 9.398 283 HA VAL 33 HA VAL 33 -2.387 2.511 6.487 284 HB VAL 33 HB VAL 33 -4.463 1.551 8.544 285 HG11 VAL 33 1HG1 VAL 33 -4.712 1.795 5.519 286 HG12 VAL 33 2HG1 VAL 33 -5.497 2.829 6.715 287 HG13 VAL 33 3HG1 VAL 33 -5.933 1.125 6.605 288 HG21 VAL 33 1HG2 VAL 33 -3.069 -0.090 6.395 289 HG22 VAL 33 2HG2 VAL 33 -4.372 -0.655 7.446 290 HG23 VAL 33 3HG2 VAL 33 -2.807 -0.221 8.136 291 H GLN 34 H GLN 34 -2.690 4.634 6.065 292 HA GLN 34 HA GLN 34 -3.830 6.441 8.122 293 HB2 GLN 34 2HB GLN 34 -1.504 6.968 7.344 294 HB3 GLN 34 3HB GLN 34 -2.087 7.109 5.689 295 HG2 GLN 34 2HG GLN 34 -1.752 9.313 6.720 296 HG3 GLN 34 3HG GLN 34 -3.445 9.054 6.310 297 HE21 GLN 34 1HE2 GLN 34 -1.160 9.417 8.925 298 HE22 GLN 34 2HE2 GLN 34 -2.327 9.603 10.185 299 H LYS 35 H LYS 35 -5.963 6.793 7.761 300 HA LYS 35 HA LYS 35 -7.128 6.514 5.073 301 HB2 LYS 35 2HB LYS 35 -7.983 5.410 7.299 302 HB3 LYS 35 3HB LYS 35 -8.648 6.989 7.672 303 HG2 LYS 35 2HG LYS 35 -9.358 5.391 5.193 304 HG3 LYS 35 3HG LYS 35 -10.261 5.322 6.704 305 HD2 LYS 35 2HD LYS 35 -10.770 7.742 6.498 306 HD3 LYS 35 3HD LYS 35 -9.892 7.790 4.964 307 HE2 LYS 35 2HE LYS 35 -12.314 7.639 4.593 308 HE3 LYS 35 3HE LYS 35 -11.505 6.191 3.994 309 HZ1 LYS 35 1HZ LYS 35 -13.540 5.683 5.206 310 HZ2 LYS 35 2HZ LYS 35 -12.918 6.416 6.597 311 HZ3 LYS 35 3HZ LYS 35 -12.194 5.021 5.977 312 H GLN 36 H GLN 36 -7.043 8.381 3.882 313 HA GLN 36 HA GLN 36 -7.693 10.982 5.162 314 HB2 GLN 36 2HB GLN 36 -5.658 10.405 2.966 315 HB3 GLN 36 3HB GLN 36 -6.160 12.029 3.427 316 HG2 GLN 36 2HG GLN 36 -4.809 10.033 5.276 317 HG3 GLN 36 3HG GLN 36 -3.991 11.354 4.439 318 HE21 GLN 36 1HE2 GLN 36 -4.420 10.755 7.349 319 HE22 GLN 36 2HE2 GLN 36 -5.057 12.208 8.010 320 H GLY 37 H GLY 37 -9.887 10.583 4.667 321 HA2 GLY 37 2HA GLY 37 -11.795 11.078 3.513 322 HA3 GLY 37 3HA GLY 37 -10.798 11.804 2.262 323 H ASN 38 H ASN 38 -10.708 10.789 0.347 324 HA ASN 38 HA ASN 38 -11.965 8.151 0.012 325 HB2 ASN 38 2HB ASN 38 -11.003 10.099 -2.132 326 HB3 ASN 38 3HB ASN 38 -12.005 8.667 -2.382 327 HD21 ASN 38 1HD2 ASN 38 -14.198 8.710 -1.566 328 HD22 ASN 38 2HD2 ASN 38 -15.006 10.213 -1.298 329 H THR 39 H THR 39 -8.851 9.711 -0.076 330 HA THR 39 HA THR 39 -7.495 7.422 -1.311 331 HB THR 39 HB THR 39 -6.322 10.077 -0.363 332 HG1 THR 39 HG1 THR 39 -7.730 9.429 -2.622 333 HG21 THR 39 1HG2 THR 39 -4.407 9.482 -1.845 334 HG22 THR 39 2HG2 THR 39 -5.139 7.905 -2.144 335 HG23 THR 39 3HG2 THR 39 -4.591 8.331 -0.520 336 H ILE 40 H ILE 40 -7.545 5.814 0.244 337 HA ILE 40 HA ILE 40 -6.465 6.254 2.921 338 HB ILE 40 HB ILE 40 -7.233 3.609 1.593 339 HG12 ILE 40 2HG1 ILE 40 -8.916 5.430 3.378 340 HG13 ILE 40 3HG1 ILE 40 -9.198 5.104 1.673 341 HG21 ILE 40 1HG2 ILE 40 -6.802 4.286 4.529 342 HG22 ILE 40 2HG2 ILE 40 -5.712 3.336 3.515 343 HG23 ILE 40 3HG2 ILE 40 -7.320 2.720 3.901 344 HD11 ILE 40 1HD1 ILE 40 -9.435 3.094 3.916 345 HD12 ILE 40 2HD1 ILE 40 -9.720 2.776 2.202 346 HD13 ILE 40 3HD1 ILE 40 -10.759 3.902 3.074 347 H ARG 41 H ARG 41 -4.359 6.580 2.971 348 HA ARG 41 HA ARG 41 -2.443 5.379 1.129 349 HB2 ARG 41 2HB ARG 41 -2.048 7.319 3.457 350 HB3 ARG 41 3HB ARG 41 -0.826 6.884 2.265 351 HG2 ARG 41 2HG ARG 41 -2.193 7.930 0.495 352 HG3 ARG 41 3HG ARG 41 -3.396 8.389 1.702 353 HD2 ARG 41 2HD ARG 41 -1.844 9.877 2.795 354 HD3 ARG 41 3HD ARG 41 -0.494 9.271 1.827 355 HE ARG 41 HE ARG 41 -1.567 10.278 -0.130 356 HH11 ARG 41 1HH1 ARG 41 -2.581 11.530 2.999 357 HH12 ARG 41 2HH1 ARG 41 -3.096 13.054 2.349 358 HH21 ARG 41 1HH2 ARG 41 -2.178 12.260 -0.951 359 HH22 ARG 41 2HH2 ARG 41 -2.864 13.471 0.091 360 H VAL 42 H VAL 42 -2.293 3.190 1.737 361 HA VAL 42 HA VAL 42 -1.773 2.452 4.508 362 HB VAL 42 HB VAL 42 -1.571 0.710 1.999 363 HG11 VAL 42 1HG1 VAL 42 -1.635 -1.217 3.550 364 HG12 VAL 42 2HG1 VAL 42 -1.622 -0.118 4.933 365 HG13 VAL 42 3HG1 VAL 42 -0.222 -0.206 3.861 366 HG21 VAL 42 1HG2 VAL 42 -3.755 -0.203 2.710 367 HG22 VAL 42 2HG2 VAL 42 -3.847 1.520 2.333 368 HG23 VAL 42 3HG2 VAL 42 -3.817 0.983 4.019 369 H GLU 43 H GLU 43 0.138 2.552 5.388 370 HA GLU 43 HA GLU 43 2.614 2.873 3.854 371 HB2 GLU 43 2HB GLU 43 2.058 2.936 6.864 372 HB3 GLU 43 3HB GLU 43 3.586 3.373 6.098 373 HG2 GLU 43 2HG GLU 43 2.538 5.288 4.998 374 HG3 GLU 43 3HG GLU 43 0.955 4.799 5.592 375 H LEU 44 H LEU 44 3.866 1.112 3.439 376 HA LEU 44 HA LEU 44 3.636 -1.315 5.127 377 HB2 LEU 44 2HB LEU 44 4.097 -1.488 2.116 378 HB3 LEU 44 3HB LEU 44 3.718 -2.772 3.244 379 HG LEU 44 HG LEU 44 1.429 -1.370 3.529 380 HD11 LEU 44 1HD1 LEU 44 0.683 -0.400 1.417 381 HD12 LEU 44 2HD1 LEU 44 2.271 -0.687 0.699 382 HD13 LEU 44 3HD1 LEU 44 2.098 0.448 2.039 383 HD21 LEU 44 1HD2 LEU 44 0.355 -2.836 1.892 384 HD22 LEU 44 2HD2 LEU 44 1.535 -3.719 2.860 385 HD23 LEU 44 3HD2 LEU 44 1.932 -3.248 1.206 386 H GLU 45 H GLU 45 5.542 -2.523 5.304 387 HA GLU 45 HA GLU 45 8.012 -1.031 4.643 388 HB2 GLU 45 2HB GLU 45 7.440 -1.318 7.045 389 HB3 GLU 45 3HB GLU 45 7.479 -3.068 6.848 390 HG2 GLU 45 2HG GLU 45 9.859 -3.033 6.389 391 HG3 GLU 45 3HG GLU 45 9.867 -1.268 6.319 392 H LEU 46 H LEU 46 8.825 -1.831 2.850 393 HA LEU 46 HA LEU 46 8.583 -4.641 2.077 394 HB2 LEU 46 2HB LEU 46 7.963 -2.836 0.500 395 HB3 LEU 46 3HB LEU 46 9.579 -2.170 0.576 396 HG LEU 46 HG LEU 46 9.116 -4.984 -0.505 397 HD11 LEU 46 1HD1 LEU 46 8.937 -4.069 -2.769 398 HD12 LEU 46 2HD1 LEU 46 8.963 -2.423 -2.131 399 HD13 LEU 46 3HD1 LEU 46 7.613 -3.496 -1.758 400 HD21 LEU 46 1HD2 LEU 46 11.460 -4.365 -0.087 401 HD22 LEU 46 2HD2 LEU 46 11.278 -2.928 -1.094 402 HD23 LEU 46 3HD2 LEU 46 11.155 -4.536 -1.816 403 H ARG 47 H ARG 47 10.100 -5.886 2.879 404 HA ARG 47 HA ARG 47 12.791 -4.904 3.554 405 HB2 ARG 47 2HB ARG 47 11.312 -7.433 4.413 406 HB3 ARG 47 3HB ARG 47 12.906 -6.945 4.981 407 HG2 ARG 47 2HG ARG 47 11.927 -4.972 6.080 408 HG3 ARG 47 3HG ARG 47 10.327 -5.422 5.478 409 HD2 ARG 47 2HD ARG 47 10.406 -7.509 6.784 410 HD3 ARG 47 3HD ARG 47 12.031 -7.107 7.351 411 HE ARG 47 HE ARG 47 10.220 -5.030 8.005 412 HH11 ARG 47 1HH1 ARG 47 11.056 -8.314 9.006 413 HH12 ARG 47 2HH1 ARG 47 10.499 -8.078 10.633 414 HH21 ARG 47 1HH2 ARG 47 9.542 -4.736 10.127 415 HH22 ARG 47 2HH2 ARG 47 9.639 -6.042 11.270 416 H THR 48 H THR 48 14.404 -5.470 2.283 417 HA THR 48 HA THR 48 14.378 -7.974 0.691 418 HB THR 48 HB THR 48 15.756 -5.407 -0.236 419 HG1 THR 48 HG1 THR 48 13.410 -5.146 -0.007 420 HG21 THR 48 1HG2 THR 48 14.799 -7.843 -1.799 421 HG22 THR 48 2HG2 THR 48 16.476 -7.517 -1.352 422 HG23 THR 48 3HG2 THR 48 15.635 -6.444 -2.474 423 H ASN 49 H ASN 49 16.770 -8.635 0.182 424 HA ASN 49 HA ASN 49 18.298 -8.792 2.553 425 HB2 ASN 49 2HB ASN 49 19.120 -9.343 -0.326 426 HB3 ASN 49 3HB ASN 49 20.112 -9.745 1.072 427 HD21 ASN 49 1HD2 ASN 49 19.025 -11.520 -0.947 428 HD22 ASN 49 2HD2 ASN 49 18.039 -12.669 -0.109 429 H GLY 50 H GLY 50 18.968 -6.950 3.476 430 HA2 GLY 50 2HA GLY 50 20.722 -5.408 3.844 431 HA3 GLY 50 3HA GLY 50 21.021 -5.317 2.116 432 H LYS 51 H LYS 51 17.783 -5.058 2.195 433 HA LYS 51 HA LYS 51 17.787 -2.117 2.610 434 HB2 LYS 51 2HB LYS 51 16.071 -3.743 0.665 435 HB3 LYS 51 3HB LYS 51 15.873 -2.023 0.985 436 HG2 LYS 51 2HG LYS 51 18.320 -1.773 0.188 437 HG3 LYS 51 3HG LYS 51 18.150 -3.410 -0.444 438 HD2 LYS 51 2HD LYS 51 16.440 -1.008 -1.205 439 HD3 LYS 51 3HD LYS 51 17.697 -1.736 -2.203 440 HE2 LYS 51 2HE LYS 51 16.394 -3.748 -2.504 441 HE3 LYS 51 3HE LYS 51 15.218 -3.238 -1.289 442 HZ1 LYS 51 1HZ LYS 51 15.697 -1.852 -3.876 443 HZ2 LYS 51 2HZ LYS 51 14.527 -1.439 -2.724 444 HZ3 LYS 51 3HZ LYS 51 14.417 -2.909 -3.561 445 H LYS 52 H LYS 52 16.262 -1.251 3.893 446 HA LYS 52 HA LYS 52 13.811 -2.747 4.564 447 HB2 LYS 52 2HB LYS 52 15.349 -2.902 6.535 448 HB3 LYS 52 3HB LYS 52 15.518 -1.150 6.548 449 HG2 LYS 52 2HG LYS 52 13.078 -0.947 7.037 450 HG3 LYS 52 3HG LYS 52 12.970 -2.712 7.111 451 HD2 LYS 52 2HD LYS 52 14.549 -2.748 9.007 452 HD3 LYS 52 3HD LYS 52 14.742 -0.995 8.905 453 HE2 LYS 52 2HE LYS 52 12.330 -0.732 9.427 454 HE3 LYS 52 3HE LYS 52 12.195 -2.482 9.595 455 HZ1 LYS 52 1HZ LYS 52 13.891 -0.708 11.266 456 HZ2 LYS 52 2HZ LYS 52 13.767 -2.385 11.429 457 HZ3 LYS 52 3HZ LYS 52 12.424 -1.407 11.730 458 H GLU 53 H GLU 53 12.516 -1.573 3.280 459 HA GLU 53 HA GLU 53 12.751 1.394 3.189 460 HB2 GLU 53 2HB GLU 53 11.642 -0.496 1.062 461 HB3 GLU 53 3HB GLU 53 11.865 1.243 0.904 462 HG2 GLU 53 2HG GLU 53 14.267 1.010 0.908 463 HG3 GLU 53 3HG GLU 53 14.149 -0.704 1.310 464 H ASN 54 H ASN 54 10.892 2.579 3.525 465 HA ASN 54 HA ASN 54 8.346 1.137 4.032 466 HB2 ASN 54 2HB ASN 54 9.442 3.724 5.233 467 HB3 ASN 54 3HB ASN 54 7.748 3.278 5.351 468 HD21 ASN 54 1HD2 ASN 54 10.601 1.117 5.686 469 HD22 ASN 54 2HD2 ASN 54 10.248 0.671 7.312 470 H TYR 55 H TYR 55 6.961 1.329 2.409 471 HA TYR 55 HA TYR 55 6.921 3.691 0.623 472 HB2 TYR 55 2HB TYR 55 5.819 0.863 0.262 473 HB3 TYR 55 3HB TYR 55 5.603 2.164 -0.898 474 HD1 TYR 55 HD1 TYR 55 7.213 2.517 -2.590 475 HD2 TYR 55 HD2 TYR 55 8.249 0.055 0.737 476 HE1 TYR 55 HE1 TYR 55 9.241 1.798 -3.753 477 HE2 TYR 55 HE2 TYR 55 10.287 -0.660 -0.433 478 HH TYR 55 HH TYR 55 11.307 -0.745 -2.507 479 H THR 56 H THR 56 5.324 5.106 1.167 480 HA THR 56 HA THR 56 2.757 4.255 2.261 481 HB THR 56 HB THR 56 3.687 7.027 1.362 482 HG1 THR 56 HG1 THR 56 4.627 5.654 3.340 483 HG21 THR 56 1HG2 THR 56 1.212 6.847 1.534 484 HG22 THR 56 2HG2 THR 56 1.871 7.879 2.803 485 HG23 THR 56 3HG2 THR 56 1.377 6.231 3.186 486 H VAL 57 H VAL 57 1.623 3.138 0.713 487 HA VAL 57 HA VAL 57 1.491 4.064 -2.067 488 HB VAL 57 HB VAL 57 0.169 1.591 -0.837 489 HG11 VAL 57 1HG1 VAL 57 -0.031 0.802 -3.179 490 HG12 VAL 57 2HG1 VAL 57 0.659 2.322 -3.752 491 HG13 VAL 57 3HG1 VAL 57 -0.903 2.319 -2.932 492 HG21 VAL 57 1HG2 VAL 57 2.807 1.748 -2.340 493 HG22 VAL 57 2HG2 VAL 57 2.014 0.270 -1.792 494 HG23 VAL 57 3HG2 VAL 57 2.620 1.436 -0.612 495 H GLU 58 H GLU 58 0.182 5.668 -2.313 496 HA GLU 58 HA GLU 58 -2.194 6.248 -0.801 497 HB2 GLU 58 2HB GLU 58 -1.178 7.522 -3.391 498 HB3 GLU 58 3HB GLU 58 -2.303 8.244 -2.241 499 HG2 GLU 58 2HG GLU 58 -0.492 8.366 -0.552 500 HG3 GLU 58 3HG GLU 58 0.618 7.612 -1.691 501 H VAL 59 H VAL 59 -3.855 4.812 -1.152 502 HA VAL 59 HA VAL 59 -4.639 4.071 -3.927 503 HB VAL 59 HB VAL 59 -5.426 2.656 -1.340 504 HG11 VAL 59 1HG1 VAL 59 -5.647 1.732 -4.218 505 HG12 VAL 59 2HG1 VAL 59 -6.978 2.260 -3.187 506 HG13 VAL 59 3HG1 VAL 59 -6.094 0.784 -2.796 507 HG21 VAL 59 1HG2 VAL 59 -3.194 1.816 -3.223 508 HG22 VAL 59 2HG2 VAL 59 -3.768 0.906 -1.819 509 HG23 VAL 59 3HG2 VAL 59 -2.983 2.472 -1.595 510 H GLU 60 H GLU 60 -6.677 4.732 -4.616 511 HA GLU 60 HA GLU 60 -8.393 6.224 -2.688 512 HB2 GLU 60 2HB GLU 60 -7.158 7.728 -4.179 513 HB3 GLU 60 3HB GLU 60 -7.737 6.859 -5.595 514 HG2 GLU 60 2HG GLU 60 -10.046 7.598 -5.113 515 HG3 GLU 60 3HG GLU 60 -9.485 8.451 -3.676 516 H ARG 61 H ARG 61 -10.565 5.889 -2.797 517 HA ARG 61 HA ARG 61 -11.628 3.597 -4.176 518 HB2 ARG 61 2HB ARG 61 -12.422 4.284 -1.926 519 HB3 ARG 61 3HB ARG 61 -13.038 5.794 -2.587 520 HG2 ARG 61 2HG ARG 61 -14.884 4.291 -2.253 521 HG3 ARG 61 3HG ARG 61 -14.634 4.483 -3.986 522 HD2 ARG 61 2HD ARG 61 -14.674 2.213 -4.112 523 HD3 ARG 61 3HD ARG 61 -13.090 2.221 -3.353 524 HE ARG 61 HE ARG 61 -14.054 1.570 -1.345 525 HH11 ARG 61 1HH1 ARG 61 -16.603 2.155 -3.695 526 HH12 ARG 61 2HH1 ARG 61 -17.819 1.376 -2.734 527 HH21 ARG 61 1HH2 ARG 61 -15.662 0.561 -0.112 528 HH22 ARG 61 2HH2 ARG 61 -17.287 0.481 -0.721 529 H GLN 62 H GLN 62 -12.076 3.664 -6.295 530 HA GLN 62 HA GLN 62 -13.571 5.957 -7.453 531 HB2 GLN 62 2HB GLN 62 -11.741 3.924 -8.824 532 HB3 GLN 62 3HB GLN 62 -12.743 5.082 -9.689 533 HG2 GLN 62 2HG GLN 62 -10.456 5.762 -7.813 534 HG3 GLN 62 3HG GLN 62 -10.410 5.836 -9.569 535 HE21 GLN 62 1HE2 GLN 62 -11.417 7.449 -6.681 536 HE22 GLN 62 2HE2 GLN 62 -11.961 8.902 -7.437 537 H GLY 63 H GLY 63 -15.687 5.441 -7.419 538 HA2 GLY 63 2HA GLY 63 -17.669 4.305 -7.476 539 HA3 GLY 63 3HA GLY 63 -16.895 3.174 -8.581 540 H ASN 64 H ASN 64 -16.858 1.111 -7.821 541 HA ASN 64 HA ASN 64 -16.908 0.517 -4.943 542 HB2 ASN 64 2HB ASN 64 -18.345 -0.770 -6.582 543 HB3 ASN 64 3HB ASN 64 -16.888 -1.407 -7.327 544 HD21 ASN 64 1HD2 ASN 64 -19.029 -1.621 -4.595 545 HD22 ASN 64 2HD2 ASN 64 -18.329 -3.043 -3.906 546 H THR 65 H THR 65 -14.702 0.587 -7.662 547 HA THR 65 HA THR 65 -12.810 -1.344 -6.573 548 HB THR 65 HB THR 65 -11.562 -0.942 -8.685 549 HG1 THR 65 HG1 THR 65 -13.593 1.014 -9.146 550 HG21 THR 65 1HG2 THR 65 -14.544 -1.373 -9.117 551 HG22 THR 65 2HG2 THR 65 -13.370 -2.624 -8.700 552 HG23 THR 65 3HG2 THR 65 -13.272 -1.805 -10.260 553 H TRP 66 H TRP 66 -10.357 -0.654 -6.854 554 HA TRP 66 HA TRP 66 -9.867 1.904 -5.424 555 HB2 TRP 66 2HB TRP 66 -8.732 -0.855 -4.742 556 HB3 TRP 66 3HB TRP 66 -8.171 0.653 -4.034 557 HD1 TRP 66 HD1 TRP 66 -11.043 -1.862 -3.797 558 HE1 TRP 66 HE1 TRP 66 -12.469 -1.297 -1.730 559 HE3 TRP 66 HE3 TRP 66 -8.984 2.673 -2.576 560 HZ2 TRP 66 HZ2 TRP 66 -12.698 0.769 0.148 561 HZ3 TRP 66 HZ3 TRP 66 -9.884 3.886 -0.628 562 HH2 TRP 66 HH2 TRP 66 -11.715 2.948 0.699 563 H THR 67 H THR 67 -8.670 3.087 -6.809 564 HA THR 67 HA THR 67 -6.660 1.859 -8.581 565 HB THR 67 HB THR 67 -8.267 3.598 -9.477 566 HG1 THR 67 HG1 THR 67 -6.754 4.129 -10.853 567 HG21 THR 67 1HG2 THR 67 -6.650 5.564 -7.800 568 HG22 THR 67 2HG2 THR 67 -8.336 5.125 -7.515 569 HG23 THR 67 3HG2 THR 67 -7.886 5.979 -8.990 570 H VAL 68 H VAL 68 -4.481 2.794 -8.698 571 HA VAL 68 HA VAL 68 -3.431 3.698 -6.090 572 HB VAL 68 HB VAL 68 -1.884 2.637 -8.506 573 HG11 VAL 68 1HG1 VAL 68 -0.935 3.168 -5.658 574 HG12 VAL 68 2HG1 VAL 68 -0.519 4.126 -7.081 575 HG13 VAL 68 3HG1 VAL 68 0.031 2.454 -6.953 576 HG21 VAL 68 1HG2 VAL 68 -1.652 0.553 -7.223 577 HG22 VAL 68 2HG2 VAL 68 -3.349 0.910 -7.538 578 HG23 VAL 68 3HG2 VAL 68 -2.666 1.208 -5.938 579 H LYS 69 H LYS 69 -3.041 5.757 -5.858 580 HA LYS 69 HA LYS 69 -3.049 7.647 -8.052 581 HB2 LYS 69 2HB LYS 69 -2.732 8.065 -5.044 582 HB3 LYS 69 3HB LYS 69 -3.002 9.333 -6.237 583 HG2 LYS 69 2HG LYS 69 -4.932 7.086 -5.582 584 HG3 LYS 69 3HG LYS 69 -5.076 8.755 -5.033 585 HD2 LYS 69 2HD LYS 69 -5.146 7.874 -7.950 586 HD3 LYS 69 3HD LYS 69 -6.569 8.208 -6.962 587 HE2 LYS 69 2HE LYS 69 -4.408 10.232 -7.641 588 HE3 LYS 69 3HE LYS 69 -5.982 10.112 -8.429 589 HZ1 LYS 69 1HZ LYS 69 -5.904 11.826 -6.693 590 HZ2 LYS 69 2HZ LYS 69 -5.607 10.637 -5.531 591 HZ3 LYS 69 3HZ LYS 69 -7.064 10.641 -6.387 592 H ARG 70 H ARG 70 -0.782 6.823 -5.386 593 HA ARG 70 HA ARG 70 1.518 6.901 -7.095 594 HB2 ARG 70 2HB ARG 70 1.158 9.356 -6.746 595 HB3 ARG 70 3HB ARG 70 1.265 9.120 -5.008 596 HG2 ARG 70 2HG ARG 70 3.353 10.035 -5.880 597 HG3 ARG 70 3HG ARG 70 3.626 8.409 -5.247 598 HD2 ARG 70 2HD ARG 70 4.817 8.779 -7.375 599 HD3 ARG 70 3HD ARG 70 3.606 7.502 -7.535 600 HE ARG 70 HE ARG 70 2.695 10.149 -8.278 601 HH11 ARG 70 1HH1 ARG 70 4.268 7.243 -9.547 602 HH12 ARG 70 2HH1 ARG 70 3.809 7.580 -11.185 603 HH21 ARG 70 1HH2 ARG 70 2.035 10.500 -10.410 604 HH22 ARG 70 2HH2 ARG 70 2.544 9.423 -11.670 605 H ILE 71 H ILE 71 3.238 5.829 -6.179 606 HA ILE 71 HA ILE 71 3.010 4.862 -3.390 607 HB ILE 71 HB ILE 71 4.823 3.857 -5.649 608 HG12 ILE 71 2HG1 ILE 71 2.248 2.610 -4.576 609 HG13 ILE 71 3HG1 ILE 71 2.392 3.453 -6.112 610 HG21 ILE 71 1HG2 ILE 71 5.775 3.402 -3.431 611 HG22 ILE 71 2HG2 ILE 71 5.225 1.899 -4.174 612 HG23 ILE 71 3HG2 ILE 71 4.260 2.662 -2.910 613 HD11 ILE 71 1HD1 ILE 71 3.736 0.863 -5.359 614 HD12 ILE 71 2HD1 ILE 71 3.969 1.729 -6.881 615 HD13 ILE 71 3HD1 ILE 71 2.380 1.091 -6.463 616 H THR 72 H THR 72 3.978 6.323 -2.092 617 HA THR 72 HA THR 72 6.368 7.821 -2.920 618 HB THR 72 HB THR 72 4.535 8.166 -0.487 619 HG1 THR 72 HG1 THR 72 3.266 8.925 -2.037 620 HG21 THR 72 1HG2 THR 72 6.806 9.106 -0.104 621 HG22 THR 72 2HG2 THR 72 5.582 10.372 -0.210 622 HG23 THR 72 3HG2 THR 72 6.650 10.066 -1.580 623 H ARG 73 H ARG 73 8.154 6.496 -2.551 624 HA ARG 73 HA ARG 73 8.427 4.947 -0.083 625 HB2 ARG 73 2HB ARG 73 9.360 4.120 -2.291 626 HB3 ARG 73 3HB ARG 73 10.524 5.439 -2.242 627 HG2 ARG 73 2HG ARG 73 11.258 4.474 0.053 628 HG3 ARG 73 3HG ARG 73 10.329 3.040 -0.394 629 HD2 ARG 73 2HD ARG 73 12.673 2.712 -0.936 630 HD3 ARG 73 3HD ARG 73 11.737 2.805 -2.434 631 HE ARG 73 HE ARG 73 12.592 5.377 -1.959 632 HH11 ARG 73 1HH1 ARG 73 14.242 2.279 -2.376 633 HH12 ARG 73 2HH1 ARG 73 15.665 3.018 -3.045 634 HH21 ARG 73 1HH2 ARG 73 14.438 6.306 -2.857 635 HH22 ARG 73 2HH2 ARG 73 15.777 5.305 -3.319 636 H THR 74 H THR 74 9.846 5.440 1.571 637 HA THR 74 HA THR 74 10.642 8.088 2.139 638 HB THR 74 HB THR 74 10.329 6.448 3.940 639 HG1 THR 74 HG1 THR 74 11.692 8.071 4.538 640 HG21 THR 74 1HG2 THR 74 11.953 4.635 4.396 641 HG22 THR 74 2HG2 THR 74 12.817 5.022 2.906 642 HG23 THR 74 3HG2 THR 74 11.171 4.393 2.831 643 H VAL 75 H VAL 75 12.555 9.203 1.774 644 HA VAL 75 HA VAL 75 14.280 8.280 -0.359 645 HB VAL 75 HB VAL 75 14.528 10.840 1.300 646 HG11 VAL 75 1HG1 VAL 75 15.736 10.161 -1.412 647 HG12 VAL 75 2HG1 VAL 75 16.611 10.299 0.115 648 HG13 VAL 75 3HG1 VAL 75 15.853 11.725 -0.595 649 HG21 VAL 75 1HG2 VAL 75 12.322 10.756 0.206 650 HG22 VAL 75 2HG2 VAL 75 13.087 10.459 -1.357 651 HG23 VAL 75 3HG2 VAL 75 13.337 11.999 -0.531 652 H GLY 76 H GLY 76 15.636 6.652 0.244 653 HA2 GLY 76 2HA GLY 76 16.819 6.348 2.825 654 HA3 GLY 76 3HA GLY 76 17.238 5.454 1.372 655 H SER 77 H SER 77 18.197 7.239 -0.320 656 HA SER 77 HA SER 77 20.542 8.492 0.996 657 HB2 SER 77 2HB SER 77 20.373 7.237 -1.798 658 HB3 SER 77 3HB SER 77 21.814 7.921 -1.039 659 HG SER 77 HG SER 77 21.763 6.279 0.486 660 H LEU 78 H LEU 78 20.232 10.641 0.967 661 HA LEU 78 HA LEU 78 18.552 11.980 -0.964 662 HB2 LEU 78 2HB LEU 78 18.627 12.730 1.391 663 HB3 LEU 78 3HB LEU 78 20.337 13.101 1.237 664 HG LEU 78 HG LEU 78 19.800 14.909 -0.402 665 HD11 LEU 78 1HD1 LEU 78 16.902 14.216 0.136 666 HD12 LEU 78 2HD1 LEU 78 17.772 14.025 -1.388 667 HD13 LEU 78 3HD1 LEU 78 17.474 15.636 -0.744 668 HD21 LEU 78 1HD2 LEU 78 18.291 15.177 2.223 669 HD22 LEU 78 2HD2 LEU 78 18.811 16.509 1.186 670 HD23 LEU 78 3HD2 LEU 78 20.011 15.487 1.973 671 H GLU 79 H GLU 79 19.360 12.000 -2.967 672 HA GLU 79 HA GLU 79 22.124 12.489 -3.641 673 HB2 GLU 79 2HB GLU 79 19.610 12.405 -5.365 674 HB3 GLU 79 3HB GLU 79 21.254 12.480 -5.995 675 HG2 GLU 79 2HG GLU 79 21.755 10.285 -5.020 676 HG3 GLU 79 3HG GLU 79 20.146 10.208 -4.309 677 H HIS 80 H HIS 80 22.594 14.476 -2.682 678 HA HIS 80 HA HIS 80 21.516 16.888 -3.990 679 HB2 HIS 80 2HB HIS 80 20.261 16.544 -1.831 680 HB3 HIS 80 3HB HIS 80 21.789 16.587 -0.957 681 HD1 HIS 80 HD1 HIS 80 19.350 18.790 -2.764 682 HD2 HIS 80 HD2 HIS 80 22.843 19.163 -0.554 683 HE1 HIS 80 HE1 HIS 80 19.602 21.244 -2.301 684 HE2 HIS 80 HE2 HIS 80 21.867 21.442 -1.236 685 H HIS 81 H HIS 81 22.997 18.550 -4.173 686 HA HIS 81 HA HIS 81 25.779 17.792 -4.188 687 HB2 HIS 81 2HB HIS 81 24.378 20.394 -4.981 688 HB3 HIS 81 3HB HIS 81 26.099 20.096 -5.209 689 HD1 HIS 81 HD1 HIS 81 26.499 19.676 -7.605 690 HD2 HIS 81 HD2 HIS 81 22.962 17.903 -6.337 691 HE1 HIS 81 HE1 HIS 81 25.587 18.476 -9.610 692 HE2 HIS 81 HE2 HIS 81 23.416 17.472 -8.835 693 H HIS 82 H HIS 82 27.441 18.654 -2.969 694 HA HIS 82 HA HIS 82 26.727 19.758 -0.354 695 HB2 HIS 82 2HB HIS 82 29.423 18.841 -1.456 696 HB3 HIS 82 3HB HIS 82 29.128 19.337 0.206 697 HD1 HIS 82 HD1 HIS 82 28.123 17.625 1.787 698 HD2 HIS 82 HD2 HIS 82 28.296 16.308 -2.148 699 HE1 HIS 82 HE1 HIS 82 27.624 15.165 1.872 700 HE2 HIS 82 HE2 HIS 82 27.764 14.389 -0.518 701 H HIS 83 H HIS 83 27.453 21.730 0.453 702 HA HIS 83 HA HIS 83 28.052 23.850 -1.414 703 HB2 HIS 83 2HB HIS 83 27.995 25.344 0.554 704 HB3 HIS 83 3HB HIS 83 26.605 24.269 0.573 705 HD1 HIS 83 HD1 HIS 83 26.208 23.017 2.701 706 HD2 HIS 83 HD2 HIS 83 30.082 24.511 2.507 707 HE1 HIS 83 HE1 HIS 83 27.222 22.572 4.951 708 HE2 HIS 83 HE2 HIS 83 29.499 23.627 4.853 709 H HIS 84 H HIS 84 29.900 25.266 -1.279 710 HA HIS 84 HA HIS 84 32.440 23.948 -0.674 711 HB2 HIS 84 2HB HIS 84 31.865 26.754 -1.769 712 HB3 HIS 84 3HB HIS 84 33.467 26.031 -1.620 713 HD1 HIS 84 HD1 HIS 84 30.826 26.480 -4.000 714 HD2 HIS 84 HD2 HIS 84 33.646 23.516 -3.242 715 HE1 HIS 84 HE1 HIS 84 30.903 25.076 -6.076 716 HE2 HIS 84 HE2 HIS 84 32.426 23.164 -5.489 717 H HIS 85 H HIS 85 31.118 27.183 0.148 718 HA HIS 85 HA HIS 85 31.956 26.851 2.965 719 HB2 HIS 85 2HB HIS 85 32.405 29.337 1.234 720 HB3 HIS 85 3HB HIS 85 32.612 29.297 2.981 721 HD1 HIS 85 HD1 HIS 85 34.760 28.277 3.895 722 HD2 HIS 85 HD2 HIS 85 34.407 27.917 -0.232 723 HE1 HIS 85 HE1 HIS 85 37.010 27.521 3.081 724 HE2 HIS 85 HE2 HIS 85 36.753 27.234 0.596 Start of MODEL 5 1 H1 MET 1 1H MET 1 -23.299 -5.316 6.380 2 H2 MET 1 2H MET 1 -24.427 -4.287 7.098 3 H3 MET 1 3H MET 1 -24.307 -5.893 7.606 4 HA MET 1 HA MET 1 -23.286 -4.420 9.194 5 HB2 MET 1 2HB MET 1 -21.257 -6.104 7.651 6 HB3 MET 1 3HB MET 1 -21.063 -5.556 9.312 7 HG2 MET 1 2HG MET 1 -21.706 -7.860 9.379 8 HG3 MET 1 3HG MET 1 -23.101 -6.923 9.909 9 HE1 MET 1 1HE MET 1 -21.574 -9.200 7.091 10 HE2 MET 1 2HE MET 1 -21.693 -7.661 6.237 11 HE3 MET 1 3HE MET 1 -22.744 -9.006 5.790 12 HA PRO 2 HA PRO 2 -20.964 -0.782 7.656 13 HB2 PRO 2 2HB PRO 2 -19.246 -1.135 10.109 14 HB3 PRO 2 3HB PRO 2 -20.143 0.297 9.555 15 HG2 PRO 2 2HG PRO 2 -21.032 -1.107 11.626 16 HG3 PRO 2 3HG PRO 2 -22.170 -0.455 10.422 17 HD2 PRO 2 2HD PRO 2 -21.143 -3.283 10.700 18 HD3 PRO 2 3HD PRO 2 -22.794 -2.714 10.356 19 H SER 3 H SER 3 -19.673 -1.204 5.935 20 HA SER 3 HA SER 3 -17.525 -3.204 6.038 21 HB2 SER 3 2HB SER 3 -17.429 -2.759 3.551 22 HB3 SER 3 3HB SER 3 -19.006 -3.306 4.120 23 HG SER 3 HG SER 3 -19.313 -1.570 2.767 24 H GLU 4 H GLU 4 -17.158 -0.814 7.560 25 HA GLU 4 HA GLU 4 -15.637 1.160 6.171 26 HB2 GLU 4 2HB GLU 4 -15.639 0.826 9.203 27 HB3 GLU 4 3HB GLU 4 -15.496 2.305 8.267 28 HG2 GLU 4 2HG GLU 4 -17.983 0.680 8.825 29 HG3 GLU 4 3HG GLU 4 -17.648 2.344 9.292 30 H GLU 5 H GLU 5 -14.879 -1.439 8.481 31 HA GLU 5 HA GLU 5 -12.049 -1.185 8.434 32 HB2 GLU 5 2HB GLU 5 -13.274 -2.293 10.277 33 HB3 GLU 5 3HB GLU 5 -13.787 -3.573 9.183 34 HG2 GLU 5 2HG GLU 5 -11.419 -4.258 8.888 35 HG3 GLU 5 3HG GLU 5 -10.916 -2.979 9.992 36 H GLU 6 H GLU 6 -14.397 -2.926 6.485 37 HA GLU 6 HA GLU 6 -12.825 -4.908 5.303 38 HB2 GLU 6 2HB GLU 6 -15.214 -3.446 4.110 39 HB3 GLU 6 3HB GLU 6 -14.545 -4.958 3.503 40 HG2 GLU 6 2HG GLU 6 -15.901 -4.502 6.171 41 HG3 GLU 6 3HG GLU 6 -16.523 -5.421 4.800 42 H GLU 7 H GLU 7 -13.344 -1.536 4.402 43 HA GLU 7 HA GLU 7 -12.132 -1.298 1.923 44 HB2 GLU 7 2HB GLU 7 -11.912 0.685 4.231 45 HB3 GLU 7 3HB GLU 7 -11.662 1.051 2.521 46 HG2 GLU 7 2HG GLU 7 -14.004 0.545 2.045 47 HG3 GLU 7 3HG GLU 7 -14.268 0.119 3.742 48 H LYS 8 H LYS 8 -10.636 -1.096 5.141 49 HA LYS 8 HA LYS 8 -7.987 -0.500 4.316 50 HB2 LYS 8 2HB LYS 8 -8.969 -1.721 6.950 51 HB3 LYS 8 3HB LYS 8 -7.309 -1.214 6.659 52 HG2 LYS 8 2HG LYS 8 -8.383 0.505 7.943 53 HG3 LYS 8 3HG LYS 8 -8.123 1.127 6.312 54 HD2 LYS 8 2HD LYS 8 -10.484 0.749 5.755 55 HD3 LYS 8 3HD LYS 8 -10.764 -0.001 7.325 56 HE2 LYS 8 2HE LYS 8 -9.976 2.894 6.899 57 HE3 LYS 8 3HE LYS 8 -11.617 2.323 7.197 58 HZ1 LYS 8 1HZ LYS 8 -10.716 3.092 9.225 59 HZ2 LYS 8 2HZ LYS 8 -9.310 2.181 9.034 60 HZ3 LYS 8 3HZ LYS 8 -10.779 1.403 9.323 61 H ARG 9 H ARG 9 -9.678 -3.493 5.121 62 HA ARG 9 HA ARG 9 -7.553 -5.334 5.055 63 HB2 ARG 9 2HB ARG 9 -10.486 -5.824 4.354 64 HB3 ARG 9 3HB ARG 9 -9.312 -7.061 4.805 65 HG2 ARG 9 2HG ARG 9 -9.118 -6.103 7.056 66 HG3 ARG 9 3HG ARG 9 -10.222 -4.798 6.617 67 HD2 ARG 9 2HD ARG 9 -11.468 -6.401 7.893 68 HD3 ARG 9 3HD ARG 9 -11.998 -6.545 6.215 69 HE ARG 9 HE ARG 9 -9.909 -8.393 6.753 70 HH11 ARG 9 1HH1 ARG 9 -13.343 -7.937 7.390 71 HH12 ARG 9 2HH1 ARG 9 -13.641 -9.637 7.575 72 HH21 ARG 9 1HH2 ARG 9 -10.321 -10.589 7.083 73 HH22 ARG 9 2HH2 ARG 9 -11.936 -11.133 7.404 74 H GLN 10 H GLN 10 -9.737 -4.185 2.508 75 HA GLN 10 HA GLN 10 -8.776 -5.749 0.341 76 HB2 GLN 10 2HB GLN 10 -10.221 -3.059 0.366 77 HB3 GLN 10 3HB GLN 10 -9.946 -4.013 -1.090 78 HG2 GLN 10 2HG GLN 10 -11.424 -5.729 -0.389 79 HG3 GLN 10 3HG GLN 10 -11.439 -5.151 1.278 80 HE21 GLN 10 1HE2 GLN 10 -13.685 -4.985 1.355 81 HE22 GLN 10 2HE2 GLN 10 -14.560 -3.774 0.489 82 H VAL 11 H VAL 11 -8.028 -2.465 1.458 83 HA VAL 11 HA VAL 11 -6.472 -1.697 -0.788 84 HB VAL 11 HB VAL 11 -6.725 -0.436 1.983 85 HG11 VAL 11 1HG1 VAL 11 -5.770 1.626 0.977 86 HG12 VAL 11 2HG1 VAL 11 -5.448 0.736 -0.512 87 HG13 VAL 11 3HG1 VAL 11 -4.607 0.299 0.971 88 HG21 VAL 11 1HG2 VAL 11 -8.812 -0.475 0.656 89 HG22 VAL 11 2HG2 VAL 11 -7.983 0.327 -0.676 90 HG23 VAL 11 3HG2 VAL 11 -8.213 1.172 0.856 91 H LYS 12 H LYS 12 -5.592 -3.040 2.394 92 HA LYS 12 HA LYS 12 -2.796 -2.689 2.273 93 HB2 LYS 12 2HB LYS 12 -4.427 -4.881 3.619 94 HB3 LYS 12 3HB LYS 12 -2.695 -4.658 3.865 95 HG2 LYS 12 2HG LYS 12 -3.113 -2.413 4.793 96 HG3 LYS 12 3HG LYS 12 -4.848 -2.635 4.563 97 HD2 LYS 12 2HD LYS 12 -3.064 -4.319 6.369 98 HD3 LYS 12 3HD LYS 12 -4.171 -3.056 6.911 99 HE2 LYS 12 2HE LYS 12 -6.086 -4.373 6.077 100 HE3 LYS 12 3HE LYS 12 -4.983 -5.626 5.502 101 HZ1 LYS 12 1HZ LYS 12 -5.322 -4.799 8.327 102 HZ2 LYS 12 2HZ LYS 12 -4.293 -6.015 7.771 103 HZ3 LYS 12 3HZ LYS 12 -5.965 -6.191 7.627 104 H GLN 13 H GLN 13 -4.931 -5.165 0.951 105 HA GLN 13 HA GLN 13 -2.887 -6.871 -0.094 106 HB2 GLN 13 2HB GLN 13 -5.147 -7.734 0.341 107 HB3 GLN 13 3HB GLN 13 -5.832 -6.624 -0.840 108 HG2 GLN 13 2HG GLN 13 -4.597 -7.788 -2.642 109 HG3 GLN 13 3HG GLN 13 -3.905 -8.884 -1.448 110 HE21 GLN 13 1HE2 GLN 13 -7.271 -7.777 -1.449 111 HE22 GLN 13 2HE2 GLN 13 -7.949 -9.322 -1.802 112 H VAL 14 H VAL 14 -5.000 -4.352 -1.567 113 HA VAL 14 HA VAL 14 -4.115 -4.476 -4.215 114 HB VAL 14 HB VAL 14 -5.052 -1.977 -2.697 115 HG11 VAL 14 1HG1 VAL 14 -5.716 -1.071 -4.914 116 HG12 VAL 14 2HG1 VAL 14 -5.000 -2.476 -5.704 117 HG13 VAL 14 3HG1 VAL 14 -3.973 -1.345 -4.824 118 HG21 VAL 14 1HG2 VAL 14 -6.705 -3.947 -4.335 119 HG22 VAL 14 2HG2 VAL 14 -7.314 -2.472 -3.577 120 HG23 VAL 14 3HG2 VAL 14 -6.721 -3.798 -2.579 121 H ALA 15 H ALA 15 -2.803 -2.774 -1.449 122 HA ALA 15 HA ALA 15 -0.883 -1.155 -2.781 123 HB1 ALA 15 1HB ALA 15 -0.094 -0.635 -0.508 124 HB2 ALA 15 2HB ALA 15 -1.073 -1.952 0.146 125 HB3 ALA 15 3HB ALA 15 -1.854 -0.555 -0.597 126 H LYS 16 H LYS 16 -0.663 -4.227 -0.934 127 HA LYS 16 HA LYS 16 2.168 -4.413 -1.033 128 HB2 LYS 16 2HB LYS 16 1.958 -6.630 -0.099 129 HB3 LYS 16 3HB LYS 16 0.769 -5.592 0.672 130 HG2 LYS 16 2HG LYS 16 -1.018 -6.578 -0.634 131 HG3 LYS 16 3HG LYS 16 0.125 -7.540 -1.564 132 HD2 LYS 16 2HD LYS 16 -0.332 -7.811 1.436 133 HD3 LYS 16 3HD LYS 16 -1.078 -8.836 0.209 134 HE2 LYS 16 2HE LYS 16 1.207 -9.573 -0.514 135 HE3 LYS 16 3HE LYS 16 1.900 -8.611 0.795 136 HZ1 LYS 16 1HZ LYS 16 0.682 -9.962 2.379 137 HZ2 LYS 16 2HZ LYS 16 1.695 -10.918 1.427 138 HZ3 LYS 16 3HZ LYS 16 0.029 -10.897 1.130 139 H GLU 17 H GLU 17 -0.413 -5.550 -3.156 140 HA GLU 17 HA GLU 17 1.016 -7.374 -4.760 141 HB2 GLU 17 2HB GLU 17 -1.392 -5.632 -5.459 142 HB3 GLU 17 3HB GLU 17 -0.747 -6.881 -6.527 143 HG2 GLU 17 2HG GLU 17 -1.198 -8.580 -4.783 144 HG3 GLU 17 3HG GLU 17 -1.899 -7.333 -3.762 145 H LYS 18 H LYS 18 0.588 -3.847 -4.976 146 HA LYS 18 HA LYS 18 1.833 -3.521 -7.523 147 HB2 LYS 18 2HB LYS 18 1.609 -1.408 -5.339 148 HB3 LYS 18 3HB LYS 18 1.831 -1.129 -7.066 149 HG2 LYS 18 2HG LYS 18 -0.609 -2.261 -5.708 150 HG3 LYS 18 3HG LYS 18 -0.449 -0.665 -6.425 151 HD2 LYS 18 2HD LYS 18 -0.303 -1.646 -8.666 152 HD3 LYS 18 3HD LYS 18 -0.301 -3.273 -7.982 153 HE2 LYS 18 2HE LYS 18 -2.592 -2.891 -7.107 154 HE3 LYS 18 3HE LYS 18 -2.597 -1.286 -7.848 155 HZ1 LYS 18 1HZ LYS 18 -2.246 -3.832 -9.331 156 HZ2 LYS 18 2HZ LYS 18 -2.395 -2.286 -10.004 157 HZ3 LYS 18 3HZ LYS 18 -3.705 -2.990 -9.201 158 H LEU 19 H LEU 19 3.017 -3.422 -4.187 159 HA LEU 19 HA LEU 19 5.722 -2.735 -4.789 160 HB2 LEU 19 2HB LEU 19 4.527 -4.157 -2.380 161 HB3 LEU 19 3HB LEU 19 6.196 -3.603 -2.472 162 HG LEU 19 HG LEU 19 3.708 -1.845 -2.498 163 HD11 LEU 19 1HD1 LEU 19 4.267 -2.705 -0.279 164 HD12 LEU 19 2HD1 LEU 19 4.566 -0.970 -0.375 165 HD13 LEU 19 3HD1 LEU 19 5.920 -2.104 -0.441 166 HD21 LEU 19 1HD2 LEU 19 5.377 -0.888 -4.013 167 HD22 LEU 19 2HD2 LEU 19 6.620 -1.012 -2.763 168 HD23 LEU 19 3HD2 LEU 19 5.253 0.082 -2.547 169 H LEU 20 H LEU 20 3.961 -5.764 -4.728 170 HA LEU 20 HA LEU 20 6.293 -7.458 -5.103 171 HB2 LEU 20 2HB LEU 20 3.314 -8.056 -5.336 172 HB3 LEU 20 3HB LEU 20 4.581 -9.267 -5.467 173 HG LEU 20 HG LEU 20 4.029 -7.609 -2.973 174 HD11 LEU 20 1HD1 LEU 20 3.119 -9.648 -1.978 175 HD12 LEU 20 2HD1 LEU 20 3.324 -10.506 -3.509 176 HD13 LEU 20 3HD1 LEU 20 2.189 -9.155 -3.393 177 HD21 LEU 20 1HD2 LEU 20 5.937 -9.942 -3.367 178 HD22 LEU 20 2HD2 LEU 20 5.575 -9.154 -1.829 179 HD23 LEU 20 3HD2 LEU 20 6.384 -8.253 -3.108 180 H GLU 21 H GLU 21 4.216 -5.584 -7.138 181 HA GLU 21 HA GLU 21 4.913 -6.942 -9.615 182 HB2 GLU 21 2HB GLU 21 3.516 -4.308 -8.997 183 HB3 GLU 21 3HB GLU 21 3.879 -4.814 -10.647 184 HG2 GLU 21 2HG GLU 21 2.447 -6.732 -10.475 185 HG3 GLU 21 3HG GLU 21 2.259 -6.520 -8.738 186 H GLN 22 H GLN 22 5.840 -3.938 -7.933 187 HA GLN 22 HA GLN 22 7.882 -3.162 -9.776 188 HB2 GLN 22 2HB GLN 22 7.368 -2.302 -6.896 189 HB3 GLN 22 3HB GLN 22 8.545 -1.541 -7.964 190 HG2 GLN 22 2HG GLN 22 6.711 -0.894 -9.497 191 HG3 GLN 22 3HG GLN 22 5.546 -1.624 -8.398 192 HE21 GLN 22 1HE2 GLN 22 6.917 -0.634 -5.969 193 HE22 GLN 22 2HE2 GLN 22 6.580 1.055 -5.910 194 H SER 23 H SER 23 7.774 -5.349 -7.058 195 HA SER 23 HA SER 23 10.489 -6.219 -7.516 196 HB2 SER 23 2HB SER 23 10.538 -4.163 -5.886 197 HB3 SER 23 3HB SER 23 9.897 -5.286 -4.691 198 HG SER 23 HG SER 23 11.721 -6.509 -4.863 199 HA PRO 24 HA PRO 24 7.380 -9.558 -6.446 200 HB2 PRO 24 2HB PRO 24 8.605 -11.497 -8.050 201 HB3 PRO 24 3HB PRO 24 7.378 -10.347 -8.616 202 HG2 PRO 24 2HG PRO 24 10.373 -10.158 -8.846 203 HG3 PRO 24 3HG PRO 24 9.125 -9.834 -10.076 204 HD2 PRO 24 2HD PRO 24 10.278 -7.802 -8.773 205 HD3 PRO 24 3HD PRO 24 8.535 -7.763 -9.134 206 H ASN 25 H ASN 25 10.910 -9.740 -6.364 207 HA ASN 25 HA ASN 25 11.010 -12.186 -4.843 208 HB2 ASN 25 2HB ASN 25 13.193 -10.166 -5.487 209 HB3 ASN 25 3HB ASN 25 13.471 -11.731 -4.724 210 HD21 ASN 25 1HD2 ASN 25 13.147 -13.645 -5.977 211 HD22 ASN 25 2HD2 ASN 25 13.134 -13.584 -7.707 212 H SER 26 H SER 26 10.556 -8.913 -3.996 213 HA SER 26 HA SER 26 11.812 -8.938 -1.407 214 HB2 SER 26 2HB SER 26 9.827 -7.008 -2.670 215 HB3 SER 26 3HB SER 26 10.702 -6.722 -1.161 216 HG SER 26 HG SER 26 12.236 -5.993 -2.354 217 H LYS 27 H LYS 27 10.828 -9.001 0.608 218 HA LYS 27 HA LYS 27 8.078 -10.057 0.780 219 HB2 LYS 27 2HB LYS 27 10.358 -10.137 2.792 220 HB3 LYS 27 3HB LYS 27 8.724 -10.686 3.145 221 HG2 LYS 27 2HG LYS 27 10.369 -11.878 0.886 222 HG3 LYS 27 3HG LYS 27 10.468 -12.461 2.540 223 HD2 LYS 27 2HD LYS 27 8.972 -13.943 1.410 224 HD3 LYS 27 3HD LYS 27 7.970 -12.932 2.444 225 HE2 LYS 27 2HE LYS 27 6.984 -13.344 0.177 226 HE3 LYS 27 3HE LYS 27 7.224 -11.631 0.514 227 HZ1 LYS 27 1HZ LYS 27 9.359 -11.843 -0.754 228 HZ2 LYS 27 2HZ LYS 27 7.955 -12.027 -1.671 229 HZ3 LYS 27 3HZ LYS 27 8.853 -13.386 -1.227 230 H VAL 28 H VAL 28 6.581 -8.721 1.269 231 HA VAL 28 HA VAL 28 7.149 -6.056 2.392 232 HB VAL 28 HB VAL 28 4.662 -7.060 0.917 233 HG11 VAL 28 1HG1 VAL 28 5.475 -4.232 1.678 234 HG12 VAL 28 2HG1 VAL 28 4.170 -5.165 2.412 235 HG13 VAL 28 3HG1 VAL 28 4.055 -4.669 0.721 236 HG21 VAL 28 1HG2 VAL 28 6.628 -7.052 -0.585 237 HG22 VAL 28 2HG2 VAL 28 6.960 -5.372 -0.155 238 HG23 VAL 28 3HG2 VAL 28 5.487 -5.780 -1.038 239 H GLN 29 H GLN 29 6.131 -5.364 4.237 240 HA GLN 29 HA GLN 29 4.239 -7.128 5.684 241 HB2 GLN 29 2HB GLN 29 6.442 -7.429 6.735 242 HB3 GLN 29 3HB GLN 29 6.705 -5.690 6.787 243 HG2 GLN 29 2HG GLN 29 6.169 -6.527 9.013 244 HG3 GLN 29 3HG GLN 29 4.883 -5.464 8.452 245 HE21 GLN 29 1HE2 GLN 29 2.829 -6.347 8.045 246 HE22 GLN 29 2HE2 GLN 29 2.392 -7.941 8.547 247 H VAL 30 H VAL 30 2.369 -5.933 5.670 248 HA VAL 30 HA VAL 30 2.190 -3.148 5.318 249 HB VAL 30 HB VAL 30 0.141 -4.958 6.678 250 HG11 VAL 30 1HG1 VAL 30 -0.184 -2.177 5.473 251 HG12 VAL 30 2HG1 VAL 30 -0.301 -2.596 7.183 252 HG13 VAL 30 3HG1 VAL 30 -1.505 -3.192 6.047 253 HG21 VAL 30 1HG2 VAL 30 0.680 -5.742 4.392 254 HG22 VAL 30 2HG2 VAL 30 0.339 -4.133 3.750 255 HG23 VAL 30 3HG2 VAL 30 -0.960 -5.089 4.465 256 H ARG 31 H ARG 31 2.791 -1.588 6.656 257 HA ARG 31 HA ARG 31 3.531 -2.222 9.421 258 HB2 ARG 31 2HB ARG 31 5.166 -1.184 7.778 259 HB3 ARG 31 3HB ARG 31 4.182 0.276 7.794 260 HG2 ARG 31 2HG ARG 31 6.085 0.571 9.272 261 HG3 ARG 31 3HG ARG 31 4.612 0.509 10.242 262 HD2 ARG 31 2HD ARG 31 5.114 -1.922 10.713 263 HD3 ARG 31 3HD ARG 31 6.655 -1.718 9.870 264 HE ARG 31 HE ARG 31 6.058 0.057 12.127 265 HH11 ARG 31 1HH1 ARG 31 7.897 -2.715 10.975 266 HH12 ARG 31 2HH1 ARG 31 9.005 -2.656 12.305 267 HH21 ARG 31 1HH2 ARG 31 7.523 0.111 13.835 268 HH22 ARG 31 2HH2 ARG 31 8.796 -1.066 13.917 269 H ARG 32 H ARG 32 1.622 0.212 7.611 270 HA ARG 32 HA ARG 32 -0.186 0.645 9.829 271 HB2 ARG 32 2HB ARG 32 1.794 2.145 10.346 272 HB3 ARG 32 3HB ARG 32 1.507 2.989 8.831 273 HG2 ARG 32 2HG ARG 32 0.598 4.271 10.703 274 HG3 ARG 32 3HG ARG 32 -0.714 3.719 9.660 275 HD2 ARG 32 2HD ARG 32 -1.142 1.844 11.255 276 HD3 ARG 32 3HD ARG 32 0.121 2.486 12.311 277 HE ARG 32 HE ARG 32 -1.939 4.407 11.706 278 HH11 ARG 32 1HH1 ARG 32 -1.154 1.697 13.815 279 HH12 ARG 32 2HH1 ARG 32 -2.234 2.213 15.071 280 HH21 ARG 32 1HH2 ARG 32 -3.346 5.065 13.364 281 HH22 ARG 32 2HH2 ARG 32 -3.477 4.122 14.815 282 H VAL 33 H VAL 33 -2.070 1.847 9.189 283 HA VAL 33 HA VAL 33 -2.419 2.412 6.291 284 HB VAL 33 HB VAL 33 -4.471 1.177 8.208 285 HG11 VAL 33 1HG1 VAL 33 -4.800 1.849 5.262 286 HG12 VAL 33 2HG1 VAL 33 -5.571 2.699 6.601 287 HG13 VAL 33 3HG1 VAL 33 -5.989 1.018 6.269 288 HG21 VAL 33 1HG2 VAL 33 -4.354 -0.829 6.774 289 HG22 VAL 33 2HG2 VAL 33 -2.774 -0.458 7.469 290 HG23 VAL 33 3HG2 VAL 33 -3.110 -0.055 5.783 291 H GLN 34 H GLN 34 -3.490 4.333 5.817 292 HA GLN 34 HA GLN 34 -4.577 6.033 8.006 293 HB2 GLN 34 2HB GLN 34 -3.070 7.069 5.546 294 HB3 GLN 34 3HB GLN 34 -3.644 8.024 6.909 295 HG2 GLN 34 2HG GLN 34 -1.457 5.935 7.030 296 HG3 GLN 34 3HG GLN 34 -1.190 7.671 6.896 297 HE21 GLN 34 1HE2 GLN 34 -0.376 5.731 8.940 298 HE22 GLN 34 2HE2 GLN 34 -0.954 6.376 10.440 299 H LYS 35 H LYS 35 -6.775 6.008 7.591 300 HA LYS 35 HA LYS 35 -7.786 5.994 4.833 301 HB2 LYS 35 2HB LYS 35 -8.725 4.483 6.681 302 HB3 LYS 35 3HB LYS 35 -9.397 5.919 7.431 303 HG2 LYS 35 2HG LYS 35 -10.092 5.082 4.600 304 HG3 LYS 35 3HG LYS 35 -10.976 4.485 5.998 305 HD2 LYS 35 2HD LYS 35 -11.683 6.774 6.560 306 HD3 LYS 35 3HD LYS 35 -10.717 7.421 5.231 307 HE2 LYS 35 2HE LYS 35 -13.046 7.342 4.575 308 HE3 LYS 35 3HE LYS 35 -12.132 6.174 3.623 309 HZ1 LYS 35 1HZ LYS 35 -12.983 4.412 4.982 310 HZ2 LYS 35 2HZ LYS 35 -14.277 5.339 4.419 311 HZ3 LYS 35 3HZ LYS 35 -13.750 5.507 6.016 312 H GLN 36 H GLN 36 -7.862 7.973 3.903 313 HA GLN 36 HA GLN 36 -8.796 10.321 5.465 314 HB2 GLN 36 2HB GLN 36 -6.731 10.270 3.213 315 HB3 GLN 36 3HB GLN 36 -7.324 11.725 4.003 316 HG2 GLN 36 2HG GLN 36 -5.708 9.514 5.305 317 HG3 GLN 36 3HG GLN 36 -5.109 11.111 4.849 318 HE21 GLN 36 1HE2 GLN 36 -5.175 9.810 7.478 319 HE22 GLN 36 2HE2 GLN 36 -6.055 10.869 8.517 320 H GLY 37 H GLY 37 -10.952 10.025 4.829 321 HA2 GLY 37 2HA GLY 37 -12.769 10.680 3.582 322 HA3 GLY 37 3HA GLY 37 -11.686 11.261 2.329 323 H ASN 38 H ASN 38 -10.934 9.785 0.753 324 HA ASN 38 HA ASN 38 -11.800 6.985 0.796 325 HB2 ASN 38 2HB ASN 38 -12.509 8.958 -1.391 326 HB3 ASN 38 3HB ASN 38 -12.207 7.281 -1.823 327 HD21 ASN 38 1HD2 ASN 38 -14.346 9.442 -0.112 328 HD22 ASN 38 2HD2 ASN 38 -15.644 8.321 0.082 329 H THR 39 H THR 39 -9.343 9.144 0.562 330 HA THR 39 HA THR 39 -7.620 7.463 -1.116 331 HB THR 39 HB THR 39 -6.950 10.111 0.246 332 HG1 THR 39 HG1 THR 39 -8.557 9.648 -1.839 333 HG21 THR 39 1HG2 THR 39 -5.091 10.205 -1.384 334 HG22 THR 39 2HG2 THR 39 -5.570 8.641 -2.047 335 HG23 THR 39 3HG2 THR 39 -4.961 8.748 -0.392 336 H ILE 40 H ILE 40 -7.214 5.685 0.120 337 HA ILE 40 HA ILE 40 -6.335 5.922 2.899 338 HB ILE 40 HB ILE 40 -6.855 3.434 1.208 339 HG12 ILE 40 2HG1 ILE 40 -8.568 4.846 3.312 340 HG13 ILE 40 3HG1 ILE 40 -8.953 4.640 1.608 341 HG21 ILE 40 1HG2 ILE 40 -6.729 2.183 3.345 342 HG22 ILE 40 2HG2 ILE 40 -6.297 3.670 4.191 343 HG23 ILE 40 3HG2 ILE 40 -5.201 2.993 2.986 344 HD11 ILE 40 1HD1 ILE 40 -8.815 2.447 3.677 345 HD12 ILE 40 2HD1 ILE 40 -9.187 2.228 1.966 346 HD13 ILE 40 3HD1 ILE 40 -10.271 3.163 2.989 347 H ARG 41 H ARG 41 -4.271 6.531 3.064 348 HA ARG 41 HA ARG 41 -2.121 5.563 1.342 349 HB2 ARG 41 2HB ARG 41 -2.192 7.466 3.724 350 HB3 ARG 41 3HB ARG 41 -0.690 6.970 2.954 351 HG2 ARG 41 2HG ARG 41 -1.472 7.979 0.823 352 HG3 ARG 41 3HG ARG 41 -2.937 8.534 1.638 353 HD2 ARG 41 2HD ARG 41 -1.720 10.047 3.021 354 HD3 ARG 41 3HD ARG 41 -0.173 9.283 2.647 355 HE ARG 41 HE ARG 41 -1.178 10.279 0.246 356 HH11 ARG 41 1HH1 ARG 41 -0.110 11.619 3.326 357 HH12 ARG 41 2HH1 ARG 41 0.409 13.119 2.629 358 HH21 ARG 41 1HH2 ARG 41 -0.452 12.238 -0.645 359 HH22 ARG 41 2HH2 ARG 41 0.217 13.470 0.384 360 H VAL 42 H VAL 42 -1.638 3.439 1.771 361 HA VAL 42 HA VAL 42 -1.346 2.521 4.561 362 HB VAL 42 HB VAL 42 -1.131 0.904 1.973 363 HG11 VAL 42 1HG1 VAL 42 -1.352 -0.049 4.858 364 HG12 VAL 42 2HG1 VAL 42 0.097 -0.139 3.855 365 HG13 VAL 42 3HG1 VAL 42 -1.329 -1.090 3.428 366 HG21 VAL 42 1HG2 VAL 42 -3.405 1.778 2.255 367 HG22 VAL 42 2HG2 VAL 42 -3.461 1.151 3.906 368 HG23 VAL 42 3HG2 VAL 42 -3.380 0.034 2.540 369 H GLU 43 H GLU 43 0.626 2.822 5.447 370 HA GLU 43 HA GLU 43 3.084 2.885 3.895 371 HB2 GLU 43 2HB GLU 43 2.597 2.899 6.912 372 HB3 GLU 43 3HB GLU 43 4.180 3.041 6.164 373 HG2 GLU 43 2HG GLU 43 3.567 5.253 6.749 374 HG3 GLU 43 3HG GLU 43 3.336 5.142 5.009 375 H LEU 44 H LEU 44 3.949 0.971 3.195 376 HA LEU 44 HA LEU 44 3.766 -1.424 4.930 377 HB2 LEU 44 2HB LEU 44 4.268 -1.501 1.933 378 HB3 LEU 44 3HB LEU 44 3.915 -2.841 3.008 379 HG LEU 44 HG LEU 44 1.584 -1.573 3.336 380 HD11 LEU 44 1HD1 LEU 44 2.199 0.423 2.062 381 HD12 LEU 44 2HD1 LEU 44 0.816 -0.398 1.345 382 HD13 LEU 44 3HD1 LEU 44 2.417 -0.558 0.610 383 HD21 LEU 44 1HD2 LEU 44 2.186 -3.145 0.815 384 HD22 LEU 44 2HD2 LEU 44 0.589 -2.895 1.533 385 HD23 LEU 44 3HD2 LEU 44 1.809 -3.828 2.398 386 H GLU 45 H GLU 45 5.641 -2.784 4.886 387 HA GLU 45 HA GLU 45 8.158 -1.242 4.752 388 HB2 GLU 45 2HB GLU 45 7.267 -1.558 7.022 389 HB3 GLU 45 3HB GLU 45 7.159 -3.295 6.775 390 HG2 GLU 45 2HG GLU 45 9.587 -3.490 6.743 391 HG3 GLU 45 3HG GLU 45 9.760 -1.731 6.805 392 H LEU 46 H LEU 46 9.188 -2.006 3.024 393 HA LEU 46 HA LEU 46 8.926 -4.812 2.169 394 HB2 LEU 46 2HB LEU 46 8.261 -3.074 0.581 395 HB3 LEU 46 3HB LEU 46 9.809 -2.273 0.729 396 HG LEU 46 HG LEU 46 9.753 -5.105 -0.348 397 HD11 LEU 46 1HD1 LEU 46 9.097 -2.671 -2.037 398 HD12 LEU 46 2HD1 LEU 46 7.981 -3.975 -1.621 399 HD13 LEU 46 3HD1 LEU 46 9.384 -4.309 -2.637 400 HD21 LEU 46 1HD2 LEU 46 11.677 -4.315 -1.699 401 HD22 LEU 46 2HD2 LEU 46 11.955 -4.061 0.022 402 HD23 LEU 46 3HD2 LEU 46 11.504 -2.698 -1.005 403 H ARG 47 H ARG 47 10.516 -6.092 2.911 404 HA ARG 47 HA ARG 47 13.171 -4.989 3.588 405 HB2 ARG 47 2HB ARG 47 11.742 -7.530 4.474 406 HB3 ARG 47 3HB ARG 47 13.419 -7.170 4.885 407 HG2 ARG 47 2HG ARG 47 12.677 -5.114 6.059 408 HG3 ARG 47 3HG ARG 47 10.999 -5.512 5.680 409 HD2 ARG 47 2HD ARG 47 11.074 -7.473 7.071 410 HD3 ARG 47 3HD ARG 47 12.824 -7.347 7.259 411 HE ARG 47 HE ARG 47 12.456 -5.332 8.591 412 HH11 ARG 47 1HH1 ARG 47 9.660 -7.423 8.183 413 HH12 ARG 47 2HH1 ARG 47 8.880 -6.847 9.617 414 HH21 ARG 47 1HH2 ARG 47 11.453 -4.625 10.482 415 HH22 ARG 47 2HH2 ARG 47 9.902 -5.256 10.923 416 H THR 48 H THR 48 14.850 -5.446 2.390 417 HA THR 48 HA THR 48 15.125 -7.881 0.798 418 HB THR 48 HB THR 48 15.305 -5.090 -0.448 419 HG1 THR 48 HG1 THR 48 13.309 -6.982 -0.315 420 HG21 THR 48 1HG2 THR 48 15.732 -7.811 -1.748 421 HG22 THR 48 2HG2 THR 48 16.990 -6.609 -1.437 422 HG23 THR 48 3HG2 THR 48 15.699 -6.270 -2.595 423 H ASN 49 H ASN 49 17.161 -8.616 1.072 424 HA ASN 49 HA ASN 49 19.398 -8.827 1.398 425 HB2 ASN 49 2HB ASN 49 19.511 -5.913 0.510 426 HB3 ASN 49 3HB ASN 49 20.898 -6.992 0.599 427 HD21 ASN 49 1HD2 ASN 49 19.747 -5.523 -1.686 428 HD22 ASN 49 2HD2 ASN 49 19.420 -6.714 -2.896 429 H GLY 50 H GLY 50 17.618 -7.789 3.614 430 HA2 GLY 50 2HA GLY 50 18.099 -7.531 5.901 431 HA3 GLY 50 3HA GLY 50 19.721 -6.989 5.508 432 H LYS 51 H LYS 51 18.457 -5.117 3.437 433 HA LYS 51 HA LYS 51 17.970 -2.790 5.070 434 HB2 LYS 51 2HB LYS 51 17.808 -3.328 2.067 435 HB3 LYS 51 3HB LYS 51 17.474 -1.749 2.770 436 HG2 LYS 51 2HG LYS 51 19.751 -1.529 3.546 437 HG3 LYS 51 3HG LYS 51 20.117 -3.198 3.099 438 HD2 LYS 51 2HD LYS 51 21.020 -1.516 1.478 439 HD3 LYS 51 3HD LYS 51 19.926 -2.685 0.740 440 HE2 LYS 51 2HE LYS 51 19.498 -0.437 -0.136 441 HE3 LYS 51 3HE LYS 51 18.103 -0.993 0.787 442 HZ1 LYS 51 1HZ LYS 51 18.613 1.294 1.284 443 HZ2 LYS 51 2HZ LYS 51 20.190 0.894 1.726 444 HZ3 LYS 51 3HZ LYS 51 18.894 0.347 2.657 445 H LYS 52 H LYS 52 15.982 -1.455 4.773 446 HA LYS 52 HA LYS 52 13.576 -2.795 3.786 447 HB2 LYS 52 2HB LYS 52 12.233 -2.313 5.744 448 HB3 LYS 52 3HB LYS 52 13.629 -3.253 6.255 449 HG2 LYS 52 2HG LYS 52 14.694 -1.293 7.204 450 HG3 LYS 52 3HG LYS 52 13.458 -0.233 6.520 451 HD2 LYS 52 2HD LYS 52 11.752 -1.458 7.958 452 HD3 LYS 52 3HD LYS 52 13.106 -2.270 8.753 453 HE2 LYS 52 2HE LYS 52 13.968 -0.136 9.544 454 HE3 LYS 52 3HE LYS 52 12.744 0.744 8.633 455 HZ1 LYS 52 1HZ LYS 52 12.032 0.659 10.862 456 HZ2 LYS 52 2HZ LYS 52 12.328 -0.997 10.988 457 HZ3 LYS 52 3HZ LYS 52 11.062 -0.445 10.019 458 H GLU 53 H GLU 53 12.120 -1.409 2.930 459 HA GLU 53 HA GLU 53 12.608 1.505 2.991 460 HB2 GLU 53 2HB GLU 53 11.822 -0.202 0.576 461 HB3 GLU 53 3HB GLU 53 11.908 1.554 0.575 462 HG2 GLU 53 2HG GLU 53 14.258 -0.326 0.988 463 HG3 GLU 53 3HG GLU 53 13.868 0.497 -0.519 464 H ASN 54 H ASN 54 10.849 2.456 3.873 465 HA ASN 54 HA ASN 54 8.269 1.113 3.977 466 HB2 ASN 54 2HB ASN 54 9.148 2.525 5.909 467 HB3 ASN 54 3HB ASN 54 8.943 3.935 4.879 468 HD21 ASN 54 1HD2 ASN 54 6.836 1.095 5.351 469 HD22 ASN 54 2HD2 ASN 54 5.465 1.996 5.881 470 H TYR 55 H TYR 55 6.905 1.285 2.321 471 HA TYR 55 HA TYR 55 6.925 3.597 0.481 472 HB2 TYR 55 2HB TYR 55 5.841 0.765 0.135 473 HB3 TYR 55 3HB TYR 55 5.629 2.053 -1.044 474 HD1 TYR 55 HD1 TYR 55 7.495 2.772 -2.469 475 HD2 TYR 55 HD2 TYR 55 8.074 -0.300 0.440 476 HE1 TYR 55 HE1 TYR 55 9.600 2.137 -3.561 477 HE2 TYR 55 HE2 TYR 55 10.185 -0.926 -0.652 478 HH TYR 55 HH TYR 55 11.274 -0.740 -2.840 479 H THR 56 H THR 56 5.422 5.030 1.057 480 HA THR 56 HA THR 56 2.834 4.349 2.167 481 HB THR 56 HB THR 56 3.914 7.000 1.100 482 HG1 THR 56 HG1 THR 56 4.303 5.632 3.452 483 HG21 THR 56 1HG2 THR 56 1.486 6.471 2.872 484 HG22 THR 56 2HG2 THR 56 1.431 6.989 1.183 485 HG23 THR 56 3HG2 THR 56 2.101 8.060 2.417 486 H VAL 57 H VAL 57 1.692 3.182 0.702 487 HA VAL 57 HA VAL 57 1.563 3.926 -2.122 488 HB VAL 57 HB VAL 57 0.293 1.556 -0.659 489 HG11 VAL 57 1HG1 VAL 57 -0.935 2.120 -2.722 490 HG12 VAL 57 2HG1 VAL 57 -0.057 0.602 -2.928 491 HG13 VAL 57 3HG1 VAL 57 0.571 2.088 -3.643 492 HG21 VAL 57 1HG2 VAL 57 2.813 1.636 -2.367 493 HG22 VAL 57 2HG2 VAL 57 2.097 0.187 -1.655 494 HG23 VAL 57 3HG2 VAL 57 2.766 1.444 -0.611 495 H GLU 58 H GLU 58 0.297 5.591 -2.412 496 HA GLU 58 HA GLU 58 -2.038 6.260 -0.847 497 HB2 GLU 58 2HB GLU 58 -0.990 7.523 -3.426 498 HB3 GLU 58 3HB GLU 58 -2.129 8.250 -2.290 499 HG2 GLU 58 2HG GLU 58 -0.409 8.435 -0.588 500 HG3 GLU 58 3HG GLU 58 0.732 7.527 -1.583 501 H VAL 59 H VAL 59 -3.672 4.862 -1.191 502 HA VAL 59 HA VAL 59 -4.541 4.112 -3.920 503 HB VAL 59 HB VAL 59 -5.353 2.940 -1.216 504 HG11 VAL 59 1HG1 VAL 59 -7.093 2.608 -2.931 505 HG12 VAL 59 2HG1 VAL 59 -6.331 1.073 -2.507 506 HG13 VAL 59 3HG1 VAL 59 -5.898 1.887 -4.013 507 HG21 VAL 59 1HG2 VAL 59 -2.965 2.504 -1.660 508 HG22 VAL 59 2HG2 VAL 59 -3.373 1.828 -3.240 509 HG23 VAL 59 3HG2 VAL 59 -3.903 1.009 -1.769 510 H GLU 60 H GLU 60 -6.695 4.636 -4.579 511 HA GLU 60 HA GLU 60 -8.382 6.229 -2.774 512 HB2 GLU 60 2HB GLU 60 -7.002 7.739 -4.229 513 HB3 GLU 60 3HB GLU 60 -7.715 6.983 -5.651 514 HG2 GLU 60 2HG GLU 60 -9.976 7.746 -4.836 515 HG3 GLU 60 3HG GLU 60 -9.159 8.626 -3.541 516 H ARG 61 H ARG 61 -10.589 6.068 -3.188 517 HA ARG 61 HA ARG 61 -11.562 3.708 -4.525 518 HB2 ARG 61 2HB ARG 61 -12.551 4.601 -2.400 519 HB3 ARG 61 3HB ARG 61 -13.096 6.030 -3.265 520 HG2 ARG 61 2HG ARG 61 -15.044 4.751 -3.209 521 HG3 ARG 61 3HG ARG 61 -14.388 4.312 -4.786 522 HD2 ARG 61 2HD ARG 61 -15.048 2.263 -3.817 523 HD3 ARG 61 3HD ARG 61 -13.300 2.301 -3.578 524 HE ARG 61 HE ARG 61 -14.170 3.369 -1.290 525 HH11 ARG 61 1HH1 ARG 61 -15.221 0.424 -2.928 526 HH12 ARG 61 2HH1 ARG 61 -15.665 -0.361 -1.448 527 HH21 ARG 61 1HH2 ARG 61 -14.703 2.286 0.614 528 HH22 ARG 61 2HH2 ARG 61 -15.372 0.688 0.542 529 H GLN 62 H GLN 62 -11.805 3.693 -6.709 530 HA GLN 62 HA GLN 62 -13.238 5.946 -8.032 531 HB2 GLN 62 2HB GLN 62 -11.248 3.954 -9.224 532 HB3 GLN 62 3HB GLN 62 -12.282 4.984 -10.206 533 HG2 GLN 62 2HG GLN 62 -11.228 6.980 -9.165 534 HG3 GLN 62 3HG GLN 62 -10.135 5.915 -8.281 535 HE21 GLN 62 1HE2 GLN 62 -9.797 4.056 -10.546 536 HE22 GLN 62 2HE2 GLN 62 -8.795 4.880 -11.680 537 H GLY 63 H GLY 63 -15.221 5.437 -8.768 538 HA2 GLY 63 2HA GLY 63 -17.174 4.303 -9.097 539 HA3 GLY 63 3HA GLY 63 -16.212 2.894 -9.531 540 H ASN 64 H ASN 64 -16.131 1.230 -8.122 541 HA ASN 64 HA ASN 64 -16.869 1.614 -5.267 542 HB2 ASN 64 2HB ASN 64 -17.580 -0.817 -6.981 543 HB3 ASN 64 3HB ASN 64 -17.960 -0.602 -5.277 544 HD21 ASN 64 1HD2 ASN 64 -18.759 0.386 -8.541 545 HD22 ASN 64 2HD2 ASN 64 -20.270 1.128 -8.147 546 H THR 65 H THR 65 -14.454 0.824 -7.410 547 HA THR 65 HA THR 65 -13.180 -1.260 -5.736 548 HB THR 65 HB THR 65 -11.652 -1.601 -7.693 549 HG1 THR 65 HG1 THR 65 -13.183 0.543 -8.739 550 HG21 THR 65 1HG2 THR 65 -13.696 -2.984 -7.532 551 HG22 THR 65 2HG2 THR 65 -13.289 -2.649 -9.216 552 HG23 THR 65 3HG2 THR 65 -14.597 -1.760 -8.435 553 H TRP 66 H TRP 66 -10.670 -1.067 -5.850 554 HA TRP 66 HA TRP 66 -9.843 1.650 -5.000 555 HB2 TRP 66 2HB TRP 66 -8.868 -1.107 -4.106 556 HB3 TRP 66 3HB TRP 66 -8.131 0.415 -3.606 557 HD1 TRP 66 HD1 TRP 66 -10.941 -1.913 -2.666 558 HE1 TRP 66 HE1 TRP 66 -12.306 -0.884 -0.744 559 HE3 TRP 66 HE3 TRP 66 -9.011 2.833 -2.721 560 HZ2 TRP 66 HZ2 TRP 66 -12.551 1.604 0.545 561 HZ3 TRP 66 HZ3 TRP 66 -9.883 4.473 -1.115 562 HH2 TRP 66 HH2 TRP 66 -11.625 3.871 0.485 563 H THR 67 H THR 67 -8.149 2.575 -6.001 564 HA THR 67 HA THR 67 -6.375 1.012 -7.797 565 HB THR 67 HB THR 67 -8.037 2.397 -9.125 566 HG1 THR 67 HG1 THR 67 -5.434 3.502 -9.425 567 HG21 THR 67 1HG2 THR 67 -7.777 4.859 -9.184 568 HG22 THR 67 2HG2 THR 67 -6.628 4.780 -7.853 569 HG23 THR 67 3HG2 THR 67 -8.309 4.319 -7.586 570 H VAL 68 H VAL 68 -4.194 1.821 -7.867 571 HA VAL 68 HA VAL 68 -3.409 3.483 -5.586 572 HB VAL 68 HB VAL 68 -1.743 1.822 -7.519 573 HG11 VAL 68 1HG1 VAL 68 -0.802 3.422 -5.099 574 HG12 VAL 68 2HG1 VAL 68 -0.411 3.771 -6.784 575 HG13 VAL 68 3HG1 VAL 68 0.191 2.296 -6.026 576 HG21 VAL 68 1HG2 VAL 68 -2.553 1.417 -4.613 577 HG22 VAL 68 2HG2 VAL 68 -1.357 0.435 -5.445 578 HG23 VAL 68 3HG2 VAL 68 -3.030 0.428 -5.998 579 H LYS 69 H LYS 69 -3.244 5.548 -5.833 580 HA LYS 69 HA LYS 69 -3.046 6.967 -8.284 581 HB2 LYS 69 2HB LYS 69 -2.665 7.897 -5.402 582 HB3 LYS 69 3HB LYS 69 -2.710 8.972 -6.796 583 HG2 LYS 69 2HG LYS 69 -4.981 7.234 -5.785 584 HG3 LYS 69 3HG LYS 69 -4.870 8.994 -5.690 585 HD2 LYS 69 2HD LYS 69 -5.122 7.334 -8.233 586 HD3 LYS 69 3HD LYS 69 -6.382 8.331 -7.508 587 HE2 LYS 69 2HE LYS 69 -5.139 10.361 -8.010 588 HE3 LYS 69 3HE LYS 69 -3.750 9.426 -8.564 589 HZ1 LYS 69 1HZ LYS 69 -6.423 9.440 -9.833 590 HZ2 LYS 69 2HZ LYS 69 -5.074 8.580 -10.373 591 HZ3 LYS 69 3HZ LYS 69 -5.064 10.270 -10.392 592 H ARG 70 H ARG 70 -0.740 6.582 -5.569 593 HA ARG 70 HA ARG 70 1.495 6.225 -7.359 594 HB2 ARG 70 2HB ARG 70 1.311 8.717 -7.380 595 HB3 ARG 70 3HB ARG 70 1.415 8.747 -5.625 596 HG2 ARG 70 2HG ARG 70 3.560 9.375 -6.649 597 HG3 ARG 70 3HG ARG 70 3.720 7.877 -5.728 598 HD2 ARG 70 2HD ARG 70 3.533 6.587 -7.859 599 HD3 ARG 70 3HD ARG 70 3.473 8.111 -8.752 600 HE ARG 70 HE ARG 70 5.774 8.387 -7.407 601 HH11 ARG 70 1HH1 ARG 70 4.575 5.647 -9.265 602 HH12 ARG 70 2HH1 ARG 70 6.162 5.113 -9.718 603 HH21 ARG 70 1HH2 ARG 70 7.839 7.700 -8.062 604 HH22 ARG 70 2HH2 ARG 70 8.005 6.275 -9.037 605 H ILE 71 H ILE 71 3.032 5.045 -6.369 606 HA ILE 71 HA ILE 71 2.970 4.552 -3.485 607 HB ILE 71 HB ILE 71 4.820 3.446 -5.656 608 HG12 ILE 71 2HG1 ILE 71 2.368 2.190 -4.341 609 HG13 ILE 71 3HG1 ILE 71 2.457 2.765 -6.002 610 HG21 ILE 71 1HG2 ILE 71 4.442 2.544 -2.777 611 HG22 ILE 71 2HG2 ILE 71 5.865 3.363 -3.424 612 HG23 ILE 71 3HG2 ILE 71 5.455 1.738 -3.977 613 HD11 ILE 71 1HD1 ILE 71 3.942 0.436 -4.811 614 HD12 ILE 71 2HD1 ILE 71 4.172 1.046 -6.452 615 HD13 ILE 71 3HD1 ILE 71 2.613 0.398 -5.962 616 H THR 72 H THR 72 3.770 6.301 -2.434 617 HA THR 72 HA THR 72 6.263 7.601 -3.268 618 HB THR 72 HB THR 72 4.281 8.305 -1.054 619 HG1 THR 72 HG1 THR 72 3.312 8.926 -2.885 620 HG21 THR 72 1HG2 THR 72 6.724 9.842 -2.034 621 HG22 THR 72 2HG2 THR 72 6.547 9.090 -0.447 622 HG23 THR 72 3HG2 THR 72 5.524 10.455 -0.894 623 H ARG 73 H ARG 73 7.960 6.341 -2.696 624 HA ARG 73 HA ARG 73 8.247 4.902 -0.241 625 HB2 ARG 73 2HB ARG 73 9.490 4.385 -2.356 626 HB3 ARG 73 3HB ARG 73 10.354 5.910 -2.208 627 HG2 ARG 73 2HG ARG 73 11.358 5.084 -0.067 628 HG3 ARG 73 3HG ARG 73 10.542 3.536 -0.322 629 HD2 ARG 73 2HD ARG 73 12.871 3.410 -1.060 630 HD3 ARG 73 3HD ARG 73 11.778 3.231 -2.431 631 HE ARG 73 HE ARG 73 12.223 5.706 -2.809 632 HH11 ARG 73 1HH1 ARG 73 14.670 3.573 -1.453 633 HH12 ARG 73 2HH1 ARG 73 15.992 4.534 -2.038 634 HH21 ARG 73 1HH2 ARG 73 13.953 6.960 -3.521 635 HH22 ARG 73 2HH2 ARG 73 15.583 6.451 -3.208 636 H THR 74 H THR 74 9.477 5.537 1.612 637 HA THR 74 HA THR 74 9.524 8.294 2.331 638 HB THR 74 HB THR 74 9.250 6.506 4.038 639 HG1 THR 74 HG1 THR 74 9.959 8.287 5.001 640 HG21 THR 74 1HG2 THR 74 10.793 4.782 3.144 641 HG22 THR 74 2HG2 THR 74 11.180 5.162 4.822 642 HG23 THR 74 3HG2 THR 74 12.178 5.810 3.519 643 H VAL 75 H VAL 75 11.423 9.563 2.777 644 HA VAL 75 HA VAL 75 13.729 8.957 1.031 645 HB VAL 75 HB VAL 75 12.546 11.015 0.429 646 HG11 VAL 75 1HG1 VAL 75 11.508 11.611 2.568 647 HG12 VAL 75 2HG1 VAL 75 12.402 12.984 1.915 648 HG13 VAL 75 3HG1 VAL 75 13.084 12.041 3.240 649 HG21 VAL 75 1HG2 VAL 75 15.243 11.666 1.684 650 HG22 VAL 75 2HG2 VAL 75 14.427 12.619 0.442 651 HG23 VAL 75 3HG2 VAL 75 14.983 10.985 0.075 652 H GLY 76 H GLY 76 15.805 9.095 1.847 653 HA2 GLY 76 2HA GLY 76 16.308 9.862 4.637 654 HA3 GLY 76 3HA GLY 76 16.712 8.208 4.166 655 H SER 77 H SER 77 18.364 10.703 4.889 656 HA SER 77 HA SER 77 19.719 11.556 2.522 657 HB2 SER 77 2HB SER 77 21.279 12.695 4.129 658 HB3 SER 77 3HB SER 77 19.588 13.044 4.482 659 HG SER 77 HG SER 77 21.447 11.509 5.894 660 H LEU 78 H LEU 78 21.080 10.348 1.420 661 HA LEU 78 HA LEU 78 22.803 8.317 2.721 662 HB2 LEU 78 2HB LEU 78 21.069 7.883 0.669 663 HB3 LEU 78 3HB LEU 78 22.435 8.423 -0.282 664 HG LEU 78 HG LEU 78 22.495 6.034 1.627 665 HD11 LEU 78 1HD1 LEU 78 21.010 5.577 -0.252 666 HD12 LEU 78 2HD1 LEU 78 22.482 4.615 -0.377 667 HD13 LEU 78 3HD1 LEU 78 22.272 6.043 -1.397 668 HD21 LEU 78 1HD2 LEU 78 24.728 7.008 1.356 669 HD22 LEU 78 2HD2 LEU 78 24.573 6.946 -0.399 670 HD23 LEU 78 3HD2 LEU 78 24.642 5.447 0.535 671 H GLU 79 H GLU 79 23.513 10.796 3.210 672 HA GLU 79 HA GLU 79 25.125 12.154 1.317 673 HB2 GLU 79 2HB GLU 79 25.800 13.600 3.111 674 HB3 GLU 79 3HB GLU 79 24.135 13.166 3.456 675 HG2 GLU 79 2HG GLU 79 26.609 12.040 4.818 676 HG3 GLU 79 3HG GLU 79 25.489 13.216 5.498 677 H HIS 80 H HIS 80 27.426 12.323 1.249 678 HA HIS 80 HA HIS 80 28.919 10.028 2.391 679 HB2 HIS 80 2HB HIS 80 29.337 11.337 -0.344 680 HB3 HIS 80 3HB HIS 80 30.358 10.072 0.348 681 HD1 HIS 80 HD1 HIS 80 27.454 10.523 -1.755 682 HD2 HIS 80 HD2 HIS 80 28.791 7.568 0.842 683 HE1 HIS 80 HE1 HIS 80 26.139 8.466 -2.331 684 HE2 HIS 80 HE2 HIS 80 27.061 6.667 -0.836 685 H HIS 81 H HIS 81 30.477 10.624 3.714 686 HA HIS 81 HA HIS 81 31.377 13.420 3.814 687 HB2 HIS 81 2HB HIS 81 31.984 11.087 5.686 688 HB3 HIS 81 3HB HIS 81 32.447 12.766 5.949 689 HD1 HIS 81 HD1 HIS 81 29.544 10.427 6.182 690 HD2 HIS 81 HD2 HIS 81 30.331 14.463 6.775 691 HE1 HIS 81 HE1 HIS 81 27.564 11.333 7.434 692 HE2 HIS 81 HE2 HIS 81 28.104 13.750 7.837 693 H HIS 82 H HIS 82 33.146 13.955 2.678 694 HA HIS 82 HA HIS 82 35.070 11.863 1.866 695 HB2 HIS 82 2HB HIS 82 35.756 13.323 0.045 696 HB3 HIS 82 3HB HIS 82 34.015 13.143 0.010 697 HD1 HIS 82 HD1 HIS 82 36.368 15.579 -0.688 698 HD2 HIS 82 HD2 HIS 82 32.869 15.640 1.548 699 HE1 HIS 82 HE1 HIS 82 35.678 17.987 -0.572 700 HE2 HIS 82 HE2 HIS 82 33.631 18.010 0.883 701 H HIS 83 H HIS 83 36.997 11.792 2.760 702 HA HIS 83 HA HIS 83 37.840 13.829 4.683 703 HB2 HIS 83 2HB HIS 83 39.471 12.207 5.461 704 HB3 HIS 83 3HB HIS 83 37.925 11.392 5.276 705 HD1 HIS 83 HD1 HIS 83 41.446 11.280 4.190 706 HD2 HIS 83 HD2 HIS 83 37.849 9.562 3.011 707 HE1 HIS 83 HE1 HIS 83 42.063 9.353 2.706 708 HE2 HIS 83 HE2 HIS 83 39.873 8.265 2.103 709 H HIS 84 H HIS 84 38.181 13.556 1.442 710 HA HIS 84 HA HIS 84 40.893 14.728 1.304 711 HB2 HIS 84 2HB HIS 84 40.440 12.858 -0.254 712 HB3 HIS 84 3HB HIS 84 39.027 13.690 -0.887 713 HD1 HIS 84 HD1 HIS 84 42.784 13.734 -0.987 714 HD2 HIS 84 HD2 HIS 84 39.593 15.690 -2.807 715 HE1 HIS 84 HE1 HIS 84 43.768 14.992 -2.920 716 HE2 HIS 84 HE2 HIS 84 41.812 16.078 -4.062 717 H HIS 85 H HIS 85 40.863 16.915 1.516 718 HA HIS 85 HA HIS 85 38.671 18.627 0.975 719 HB2 HIS 85 2HB HIS 85 40.506 19.231 2.543 720 HB3 HIS 85 3HB HIS 85 41.647 19.294 1.202 721 HD1 HIS 85 HD1 HIS 85 41.207 21.261 -0.588 722 HD2 HIS 85 HD2 HIS 85 39.076 21.574 2.965 723 HE1 HIS 85 HE1 HIS 85 40.337 23.619 -0.522 724 HE2 HIS 85 HE2 HIS 85 38.896 23.710 1.534 Start of MODEL 6 1 H1 MET 1 1H MET 1 -19.482 -7.492 3.276 2 H2 MET 1 2H MET 1 -18.643 -7.594 1.821 3 H3 MET 1 3H MET 1 -20.068 -8.471 2.032 4 HA MET 1 HA MET 1 -20.448 -6.545 0.645 5 HB2 MET 1 2HB MET 1 -21.707 -6.359 3.423 6 HB3 MET 1 3HB MET 1 -22.312 -5.507 2.005 7 HG2 MET 1 2HG MET 1 -23.670 -7.457 2.381 8 HG3 MET 1 3HG MET 1 -22.733 -7.704 0.907 9 HE1 MET 1 1HE MET 1 -23.075 -11.317 2.494 10 HE2 MET 1 2HE MET 1 -23.407 -10.327 1.072 11 HE3 MET 1 3HE MET 1 -24.272 -10.026 2.583 12 HA PRO 2 HA PRO 2 -18.098 -2.772 1.010 13 HB2 PRO 2 2HB PRO 2 -20.275 -0.879 0.878 14 HB3 PRO 2 3HB PRO 2 -19.277 -1.469 -0.466 15 HG2 PRO 2 2HG PRO 2 -21.948 -2.434 0.479 16 HG3 PRO 2 3HG PRO 2 -21.313 -2.318 -1.179 17 HD2 PRO 2 2HD PRO 2 -21.459 -4.695 -0.015 18 HD3 PRO 2 3HD PRO 2 -20.000 -4.286 -0.953 19 H SER 3 H SER 3 -17.194 -2.466 2.885 20 HA SER 3 HA SER 3 -18.374 -0.882 5.006 21 HB2 SER 3 2HB SER 3 -19.062 -3.095 5.821 22 HB3 SER 3 3HB SER 3 -17.476 -3.783 5.473 23 HG SER 3 HG SER 3 -17.118 -3.313 7.489 24 H GLU 4 H GLU 4 -16.706 0.308 6.016 25 HA GLU 4 HA GLU 4 -14.384 0.625 4.460 26 HB2 GLU 4 2HB GLU 4 -15.525 2.405 5.880 27 HB3 GLU 4 3HB GLU 4 -14.713 1.698 7.272 28 HG2 GLU 4 2HG GLU 4 -12.505 2.099 5.996 29 HG3 GLU 4 3HG GLU 4 -13.457 3.085 4.885 30 H GLU 5 H GLU 5 -14.916 -1.225 7.386 31 HA GLU 5 HA GLU 5 -12.248 -1.861 8.076 32 HB2 GLU 5 2HB GLU 5 -14.843 -3.417 8.461 33 HB3 GLU 5 3HB GLU 5 -13.323 -3.816 9.264 34 HG2 GLU 5 2HG GLU 5 -13.356 -1.754 10.517 35 HG3 GLU 5 3HG GLU 5 -14.708 -1.134 9.574 36 H GLU 6 H GLU 6 -14.627 -3.487 5.998 37 HA GLU 6 HA GLU 6 -13.033 -5.676 5.129 38 HB2 GLU 6 2HB GLU 6 -15.533 -5.616 5.079 39 HB3 GLU 6 3HB GLU 6 -15.478 -4.405 3.804 40 HG2 GLU 6 2HG GLU 6 -14.547 -5.987 2.239 41 HG3 GLU 6 3HG GLU 6 -14.276 -7.173 3.515 42 H GLU 7 H GLU 7 -13.320 -2.370 4.121 43 HA GLU 7 HA GLU 7 -12.220 -2.587 1.545 44 HB2 GLU 7 2HB GLU 7 -12.137 -0.201 3.419 45 HB3 GLU 7 3HB GLU 7 -11.774 -0.167 1.698 46 HG2 GLU 7 2HG GLU 7 -14.443 -0.558 3.054 47 HG3 GLU 7 3HG GLU 7 -13.969 0.678 1.895 48 H LYS 8 H LYS 8 -10.620 -2.143 4.766 49 HA LYS 8 HA LYS 8 -7.993 -1.761 3.787 50 HB2 LYS 8 2HB LYS 8 -8.956 -2.952 6.407 51 HB3 LYS 8 3HB LYS 8 -7.246 -2.863 6.025 52 HG2 LYS 8 2HG LYS 8 -7.552 -0.971 7.325 53 HG3 LYS 8 3HG LYS 8 -7.653 -0.314 5.688 54 HD2 LYS 8 2HD LYS 8 -10.114 -0.317 5.831 55 HD3 LYS 8 3HD LYS 8 -10.034 -1.032 7.442 56 HE2 LYS 8 2HE LYS 8 -8.819 1.026 8.223 57 HE3 LYS 8 3HE LYS 8 -9.085 1.736 6.626 58 HZ1 LYS 8 1HZ LYS 8 -10.793 2.495 8.089 59 HZ2 LYS 8 2HZ LYS 8 -11.153 0.924 8.599 60 HZ3 LYS 8 3HZ LYS 8 -11.505 1.394 7.018 61 H ARG 9 H ARG 9 -9.855 -4.725 4.338 62 HA ARG 9 HA ARG 9 -7.862 -6.670 3.908 63 HB2 ARG 9 2HB ARG 9 -10.813 -6.857 3.135 64 HB3 ARG 9 3HB ARG 9 -9.710 -8.221 3.350 65 HG2 ARG 9 2HG ARG 9 -9.480 -7.636 5.750 66 HG3 ARG 9 3HG ARG 9 -10.610 -6.294 5.524 67 HD2 ARG 9 2HD ARG 9 -12.394 -7.888 4.909 68 HD3 ARG 9 3HD ARG 9 -11.255 -9.234 5.065 69 HE ARG 9 HE ARG 9 -11.582 -7.589 7.426 70 HH11 ARG 9 1HH1 ARG 9 -12.663 -10.510 5.767 71 HH12 ARG 9 2HH1 ARG 9 -13.299 -11.229 7.213 72 HH21 ARG 9 1HH2 ARG 9 -12.437 -8.529 9.291 73 HH22 ARG 9 2HH2 ARG 9 -13.168 -10.104 9.215 74 H GLN 10 H GLN 10 -9.785 -4.742 1.677 75 HA GLN 10 HA GLN 10 -8.732 -5.976 -0.730 76 HB2 GLN 10 2HB GLN 10 -10.257 -3.356 -0.409 77 HB3 GLN 10 3HB GLN 10 -9.973 -4.219 -1.921 78 HG2 GLN 10 2HG GLN 10 -11.291 -6.151 -0.945 79 HG3 GLN 10 3HG GLN 10 -11.714 -5.093 0.404 80 HE21 GLN 10 1HE2 GLN 10 -13.121 -3.329 0.013 81 HE22 GLN 10 2HE2 GLN 10 -14.103 -3.255 -1.403 82 H VAL 11 H VAL 11 -8.034 -2.955 1.083 83 HA VAL 11 HA VAL 11 -6.626 -1.713 -1.079 84 HB VAL 11 HB VAL 11 -6.834 -0.864 1.851 85 HG11 VAL 11 1HG1 VAL 11 -6.163 1.393 1.070 86 HG12 VAL 11 2HG1 VAL 11 -5.917 0.753 -0.557 87 HG13 VAL 11 3HG1 VAL 11 -4.890 0.206 0.766 88 HG21 VAL 11 1HG2 VAL 11 -9.014 -0.950 0.695 89 HG22 VAL 11 2HG2 VAL 11 -8.386 0.098 -0.572 90 HG23 VAL 11 3HG2 VAL 11 -8.552 0.706 1.074 91 H LYS 12 H LYS 12 -5.591 -3.151 2.043 92 HA LYS 12 HA LYS 12 -2.810 -2.582 1.677 93 HB2 LYS 12 2HB LYS 12 -3.906 -4.814 3.430 94 HB3 LYS 12 3HB LYS 12 -2.385 -3.943 3.610 95 HG2 LYS 12 2HG LYS 12 -3.669 -1.889 4.195 96 HG3 LYS 12 3HG LYS 12 -5.171 -2.816 4.080 97 HD2 LYS 12 2HD LYS 12 -2.922 -3.147 6.090 98 HD3 LYS 12 3HD LYS 12 -4.584 -2.670 6.407 99 HE2 LYS 12 2HE LYS 12 -3.664 -5.418 5.489 100 HE3 LYS 12 3HE LYS 12 -4.148 -4.978 7.127 101 HZ1 LYS 12 1HZ LYS 12 -6.365 -4.490 6.291 102 HZ2 LYS 12 2HZ LYS 12 -5.915 -6.085 5.963 103 HZ3 LYS 12 3HZ LYS 12 -5.895 -4.937 4.726 104 H GLN 13 H GLN 13 -4.973 -5.109 0.645 105 HA GLN 13 HA GLN 13 -3.058 -7.078 -0.140 106 HB2 GLN 13 2HB GLN 13 -5.345 -7.726 0.309 107 HB3 GLN 13 3HB GLN 13 -5.977 -6.548 -0.830 108 HG2 GLN 13 2HG GLN 13 -4.943 -7.884 -2.693 109 HG3 GLN 13 3HG GLN 13 -4.475 -9.089 -1.490 110 HE21 GLN 13 1HE2 GLN 13 -7.195 -7.498 -3.004 111 HE22 GLN 13 2HE2 GLN 13 -8.353 -8.743 -2.686 112 H VAL 14 H VAL 14 -4.848 -4.507 -1.897 113 HA VAL 14 HA VAL 14 -3.687 -4.868 -4.448 114 HB VAL 14 HB VAL 14 -4.781 -2.321 -3.136 115 HG11 VAL 14 1HG1 VAL 14 -3.315 -1.692 -5.011 116 HG12 VAL 14 2HG1 VAL 14 -5.005 -1.389 -5.424 117 HG13 VAL 14 3HG1 VAL 14 -4.177 -2.804 -6.081 118 HG21 VAL 14 1HG2 VAL 14 -6.475 -4.103 -3.363 119 HG22 VAL 14 2HG2 VAL 14 -6.119 -4.241 -5.083 120 HG23 VAL 14 3HG2 VAL 14 -6.836 -2.757 -4.446 121 H ALA 15 H ALA 15 -2.798 -2.877 -1.665 122 HA ALA 15 HA ALA 15 -0.689 -1.418 -2.784 123 HB1 ALA 15 1HB ALA 15 -0.162 -0.783 -0.478 124 HB2 ALA 15 2HB ALA 15 -1.190 -2.086 0.132 125 HB3 ALA 15 3HB ALA 15 -1.906 -0.739 -0.756 126 H LYS 16 H LYS 16 -0.696 -4.525 -1.006 127 HA LYS 16 HA LYS 16 2.143 -4.713 -0.812 128 HB2 LYS 16 2HB LYS 16 1.854 -6.926 0.041 129 HB3 LYS 16 3HB LYS 16 0.551 -5.954 0.700 130 HG2 LYS 16 2HG LYS 16 -1.042 -6.956 -0.824 131 HG3 LYS 16 3HG LYS 16 0.231 -7.803 -1.692 132 HD2 LYS 16 2HD LYS 16 -0.563 -8.308 1.206 133 HD3 LYS 16 3HD LYS 16 -1.038 -9.295 -0.179 134 HE2 LYS 16 2HE LYS 16 1.407 -9.741 -0.616 135 HE3 LYS 16 3HE LYS 16 1.780 -8.900 0.893 136 HZ1 LYS 16 1HZ LYS 16 0.357 -10.543 2.042 137 HZ2 LYS 16 2HZ LYS 16 1.705 -11.234 1.297 138 HZ3 LYS 16 3HZ LYS 16 0.177 -11.388 0.586 139 H GLU 17 H GLU 17 -0.256 -5.884 -3.171 140 HA GLU 17 HA GLU 17 1.549 -7.421 -4.751 141 HB2 GLU 17 2HB GLU 17 -1.093 -6.110 -5.511 142 HB3 GLU 17 3HB GLU 17 -0.223 -7.271 -6.514 143 HG2 GLU 17 2HG GLU 17 -1.448 -7.808 -3.793 144 HG3 GLU 17 3HG GLU 17 -2.080 -8.333 -5.349 145 H LYS 18 H LYS 18 0.567 -4.022 -4.764 146 HA LYS 18 HA LYS 18 1.819 -3.218 -7.163 147 HB2 LYS 18 2HB LYS 18 1.184 -1.642 -4.637 148 HB3 LYS 18 3HB LYS 18 1.747 -0.907 -6.133 149 HG2 LYS 18 2HG LYS 18 -0.865 -2.370 -5.690 150 HG3 LYS 18 3HG LYS 18 -0.644 -0.643 -5.964 151 HD2 LYS 18 2HD LYS 18 -0.066 -2.853 -7.988 152 HD3 LYS 18 3HD LYS 18 -1.493 -1.814 -7.975 153 HE2 LYS 18 2HE LYS 18 -0.085 0.158 -8.368 154 HE3 LYS 18 3HE LYS 18 1.366 -0.851 -8.336 155 HZ1 LYS 18 1HZ LYS 18 -0.853 -1.011 -10.298 156 HZ2 LYS 18 2HZ LYS 18 0.465 -2.064 -10.250 157 HZ3 LYS 18 3HZ LYS 18 0.706 -0.427 -10.588 158 H LEU 19 H LEU 19 3.003 -3.633 -3.880 159 HA LEU 19 HA LEU 19 5.647 -2.630 -4.380 160 HB2 LEU 19 2HB LEU 19 4.502 -4.296 -2.112 161 HB3 LEU 19 3HB LEU 19 6.159 -3.715 -2.151 162 HG LEU 19 HG LEU 19 3.629 -2.057 -1.913 163 HD11 LEU 19 1HD1 LEU 19 6.047 -2.306 -0.106 164 HD12 LEU 19 2HD1 LEU 19 4.448 -3.004 0.173 165 HD13 LEU 19 3HD1 LEU 19 4.651 -1.254 0.159 166 HD21 LEU 19 1HD2 LEU 19 6.438 -1.020 -2.399 167 HD22 LEU 19 2HD2 LEU 19 5.029 -0.040 -1.979 168 HD23 LEU 19 3HD2 LEU 19 5.068 -0.906 -3.509 169 H LEU 20 H LEU 20 4.120 -5.811 -4.454 170 HA LEU 20 HA LEU 20 6.548 -7.301 -4.794 171 HB2 LEU 20 2HB LEU 20 3.632 -8.041 -5.187 172 HB3 LEU 20 3HB LEU 20 4.950 -9.189 -5.375 173 HG LEU 20 HG LEU 20 4.293 -7.696 -2.795 174 HD11 LEU 20 1HD1 LEU 20 2.546 -9.317 -3.325 175 HD12 LEU 20 2HD1 LEU 20 3.475 -9.817 -1.916 176 HD13 LEU 20 3HD1 LEU 20 3.757 -10.597 -3.477 177 HD21 LEU 20 1HD2 LEU 20 5.903 -9.209 -1.716 178 HD22 LEU 20 2HD2 LEU 20 6.675 -8.207 -2.940 179 HD23 LEU 20 3HD2 LEU 20 6.321 -9.902 -3.287 180 H GLU 21 H GLU 21 4.508 -5.534 -6.961 181 HA GLU 21 HA GLU 21 5.326 -6.557 -9.460 182 HB2 GLU 21 2HB GLU 21 4.610 -3.744 -8.535 183 HB3 GLU 21 3HB GLU 21 5.005 -4.100 -10.212 184 HG2 GLU 21 2HG GLU 21 2.700 -5.291 -8.646 185 HG3 GLU 21 3HG GLU 21 2.582 -4.005 -9.845 186 H GLN 22 H GLN 22 6.830 -4.374 -7.182 187 HA GLN 22 HA GLN 22 9.052 -3.616 -8.892 188 HB2 GLN 22 2HB GLN 22 8.391 -2.961 -5.980 189 HB3 GLN 22 3HB GLN 22 9.663 -2.192 -6.932 190 HG2 GLN 22 2HG GLN 22 8.055 -1.156 -8.397 191 HG3 GLN 22 3HG GLN 22 6.729 -2.097 -7.716 192 HE21 GLN 22 1HE2 GLN 22 5.910 -1.528 -5.707 193 HE22 GLN 22 2HE2 GLN 22 6.224 -0.008 -4.977 194 H SER 23 H SER 23 8.429 -5.788 -6.160 195 HA SER 23 HA SER 23 10.984 -7.113 -6.510 196 HB2 SER 23 2HB SER 23 11.479 -5.193 -4.935 197 HB3 SER 23 3HB SER 23 10.339 -5.888 -3.791 198 HG SER 23 HG SER 23 12.889 -6.462 -4.075 199 HA PRO 24 HA PRO 24 7.366 -9.940 -5.756 200 HB2 PRO 24 2HB PRO 24 9.176 -11.867 -7.195 201 HB3 PRO 24 3HB PRO 24 7.485 -11.433 -7.532 202 HG2 PRO 24 2HG PRO 24 9.441 -10.551 -9.120 203 HG3 PRO 24 3HG PRO 24 8.053 -9.514 -8.713 204 HD2 PRO 24 2HD PRO 24 10.840 -9.457 -7.560 205 HD3 PRO 24 3HD PRO 24 9.797 -8.109 -8.062 206 H ASN 25 H ASN 25 10.791 -10.884 -5.321 207 HA ASN 25 HA ASN 25 10.111 -13.131 -3.588 208 HB2 ASN 25 2HB ASN 25 12.824 -12.068 -4.500 209 HB3 ASN 25 3HB ASN 25 12.580 -13.551 -3.580 210 HD21 ASN 25 1HD2 ASN 25 11.591 -15.352 -4.620 211 HD22 ASN 25 2HD2 ASN 25 11.486 -15.447 -6.343 212 H SER 26 H SER 26 10.428 -9.867 -3.029 213 HA SER 26 HA SER 26 11.766 -9.989 -0.449 214 HB2 SER 26 2HB SER 26 12.008 -7.975 -1.852 215 HB3 SER 26 3HB SER 26 10.269 -7.700 -1.796 216 HG SER 26 HG SER 26 12.202 -7.329 0.172 217 H LYS 27 H LYS 27 10.722 -9.288 1.542 218 HA LYS 27 HA LYS 27 7.990 -10.329 1.845 219 HB2 LYS 27 2HB LYS 27 9.721 -11.154 3.398 220 HB3 LYS 27 3HB LYS 27 10.085 -9.512 3.913 221 HG2 LYS 27 2HG LYS 27 8.735 -10.652 5.599 222 HG3 LYS 27 3HG LYS 27 7.837 -9.306 4.902 223 HD2 LYS 27 2HD LYS 27 6.251 -11.043 5.073 224 HD3 LYS 27 3HD LYS 27 6.704 -11.051 3.373 225 HE2 LYS 27 2HE LYS 27 7.843 -12.948 5.460 226 HE3 LYS 27 3HE LYS 27 6.485 -13.325 4.405 227 HZ1 LYS 27 1HZ LYS 27 8.552 -14.235 3.566 228 HZ2 LYS 27 2HZ LYS 27 9.239 -12.698 3.489 229 HZ3 LYS 27 3HZ LYS 27 7.935 -13.087 2.492 230 H VAL 28 H VAL 28 6.266 -9.040 2.258 231 HA VAL 28 HA VAL 28 6.682 -6.150 2.763 232 HB VAL 28 HB VAL 28 4.362 -7.483 1.281 233 HG11 VAL 28 1HG1 VAL 28 3.594 -5.175 0.799 234 HG12 VAL 28 2HG1 VAL 28 4.895 -4.531 1.802 235 HG13 VAL 28 3HG1 VAL 28 3.613 -5.498 2.535 236 HG21 VAL 28 1HG2 VAL 28 6.418 -7.447 -0.094 237 HG22 VAL 28 2HG2 VAL 28 6.589 -5.712 0.182 238 HG23 VAL 28 3HG2 VAL 28 5.214 -6.328 -0.740 239 H GLN 29 H GLN 29 6.278 -5.770 4.861 240 HA GLN 29 HA GLN 29 3.916 -6.946 6.223 241 HB2 GLN 29 2HB GLN 29 6.506 -5.707 7.269 242 HB3 GLN 29 3HB GLN 29 5.109 -5.947 8.316 243 HG2 GLN 29 2HG GLN 29 6.577 -8.162 6.834 244 HG3 GLN 29 3HG GLN 29 6.808 -7.743 8.533 245 HE21 GLN 29 1HE2 GLN 29 5.115 -8.185 10.021 246 HE22 GLN 29 2HE2 GLN 29 3.848 -9.300 9.651 247 H VAL 30 H VAL 30 2.156 -5.583 6.341 248 HA VAL 30 HA VAL 30 2.257 -2.833 5.603 249 HB VAL 30 HB VAL 30 0.075 -4.260 7.195 250 HG11 VAL 30 1HG1 VAL 30 -0.032 -1.653 5.623 251 HG12 VAL 30 2HG1 VAL 30 -0.049 -1.796 7.381 252 HG13 VAL 30 3HG1 VAL 30 -1.392 -2.425 6.437 253 HG21 VAL 30 1HG2 VAL 30 -1.087 -4.548 5.035 254 HG22 VAL 30 2HG2 VAL 30 0.478 -5.363 5.010 255 HG23 VAL 30 3HG2 VAL 30 0.277 -3.815 4.185 256 H ARG 31 H ARG 31 3.057 -1.218 6.794 257 HA ARG 31 HA ARG 31 3.831 -1.627 9.567 258 HB2 ARG 31 2HB ARG 31 5.241 -0.499 7.660 259 HB3 ARG 31 3HB ARG 31 4.270 0.934 7.969 260 HG2 ARG 31 2HG ARG 31 6.347 1.128 9.192 261 HG3 ARG 31 3HG ARG 31 5.048 0.885 10.365 262 HD2 ARG 31 2HD ARG 31 5.653 -1.588 10.382 263 HD3 ARG 31 3HD ARG 31 7.055 -1.183 9.380 264 HE ARG 31 HE ARG 31 7.081 0.415 11.704 265 HH11 ARG 31 1HH1 ARG 31 7.567 -2.956 10.777 266 HH12 ARG 31 2HH1 ARG 31 8.628 -3.291 12.109 267 HH21 ARG 31 1HH2 ARG 31 8.504 -0.056 13.428 268 HH22 ARG 31 2HH2 ARG 31 9.155 -1.656 13.602 269 H ARG 32 H ARG 32 1.868 0.712 7.738 270 HA ARG 32 HA ARG 32 0.121 1.255 10.018 271 HB2 ARG 32 2HB ARG 32 1.761 3.397 8.578 272 HB3 ARG 32 3HB ARG 32 0.330 3.771 9.532 273 HG2 ARG 32 2HG ARG 32 1.402 3.012 11.568 274 HG3 ARG 32 3HG ARG 32 2.801 2.419 10.670 275 HD2 ARG 32 2HD ARG 32 3.234 4.588 11.801 276 HD3 ARG 32 3HD ARG 32 3.424 4.686 10.051 277 HE ARG 32 HE ARG 32 1.281 5.807 9.936 278 HH11 ARG 32 1HH1 ARG 32 2.768 5.729 13.136 279 HH12 ARG 32 2HH1 ARG 32 1.865 7.092 13.715 280 HH21 ARG 32 1HH2 ARG 32 0.077 7.541 10.721 281 HH22 ARG 32 2HH2 ARG 32 0.339 8.120 12.338 282 H VAL 33 H VAL 33 -1.900 2.244 9.359 283 HA VAL 33 HA VAL 33 -2.456 2.445 6.448 284 HB VAL 33 HB VAL 33 -4.351 1.163 8.498 285 HG11 VAL 33 1HG1 VAL 33 -5.604 2.421 6.790 286 HG12 VAL 33 2HG1 VAL 33 -5.828 0.688 6.551 287 HG13 VAL 33 3HG1 VAL 33 -4.730 1.587 5.501 288 HG21 VAL 33 1HG2 VAL 33 -4.063 -0.933 7.240 289 HG22 VAL 33 2HG2 VAL 33 -2.521 -0.375 7.892 290 HG23 VAL 33 3HG2 VAL 33 -2.886 -0.149 6.180 291 H GLN 34 H GLN 34 -3.093 4.511 6.056 292 HA GLN 34 HA GLN 34 -4.499 6.043 8.175 293 HB2 GLN 34 2HB GLN 34 -2.517 6.968 6.057 294 HB3 GLN 34 3HB GLN 34 -3.613 8.102 6.835 295 HG2 GLN 34 2HG GLN 34 -1.517 8.228 7.977 296 HG3 GLN 34 3HG GLN 34 -2.665 7.438 9.056 297 HE21 GLN 34 1HE2 GLN 34 -0.907 5.923 6.358 298 HE22 GLN 34 2HE2 GLN 34 0.044 4.881 7.350 299 H LYS 35 H LYS 35 -6.485 6.739 7.753 300 HA LYS 35 HA LYS 35 -7.630 6.436 5.036 301 HB2 LYS 35 2HB LYS 35 -8.675 4.940 6.637 302 HB3 LYS 35 3HB LYS 35 -8.844 6.216 7.830 303 HG2 LYS 35 2HG LYS 35 -11.001 5.622 6.813 304 HG3 LYS 35 3HG LYS 35 -10.573 7.305 6.484 305 HD2 LYS 35 2HD LYS 35 -9.804 6.651 4.214 306 HD3 LYS 35 3HD LYS 35 -10.252 4.975 4.553 307 HE2 LYS 35 2HE LYS 35 -11.944 6.227 3.202 308 HE3 LYS 35 3HE LYS 35 -12.590 5.571 4.709 309 HZ1 LYS 35 1HZ LYS 35 -12.369 7.748 5.720 310 HZ2 LYS 35 2HZ LYS 35 -13.313 7.842 4.327 311 HZ3 LYS 35 3HZ LYS 35 -11.719 8.383 4.295 312 H GLN 36 H GLN 36 -7.680 8.380 4.048 313 HA GLN 36 HA GLN 36 -8.615 10.776 5.520 314 HB2 GLN 36 2HB GLN 36 -6.209 10.606 3.643 315 HB3 GLN 36 3HB GLN 36 -6.927 12.126 4.162 316 HG2 GLN 36 2HG GLN 36 -5.699 10.059 6.021 317 HG3 GLN 36 3HG GLN 36 -4.890 11.524 5.460 318 HE21 GLN 36 1HE2 GLN 36 -5.672 10.617 8.184 319 HE22 GLN 36 2HE2 GLN 36 -6.593 11.915 8.850 320 H GLY 37 H GLY 37 -10.589 11.035 4.647 321 HA2 GLY 37 2HA GLY 37 -12.226 11.595 3.154 322 HA3 GLY 37 3HA GLY 37 -10.971 11.909 1.969 323 H ASN 38 H ASN 38 -10.689 10.458 0.340 324 HA ASN 38 HA ASN 38 -12.044 7.815 0.472 325 HB2 ASN 38 2HB ASN 38 -11.445 9.585 -1.947 326 HB3 ASN 38 3HB ASN 38 -11.926 7.896 -2.084 327 HD21 ASN 38 1HD2 ASN 38 -13.805 8.405 -3.202 328 HD22 ASN 38 2HD2 ASN 38 -15.162 9.164 -2.454 329 H THR 39 H THR 39 -9.063 9.509 0.175 330 HA THR 39 HA THR 39 -7.567 7.335 -1.052 331 HB THR 39 HB THR 39 -6.503 9.926 0.144 332 HG1 THR 39 HG1 THR 39 -7.788 9.440 -2.303 333 HG21 THR 39 1HG2 THR 39 -4.619 9.589 -1.437 334 HG22 THR 39 2HG2 THR 39 -5.318 8.047 -1.941 335 HG23 THR 39 3HG2 THR 39 -4.742 8.256 -0.284 336 H ILE 40 H ILE 40 -7.391 5.631 0.346 337 HA ILE 40 HA ILE 40 -6.376 5.939 3.052 338 HB ILE 40 HB ILE 40 -6.728 3.401 1.382 339 HG12 ILE 40 2HG1 ILE 40 -8.557 4.717 3.439 340 HG13 ILE 40 3HG1 ILE 40 -8.895 4.476 1.730 341 HG21 ILE 40 1HG2 ILE 40 -6.541 2.192 3.521 342 HG22 ILE 40 2HG2 ILE 40 -6.266 3.711 4.378 343 HG23 ILE 40 3HG2 ILE 40 -5.080 3.129 3.208 344 HD11 ILE 40 1HD1 ILE 40 -8.655 2.295 3.814 345 HD12 ILE 40 2HD1 ILE 40 -9.006 2.059 2.101 346 HD13 ILE 40 3HD1 ILE 40 -10.143 2.933 3.119 347 H ARG 41 H ARG 41 -4.311 6.638 3.181 348 HA ARG 41 HA ARG 41 -2.211 5.766 1.340 349 HB2 ARG 41 2HB ARG 41 -2.129 7.643 3.757 350 HB3 ARG 41 3HB ARG 41 -0.760 7.305 2.698 351 HG2 ARG 41 2HG ARG 41 -2.099 8.250 0.783 352 HG3 ARG 41 3HG ARG 41 -3.340 8.720 1.951 353 HD2 ARG 41 2HD ARG 41 -0.446 9.655 2.079 354 HD3 ARG 41 3HD ARG 41 -1.741 10.554 1.288 355 HE ARG 41 HE ARG 41 -1.838 9.879 4.175 356 HH11 ARG 41 1HH1 ARG 41 -2.006 12.309 1.622 357 HH12 ARG 41 2HH1 ARG 41 -2.482 13.582 2.701 358 HH21 ARG 41 1HH2 ARG 41 -2.493 11.592 5.563 359 HH22 ARG 41 2HH2 ARG 41 -2.751 13.177 4.919 360 H VAL 42 H VAL 42 -1.916 3.612 1.747 361 HA VAL 42 HA VAL 42 -1.512 2.598 4.462 362 HB VAL 42 HB VAL 42 -1.253 1.080 1.812 363 HG11 VAL 42 1HG1 VAL 42 -1.553 -0.951 3.191 364 HG12 VAL 42 2HG1 VAL 42 -1.635 0.040 4.652 365 HG13 VAL 42 3HG1 VAL 42 -0.136 -0.039 3.725 366 HG21 VAL 42 1HG2 VAL 42 -3.664 1.304 3.648 367 HG22 VAL 42 2HG2 VAL 42 -3.533 0.226 2.252 368 HG23 VAL 42 3HG2 VAL 42 -3.524 1.978 2.018 369 H GLU 43 H GLU 43 0.448 2.811 5.350 370 HA GLU 43 HA GLU 43 2.906 2.945 3.761 371 HB2 GLU 43 2HB GLU 43 2.429 3.137 6.774 372 HB3 GLU 43 3HB GLU 43 3.980 3.409 5.974 373 HG2 GLU 43 2HG GLU 43 2.999 5.339 4.752 374 HG3 GLU 43 3HG GLU 43 1.453 5.064 5.552 375 H LEU 44 H LEU 44 3.977 1.088 3.284 376 HA LEU 44 HA LEU 44 3.710 -1.264 5.071 377 HB2 LEU 44 2HB LEU 44 4.177 -1.538 2.089 378 HB3 LEU 44 3HB LEU 44 3.753 -2.781 3.249 379 HG LEU 44 HG LEU 44 1.479 -1.398 3.450 380 HD11 LEU 44 1HD1 LEU 44 2.415 -0.575 0.687 381 HD12 LEU 44 2HD1 LEU 44 2.169 0.498 2.069 382 HD13 LEU 44 3HD1 LEU 44 0.793 -0.336 1.350 383 HD21 LEU 44 1HD2 LEU 44 1.601 -3.708 2.652 384 HD22 LEU 44 2HD2 LEU 44 2.066 -3.149 1.044 385 HD23 LEU 44 3HD2 LEU 44 0.463 -2.771 1.686 386 H GLU 45 H GLU 45 5.521 -2.851 4.595 387 HA GLU 45 HA GLU 45 8.131 -1.449 4.533 388 HB2 GLU 45 2HB GLU 45 7.478 -2.058 6.824 389 HB3 GLU 45 3HB GLU 45 7.087 -3.698 6.321 390 HG2 GLU 45 2HG GLU 45 9.543 -4.022 5.777 391 HG3 GLU 45 3HG GLU 45 9.846 -2.448 6.514 392 H LEU 46 H LEU 46 8.857 -2.043 2.517 393 HA LEU 46 HA LEU 46 8.977 -4.932 1.820 394 HB2 LEU 46 2HB LEU 46 7.907 -3.415 0.142 395 HB3 LEU 46 3HB LEU 46 9.379 -2.477 0.048 396 HG LEU 46 HG LEU 46 9.264 -5.415 -0.785 397 HD11 LEU 46 1HD1 LEU 46 9.060 -4.643 -3.110 398 HD12 LEU 46 2HD1 LEU 46 8.890 -2.977 -2.546 399 HD13 LEU 46 3HD1 LEU 46 7.665 -4.179 -2.143 400 HD21 LEU 46 1HD2 LEU 46 11.257 -4.877 -2.148 401 HD22 LEU 46 2HD2 LEU 46 11.550 -4.600 -0.437 402 HD23 LEU 46 3HD2 LEU 46 11.252 -3.229 -1.505 403 H ARG 47 H ARG 47 10.991 -5.880 1.735 404 HA ARG 47 HA ARG 47 13.172 -4.236 2.870 405 HB2 ARG 47 2HB ARG 47 12.769 -7.260 2.853 406 HB3 ARG 47 3HB ARG 47 14.118 -6.412 3.619 407 HG2 ARG 47 2HG ARG 47 12.567 -5.278 5.161 408 HG3 ARG 47 3HG ARG 47 11.186 -6.040 4.367 409 HD2 ARG 47 2HD ARG 47 11.997 -8.254 5.095 410 HD3 ARG 47 3HD ARG 47 13.384 -7.488 5.878 411 HE ARG 47 HE ARG 47 10.791 -6.529 6.762 412 HH11 ARG 47 1HH1 ARG 47 13.332 -8.891 7.378 413 HH12 ARG 47 2HH1 ARG 47 12.854 -9.157 9.023 414 HH21 ARG 47 1HH2 ARG 47 10.185 -6.867 8.915 415 HH22 ARG 47 2HH2 ARG 47 11.062 -8.003 9.897 416 H THR 48 H THR 48 14.161 -3.332 1.210 417 HA THR 48 HA THR 48 14.746 -4.740 -1.290 418 HB THR 48 HB THR 48 15.328 -1.840 -0.512 419 HG1 THR 48 HG1 THR 48 13.023 -2.602 -0.593 420 HG21 THR 48 1HG2 THR 48 15.216 -3.182 -3.244 421 HG22 THR 48 2HG2 THR 48 16.684 -2.620 -2.435 422 HG23 THR 48 3HG2 THR 48 15.457 -1.461 -2.959 423 H ASN 49 H ASN 49 16.605 -5.856 -1.435 424 HA ASN 49 HA ASN 49 18.712 -6.627 -1.219 425 HB2 ASN 49 2HB ASN 49 19.344 -3.728 -0.477 426 HB3 ASN 49 3HB ASN 49 20.567 -4.955 -0.801 427 HD21 ASN 49 1HD2 ASN 49 21.386 -3.681 -2.501 428 HD22 ASN 49 2HD2 ASN 49 20.591 -3.593 -4.031 429 H GLY 50 H GLY 50 16.795 -6.449 1.128 430 HA2 GLY 50 2HA GLY 50 16.941 -7.543 3.206 431 HA3 GLY 50 3HA GLY 50 18.662 -7.206 3.281 432 H LYS 51 H LYS 51 17.789 -4.318 2.410 433 HA LYS 51 HA LYS 51 17.678 -3.176 5.067 434 HB2 LYS 51 2HB LYS 51 17.532 -1.906 2.297 435 HB3 LYS 51 3HB LYS 51 17.627 -1.000 3.806 436 HG2 LYS 51 2HG LYS 51 19.856 -1.753 4.230 437 HG3 LYS 51 3HG LYS 51 19.773 -2.953 2.931 438 HD2 LYS 51 2HD LYS 51 21.069 -0.926 2.267 439 HD3 LYS 51 3HD LYS 51 19.666 -1.195 1.239 440 HE2 LYS 51 2HE LYS 51 18.427 0.548 2.556 441 HE3 LYS 51 3HE LYS 51 19.896 0.842 3.488 442 HZ1 LYS 51 1HZ LYS 51 21.000 1.611 1.535 443 HZ2 LYS 51 2HZ LYS 51 19.508 2.414 1.621 444 HZ3 LYS 51 3HZ LYS 51 19.717 1.127 0.540 445 H LYS 52 H LYS 52 15.945 -2.051 5.981 446 HA LYS 52 HA LYS 52 13.273 -2.585 5.021 447 HB2 LYS 52 2HB LYS 52 13.656 -2.623 7.423 448 HB3 LYS 52 3HB LYS 52 14.329 -0.994 7.398 449 HG2 LYS 52 2HG LYS 52 12.074 -0.130 6.703 450 HG3 LYS 52 3HG LYS 52 11.436 -1.768 6.884 451 HD2 LYS 52 2HD LYS 52 12.067 -1.738 9.282 452 HD3 LYS 52 3HD LYS 52 12.708 -0.102 9.093 453 HE2 LYS 52 2HE LYS 52 10.458 0.718 8.531 454 HE3 LYS 52 3HE LYS 52 9.813 -0.921 8.687 455 HZ1 LYS 52 1HZ LYS 52 11.112 0.624 10.857 456 HZ2 LYS 52 2HZ LYS 52 10.438 -0.920 11.002 457 HZ3 LYS 52 3HZ LYS 52 9.446 0.410 10.673 458 H GLU 53 H GLU 53 12.671 -1.467 3.267 459 HA GLU 53 HA GLU 53 12.870 1.501 3.249 460 HB2 GLU 53 2HB GLU 53 12.340 -0.418 0.923 461 HB3 GLU 53 3HB GLU 53 12.421 1.339 0.804 462 HG2 GLU 53 2HG GLU 53 14.709 -0.511 1.550 463 HG3 GLU 53 3HG GLU 53 14.470 0.244 -0.023 464 H ASN 54 H ASN 54 11.018 2.438 3.901 465 HA ASN 54 HA ASN 54 8.472 0.986 3.880 466 HB2 ASN 54 2HB ASN 54 9.158 3.763 4.946 467 HB3 ASN 54 3HB ASN 54 7.585 2.982 5.099 468 HD21 ASN 54 1HD2 ASN 54 10.891 2.997 6.214 469 HD22 ASN 54 2HD2 ASN 54 10.646 1.960 7.564 470 H TYR 55 H TYR 55 6.854 1.341 2.441 471 HA TYR 55 HA TYR 55 7.052 3.614 0.529 472 HB2 TYR 55 2HB TYR 55 6.022 0.796 -0.061 473 HB3 TYR 55 3HB TYR 55 6.035 2.141 -1.192 474 HD1 TYR 55 HD1 TYR 55 8.034 2.626 -2.496 475 HD2 TYR 55 HD2 TYR 55 8.222 -0.215 0.688 476 HE1 TYR 55 HE1 TYR 55 10.261 1.894 -3.255 477 HE2 TYR 55 HE2 TYR 55 10.428 -0.927 -0.073 478 HH TYR 55 HH TYR 55 11.838 -0.911 -1.937 479 H THR 56 H THR 56 5.389 4.958 0.886 480 HA THR 56 HA THR 56 2.855 4.090 2.009 481 HB THR 56 HB THR 56 3.686 6.858 1.013 482 HG1 THR 56 HG1 THR 56 4.272 5.474 3.355 483 HG21 THR 56 1HG2 THR 56 1.884 7.684 2.501 484 HG22 THR 56 2HG2 THR 56 1.443 6.023 2.900 485 HG23 THR 56 3HG2 THR 56 1.233 6.616 1.251 486 H VAL 57 H VAL 57 1.757 2.900 0.512 487 HA VAL 57 HA VAL 57 1.478 3.779 -2.269 488 HB VAL 57 HB VAL 57 0.268 1.311 -0.919 489 HG11 VAL 57 1HG1 VAL 57 -0.053 0.469 -3.231 490 HG12 VAL 57 2HG1 VAL 57 0.580 1.987 -3.876 491 HG13 VAL 57 3HG1 VAL 57 -0.936 1.976 -2.970 492 HG21 VAL 57 1HG2 VAL 57 2.809 1.492 -2.584 493 HG22 VAL 57 2HG2 VAL 57 2.076 0.004 -1.975 494 HG23 VAL 57 3HG2 VAL 57 2.730 1.191 -0.845 495 H GLU 58 H GLU 58 0.131 5.396 -2.424 496 HA GLU 58 HA GLU 58 -2.185 5.855 -0.758 497 HB2 GLU 58 2HB GLU 58 -1.272 7.343 -3.271 498 HB3 GLU 58 3HB GLU 58 -2.394 7.937 -2.044 499 HG2 GLU 58 2HG GLU 58 -0.535 7.934 -0.378 500 HG3 GLU 58 3HG GLU 58 0.568 7.373 -1.634 501 H VAL 59 H VAL 59 -3.856 4.478 -1.169 502 HA VAL 59 HA VAL 59 -4.781 4.047 -3.965 503 HB VAL 59 HB VAL 59 -5.500 2.352 -1.524 504 HG11 VAL 59 1HG1 VAL 59 -7.088 2.209 -3.397 505 HG12 VAL 59 2HG1 VAL 59 -6.234 0.679 -3.177 506 HG13 VAL 59 3HG1 VAL 59 -5.774 1.768 -4.490 507 HG21 VAL 59 1HG2 VAL 59 -3.866 0.654 -2.292 508 HG22 VAL 59 2HG2 VAL 59 -3.062 2.165 -1.857 509 HG23 VAL 59 3HG2 VAL 59 -3.313 1.756 -3.559 510 H GLU 60 H GLU 60 -6.921 4.707 -4.449 511 HA GLU 60 HA GLU 60 -8.444 6.076 -2.308 512 HB2 GLU 60 2HB GLU 60 -7.331 7.701 -3.797 513 HB3 GLU 60 3HB GLU 60 -8.077 6.946 -5.209 514 HG2 GLU 60 2HG GLU 60 -10.332 7.558 -4.294 515 HG3 GLU 60 3HG GLU 60 -9.533 8.385 -2.956 516 H ARG 61 H ARG 61 -10.640 5.818 -2.301 517 HA ARG 61 HA ARG 61 -11.881 3.717 -3.854 518 HB2 ARG 61 2HB ARG 61 -12.391 4.146 -1.430 519 HB3 ARG 61 3HB ARG 61 -13.124 5.682 -1.862 520 HG2 ARG 61 2HG ARG 61 -14.852 4.024 -1.471 521 HG3 ARG 61 3HG ARG 61 -14.849 4.469 -3.177 522 HD2 ARG 61 2HD ARG 61 -14.592 2.287 -3.769 523 HD3 ARG 61 3HD ARG 61 -13.102 2.171 -2.846 524 HE ARG 61 HE ARG 61 -14.213 0.950 -1.292 525 HH11 ARG 61 1HH1 ARG 61 -16.667 2.786 -3.017 526 HH12 ARG 61 2HH1 ARG 61 -17.988 2.019 -2.203 527 HH21 ARG 61 1HH2 ARG 61 -16.003 -0.068 -0.253 528 HH22 ARG 61 2HH2 ARG 61 -17.620 0.417 -0.653 529 H GLN 62 H GLN 62 -12.497 4.163 -5.888 530 HA GLN 62 HA GLN 62 -14.021 6.642 -6.490 531 HB2 GLN 62 2HB GLN 62 -12.265 4.988 -8.385 532 HB3 GLN 62 3HB GLN 62 -13.281 6.336 -8.883 533 HG2 GLN 62 2HG GLN 62 -11.955 7.841 -7.383 534 HG3 GLN 62 3HG GLN 62 -10.885 6.489 -7.016 535 HE21 GLN 62 1HE2 GLN 62 -10.125 8.982 -8.155 536 HE22 GLN 62 2HE2 GLN 62 -9.477 8.671 -9.728 537 H GLY 63 H GLY 63 -16.104 5.996 -6.313 538 HA2 GLY 63 2HA GLY 63 -18.060 4.839 -6.653 539 HA3 GLY 63 3HA GLY 63 -17.244 3.884 -7.884 540 H ASN 64 H ASN 64 -16.575 1.856 -7.372 541 HA ASN 64 HA ASN 64 -16.349 1.038 -4.524 542 HB2 ASN 64 2HB ASN 64 -17.229 -0.681 -6.893 543 HB3 ASN 64 3HB ASN 64 -16.900 -1.299 -5.278 544 HD21 ASN 64 1HD2 ASN 64 -18.176 0.961 -3.885 545 HD22 ASN 64 2HD2 ASN 64 -19.871 0.766 -4.122 546 H THR 65 H THR 65 -14.803 1.402 -7.580 547 HA THR 65 HA THR 65 -12.852 -0.709 -7.292 548 HB THR 65 HB THR 65 -11.762 0.340 -9.304 549 HG1 THR 65 HG1 THR 65 -12.940 2.524 -8.579 550 HG21 THR 65 1HG2 THR 65 -14.767 -0.044 -9.602 551 HG22 THR 65 2HG2 THR 65 -13.557 -1.332 -9.635 552 HG23 THR 65 3HG2 THR 65 -13.587 -0.105 -10.906 553 H TRP 66 H TRP 66 -10.805 -0.591 -6.510 554 HA TRP 66 HA TRP 66 -9.892 1.856 -5.151 555 HB2 TRP 66 2HB TRP 66 -9.081 -1.081 -4.938 556 HB3 TRP 66 3HB TRP 66 -8.187 0.213 -4.141 557 HD1 TRP 66 HD1 TRP 66 -11.236 -1.953 -3.650 558 HE1 TRP 66 HE1 TRP 66 -12.476 -1.222 -1.509 559 HE3 TRP 66 HE3 TRP 66 -8.774 2.443 -2.726 560 HZ2 TRP 66 HZ2 TRP 66 -12.423 0.943 0.303 561 HZ3 TRP 66 HZ3 TRP 66 -9.436 3.786 -0.772 562 HH2 TRP 66 HH2 TRP 66 -11.234 3.046 0.714 563 H THR 67 H THR 67 -8.664 3.163 -6.316 564 HA THR 67 HA THR 67 -6.923 2.116 -8.466 565 HB THR 67 HB THR 67 -8.773 3.827 -9.006 566 HG1 THR 67 HG1 THR 67 -7.185 3.579 -10.500 567 HG21 THR 67 1HG2 THR 67 -8.284 6.216 -8.588 568 HG22 THR 67 2HG2 THR 67 -6.877 5.775 -7.624 569 HG23 THR 67 3HG2 THR 67 -8.490 5.343 -7.060 570 H VAL 68 H VAL 68 -4.698 2.514 -8.395 571 HA VAL 68 HA VAL 68 -3.609 3.638 -5.914 572 HB VAL 68 HB VAL 68 -2.128 2.301 -8.223 573 HG11 VAL 68 1HG1 VAL 68 -0.231 2.108 -6.633 574 HG12 VAL 68 2HG1 VAL 68 -1.147 3.008 -5.420 575 HG13 VAL 68 3HG1 VAL 68 -0.648 3.801 -6.916 576 HG21 VAL 68 1HG2 VAL 68 -3.701 0.757 -7.116 577 HG22 VAL 68 2HG2 VAL 68 -3.006 1.156 -5.541 578 HG23 VAL 68 3HG2 VAL 68 -2.031 0.320 -6.751 579 H LYS 69 H LYS 69 -3.236 5.709 -5.806 580 HA LYS 69 HA LYS 69 -2.926 7.548 -7.959 581 HB2 LYS 69 2HB LYS 69 -2.400 7.799 -4.962 582 HB3 LYS 69 3HB LYS 69 -2.329 9.160 -6.080 583 HG2 LYS 69 2HG LYS 69 -4.798 7.468 -5.567 584 HG3 LYS 69 3HG LYS 69 -4.454 9.023 -4.793 585 HD2 LYS 69 2HD LYS 69 -4.438 10.107 -7.059 586 HD3 LYS 69 3HD LYS 69 -4.865 8.551 -7.783 587 HE2 LYS 69 2HE LYS 69 -6.982 8.534 -6.599 588 HE3 LYS 69 3HE LYS 69 -6.542 9.988 -5.707 589 HZ1 LYS 69 1HZ LYS 69 -8.022 10.546 -7.460 590 HZ2 LYS 69 2HZ LYS 69 -7.057 9.787 -8.612 591 HZ3 LYS 69 3HZ LYS 69 -6.502 11.180 -7.844 592 H ARG 70 H ARG 70 -0.657 6.387 -5.453 593 HA ARG 70 HA ARG 70 1.651 6.516 -7.158 594 HB2 ARG 70 2HB ARG 70 0.925 8.930 -5.661 595 HB3 ARG 70 3HB ARG 70 2.436 8.318 -5.016 596 HG2 ARG 70 2HG ARG 70 1.911 9.012 -7.926 597 HG3 ARG 70 3HG ARG 70 2.785 10.013 -6.761 598 HD2 ARG 70 2HD ARG 70 4.480 8.187 -6.529 599 HD3 ARG 70 3HD ARG 70 3.627 7.267 -7.778 600 HE ARG 70 HE ARG 70 4.288 9.895 -8.685 601 HH11 ARG 70 1HH1 ARG 70 5.751 6.727 -8.183 602 HH12 ARG 70 2HH1 ARG 70 6.980 6.975 -9.374 603 HH21 ARG 70 1HH2 ARG 70 5.902 10.191 -10.239 604 HH22 ARG 70 2HH2 ARG 70 7.062 8.943 -10.542 605 H ILE 71 H ILE 71 3.046 5.005 -6.449 606 HA ILE 71 HA ILE 71 3.109 4.190 -3.632 607 HB ILE 71 HB ILE 71 4.910 3.280 -5.937 608 HG12 ILE 71 2HG1 ILE 71 2.499 1.780 -4.807 609 HG13 ILE 71 3HG1 ILE 71 2.442 2.732 -6.288 610 HG21 ILE 71 1HG2 ILE 71 5.934 2.899 -3.761 611 HG22 ILE 71 2HG2 ILE 71 5.392 1.356 -4.404 612 HG23 ILE 71 3HG2 ILE 71 4.458 2.155 -3.149 613 HD11 ILE 71 1HD1 ILE 71 2.694 0.442 -6.862 614 HD12 ILE 71 2HD1 ILE 71 4.074 0.246 -5.785 615 HD13 ILE 71 3HD1 ILE 71 4.214 1.250 -7.233 616 H THR 72 H THR 72 4.099 5.713 -2.432 617 HA THR 72 HA THR 72 6.361 7.268 -3.489 618 HB THR 72 HB THR 72 4.669 7.773 -0.990 619 HG1 THR 72 HG1 THR 72 3.267 8.670 -2.281 620 HG21 THR 72 1HG2 THR 72 5.603 10.062 -1.116 621 HG22 THR 72 2HG2 THR 72 6.591 9.597 -2.503 622 HG23 THR 72 3HG2 THR 72 6.893 8.874 -0.919 623 H ARG 73 H ARG 73 8.223 6.159 -3.087 624 HA ARG 73 HA ARG 73 8.811 4.638 -0.747 625 HB2 ARG 73 2HB ARG 73 10.103 4.389 -2.860 626 HB3 ARG 73 3HB ARG 73 10.681 6.046 -2.713 627 HG2 ARG 73 2HG ARG 73 11.861 5.394 -0.584 628 HG3 ARG 73 3HG ARG 73 11.361 3.724 -0.861 629 HD2 ARG 73 2HD ARG 73 12.674 3.628 -2.903 630 HD3 ARG 73 3HD ARG 73 13.049 5.351 -2.789 631 HE ARG 73 HE ARG 73 13.916 3.916 -0.466 632 HH11 ARG 73 1HH1 ARG 73 14.845 4.582 -3.796 633 HH12 ARG 73 2HH1 ARG 73 16.532 4.334 -3.501 634 HH21 ARG 73 1HH2 ARG 73 16.135 3.602 -0.094 635 HH22 ARG 73 2HH2 ARG 73 17.267 3.776 -1.398 636 H THR 74 H THR 74 9.656 5.306 1.189 637 HA THR 74 HA THR 74 9.488 7.942 2.131 638 HB THR 74 HB THR 74 9.431 5.966 3.635 639 HG1 THR 74 HG1 THR 74 10.486 6.970 5.298 640 HG21 THR 74 1HG2 THR 74 11.198 4.575 2.623 641 HG22 THR 74 2HG2 THR 74 11.522 4.842 4.339 642 HG23 THR 74 3HG2 THR 74 12.420 5.749 3.119 643 H VAL 75 H VAL 75 11.233 9.378 2.842 644 HA VAL 75 HA VAL 75 13.231 9.860 0.907 645 HB VAL 75 HB VAL 75 13.104 10.881 3.790 646 HG11 VAL 75 1HG1 VAL 75 15.365 11.173 2.848 647 HG12 VAL 75 2HG1 VAL 75 14.560 12.733 3.015 648 HG13 VAL 75 3HG1 VAL 75 14.689 11.975 1.425 649 HG21 VAL 75 1HG2 VAL 75 12.068 12.168 1.229 650 HG22 VAL 75 2HG2 VAL 75 12.052 12.900 2.836 651 HG23 VAL 75 3HG2 VAL 75 11.075 11.467 2.513 652 H GLY 76 H GLY 76 14.602 8.225 0.546 653 HA2 GLY 76 2HA GLY 76 15.998 6.829 2.741 654 HA3 GLY 76 3HA GLY 76 15.936 6.351 1.042 655 H SER 77 H SER 77 18.102 6.235 0.641 656 HA SER 77 HA SER 77 19.479 8.751 0.176 657 HB2 SER 77 2HB SER 77 20.150 8.152 2.531 658 HB3 SER 77 3HB SER 77 20.758 6.603 1.952 659 HG SER 77 HG SER 77 21.670 9.086 0.932 660 H LEU 78 H LEU 78 21.387 8.390 -1.218 661 HA LEU 78 HA LEU 78 21.065 6.479 -3.226 662 HB2 LEU 78 2HB LEU 78 23.391 7.127 -3.934 663 HB3 LEU 78 3HB LEU 78 22.275 8.458 -3.732 664 HG LEU 78 HG LEU 78 23.439 8.753 -1.360 665 HD11 LEU 78 1HD1 LEU 78 25.638 7.263 -2.820 666 HD12 LEU 78 2HD1 LEU 78 24.803 6.731 -1.362 667 HD13 LEU 78 3HD1 LEU 78 25.827 8.162 -1.310 668 HD21 LEU 78 1HD2 LEU 78 23.555 10.435 -3.130 669 HD22 LEU 78 2HD2 LEU 78 24.877 9.560 -3.906 670 HD23 LEU 78 3HD2 LEU 78 25.108 10.283 -2.310 671 H GLU 79 H GLU 79 21.952 4.446 -3.562 672 HA GLU 79 HA GLU 79 22.558 2.953 -1.155 673 HB2 GLU 79 2HB GLU 79 21.032 2.119 -3.001 674 HB3 GLU 79 3HB GLU 79 22.435 1.968 -4.049 675 HG2 GLU 79 2HG GLU 79 21.859 -0.211 -3.147 676 HG3 GLU 79 3HG GLU 79 23.411 0.299 -2.476 677 H HIS 80 H HIS 80 24.487 1.788 -0.743 678 HA HIS 80 HA HIS 80 26.978 2.869 -1.628 679 HB2 HIS 80 2HB HIS 80 26.445 0.162 -0.291 680 HB3 HIS 80 3HB HIS 80 28.023 0.930 -0.434 681 HD1 HIS 80 HD1 HIS 80 28.540 2.887 1.156 682 HD2 HIS 80 HD2 HIS 80 24.763 1.248 1.706 683 HE1 HIS 80 HE1 HIS 80 27.728 3.781 3.353 684 HE2 HIS 80 HE2 HIS 80 25.394 2.890 3.579 685 H HIS 81 H HIS 81 27.624 2.696 -3.696 686 HA HIS 81 HA HIS 81 26.284 1.082 -5.553 687 HB2 HIS 81 2HB HIS 81 27.923 1.955 -7.237 688 HB3 HIS 81 3HB HIS 81 27.134 3.201 -6.287 689 HD1 HIS 81 HD1 HIS 81 28.600 4.584 -4.679 690 HD2 HIS 81 HD2 HIS 81 30.740 1.845 -6.944 691 HE1 HIS 81 HE1 HIS 81 30.997 5.243 -4.437 692 HE2 HIS 81 HE2 HIS 81 32.280 3.468 -5.668 693 H HIS 82 H HIS 82 26.462 -0.996 -5.890 694 HA HIS 82 HA HIS 82 28.845 -2.550 -5.350 695 HB2 HIS 82 2HB HIS 82 27.553 -4.479 -6.155 696 HB3 HIS 82 3HB HIS 82 26.626 -3.561 -4.986 697 HD1 HIS 82 HD1 HIS 82 24.435 -2.531 -5.763 698 HD2 HIS 82 HD2 HIS 82 26.497 -4.451 -8.817 699 HE1 HIS 82 HE1 HIS 82 22.805 -2.722 -7.660 700 HE2 HIS 82 HE2 HIS 82 24.025 -4.043 -9.421 701 H HIS 83 H HIS 83 27.736 -0.641 -7.922 702 HA HIS 83 HA HIS 83 29.018 -1.642 -10.183 703 HB2 HIS 83 2HB HIS 83 27.559 0.308 -10.352 704 HB3 HIS 83 3HB HIS 83 28.573 1.229 -9.249 705 HD1 HIS 83 HD1 HIS 83 28.777 -0.296 -12.729 706 HD2 HIS 83 HD2 HIS 83 30.419 2.803 -10.515 707 HE1 HIS 83 HE1 HIS 83 30.256 0.955 -14.316 708 HE2 HIS 83 HE2 HIS 83 31.123 2.902 -12.984 709 H HIS 84 H HIS 84 31.048 -2.332 -10.237 710 HA HIS 84 HA HIS 84 33.228 -0.727 -9.064 711 HB2 HIS 84 2HB HIS 84 32.748 -3.714 -8.650 712 HB3 HIS 84 3HB HIS 84 34.298 -2.941 -8.337 713 HD1 HIS 84 HD1 HIS 84 31.528 -4.046 -6.501 714 HD2 HIS 84 HD2 HIS 84 33.712 -0.515 -6.476 715 HE1 HIS 84 HE1 HIS 84 31.069 -2.984 -4.274 716 HE2 HIS 84 HE2 HIS 84 32.525 -0.929 -4.236 717 H HIS 85 H HIS 85 34.143 -0.018 -10.854 718 HA HIS 85 HA HIS 85 35.639 -1.842 -12.513 719 HB2 HIS 85 2HB HIS 85 33.444 -1.706 -13.755 720 HB3 HIS 85 3HB HIS 85 33.615 0.041 -13.860 721 HD1 HIS 85 HD1 HIS 85 34.859 -3.161 -15.343 722 HD2 HIS 85 HD2 HIS 85 35.481 0.918 -15.828 723 HE1 HIS 85 HE1 HIS 85 36.132 -2.921 -17.488 724 HE2 HIS 85 HE2 HIS 85 36.671 -0.471 -17.633 Start of MODEL 7 1 H1 MET 1 1H MET 1 -21.467 -7.210 6.784 2 H2 MET 1 2H MET 1 -21.220 -6.140 5.502 3 H3 MET 1 3H MET 1 -22.212 -5.695 6.793 4 HA MET 1 HA MET 1 -20.359 -5.736 8.302 5 HB2 MET 1 2HB MET 1 -18.066 -6.041 7.505 6 HB3 MET 1 3HB MET 1 -19.017 -7.454 7.084 7 HG2 MET 1 2HG MET 1 -18.180 -5.239 5.188 8 HG3 MET 1 3HG MET 1 -17.491 -6.861 5.274 9 HE1 MET 1 1HE MET 1 -17.855 -7.143 2.645 10 HE2 MET 1 2HE MET 1 -18.556 -5.525 2.558 11 HE3 MET 1 3HE MET 1 -19.408 -6.893 1.845 12 HA PRO 2 HA PRO 2 -20.067 -1.302 7.205 13 HB2 PRO 2 2HB PRO 2 -17.568 -1.446 8.922 14 HB3 PRO 2 3HB PRO 2 -18.903 -0.272 8.974 15 HG2 PRO 2 2HG PRO 2 -18.748 -2.149 10.831 16 HG3 PRO 2 3HG PRO 2 -20.330 -1.734 10.126 17 HD2 PRO 2 2HD PRO 2 -18.572 -4.117 9.539 18 HD3 PRO 2 3HD PRO 2 -20.342 -4.034 9.703 19 H SER 3 H SER 3 -19.293 -0.753 5.229 20 HA SER 3 HA SER 3 -17.214 -2.043 3.856 21 HB2 SER 3 2HB SER 3 -19.089 -0.794 2.763 22 HB3 SER 3 3HB SER 3 -18.360 0.729 3.278 23 HG SER 3 HG SER 3 -17.102 0.588 1.601 24 H GLU 4 H GLU 4 -17.211 0.655 6.067 25 HA GLU 4 HA GLU 4 -14.803 1.934 5.720 26 HB2 GLU 4 2HB GLU 4 -16.506 2.534 7.413 27 HB3 GLU 4 3HB GLU 4 -16.151 1.073 8.321 28 HG2 GLU 4 2HG GLU 4 -15.121 2.898 9.476 29 HG3 GLU 4 3HG GLU 4 -13.834 1.958 8.724 30 H GLU 5 H GLU 5 -15.373 -1.104 7.522 31 HA GLU 5 HA GLU 5 -12.596 -1.605 8.123 32 HB2 GLU 5 2HB GLU 5 -15.050 -3.417 8.237 33 HB3 GLU 5 3HB GLU 5 -13.456 -3.860 8.851 34 HG2 GLU 5 2HG GLU 5 -13.562 -2.046 10.502 35 HG3 GLU 5 3HG GLU 5 -15.126 -1.538 9.858 36 H GLU 6 H GLU 6 -14.919 -2.664 5.701 37 HA GLU 6 HA GLU 6 -13.407 -4.772 4.581 38 HB2 GLU 6 2HB GLU 6 -15.925 -4.399 4.402 39 HB3 GLU 6 3HB GLU 6 -15.593 -3.158 3.199 40 HG2 GLU 6 2HG GLU 6 -16.223 -5.319 2.184 41 HG3 GLU 6 3HG GLU 6 -14.609 -4.793 1.704 42 H GLU 7 H GLU 7 -13.328 -1.309 4.139 43 HA GLU 7 HA GLU 7 -12.109 -0.889 1.701 44 HB2 GLU 7 2HB GLU 7 -11.508 0.458 4.368 45 HB3 GLU 7 3HB GLU 7 -10.870 1.026 2.833 46 HG2 GLU 7 2HG GLU 7 -13.141 1.510 2.048 47 HG3 GLU 7 3HG GLU 7 -13.798 0.910 3.564 48 H LYS 8 H LYS 8 -10.376 -1.343 4.807 49 HA LYS 8 HA LYS 8 -7.822 -1.307 3.579 50 HB2 LYS 8 2HB LYS 8 -8.598 -2.195 6.392 51 HB3 LYS 8 3HB LYS 8 -6.947 -1.954 5.837 52 HG2 LYS 8 2HG LYS 8 -7.439 -0.006 7.044 53 HG3 LYS 8 3HG LYS 8 -7.619 0.484 5.359 54 HD2 LYS 8 2HD LYS 8 -10.080 0.296 5.566 55 HD3 LYS 8 3HD LYS 8 -9.906 -0.254 7.234 56 HE2 LYS 8 2HE LYS 8 -8.869 1.934 7.814 57 HE3 LYS 8 3HE LYS 8 -9.133 2.476 6.155 58 HZ1 LYS 8 1HZ LYS 8 -10.885 3.277 7.565 59 HZ2 LYS 8 2HZ LYS 8 -11.233 1.719 8.114 60 HZ3 LYS 8 3HZ LYS 8 -11.528 2.125 6.505 61 H ARG 9 H ARG 9 -10.029 -3.902 4.390 62 HA ARG 9 HA ARG 9 -8.306 -6.130 4.273 63 HB2 ARG 9 2HB ARG 9 -11.233 -5.935 3.433 64 HB3 ARG 9 3HB ARG 9 -10.359 -7.442 3.712 65 HG2 ARG 9 2HG ARG 9 -10.064 -6.882 6.074 66 HG3 ARG 9 3HG ARG 9 -10.835 -5.313 5.827 67 HD2 ARG 9 2HD ARG 9 -12.945 -6.483 5.194 68 HD3 ARG 9 3HD ARG 9 -12.166 -8.033 5.536 69 HE ARG 9 HE ARG 9 -11.811 -6.803 7.864 70 HH11 ARG 9 1HH1 ARG 9 -14.760 -6.928 5.914 71 HH12 ARG 9 2HH1 ARG 9 -15.796 -6.810 7.303 72 HH21 ARG 9 1HH2 ARG 9 -13.182 -6.699 9.642 73 HH22 ARG 9 2HH2 ARG 9 -14.901 -6.681 9.414 74 H GLN 10 H GLN 10 -10.047 -4.380 1.727 75 HA GLN 10 HA GLN 10 -8.936 -5.876 -0.480 76 HB2 GLN 10 2HB GLN 10 -10.299 -3.147 -0.415 77 HB3 GLN 10 3HB GLN 10 -9.954 -4.077 -1.872 78 HG2 GLN 10 2HG GLN 10 -11.560 -5.772 -1.269 79 HG3 GLN 10 3HG GLN 10 -11.765 -5.084 0.345 80 HE21 GLN 10 1HE2 GLN 10 -12.888 -3.126 0.573 81 HE22 GLN 10 2HE2 GLN 10 -13.963 -2.548 -0.643 82 H VAL 11 H VAL 11 -8.245 -2.683 1.029 83 HA VAL 11 HA VAL 11 -6.670 -1.720 -1.117 84 HB VAL 11 HB VAL 11 -6.809 -0.643 1.742 85 HG11 VAL 11 1HG1 VAL 11 -6.070 1.508 0.770 86 HG12 VAL 11 2HG1 VAL 11 -5.897 0.738 -0.809 87 HG13 VAL 11 3HG1 VAL 11 -4.856 0.249 0.525 88 HG21 VAL 11 1HG2 VAL 11 -8.491 0.926 0.893 89 HG22 VAL 11 2HG2 VAL 11 -9.015 -0.737 0.642 90 HG23 VAL 11 3HG2 VAL 11 -8.384 0.190 -0.710 91 H LYS 12 H LYS 12 -5.715 -3.065 2.093 92 HA LYS 12 HA LYS 12 -2.923 -2.587 1.796 93 HB2 LYS 12 2HB LYS 12 -4.190 -4.796 3.468 94 HB3 LYS 12 3HB LYS 12 -2.578 -4.111 3.664 95 HG2 LYS 12 2HG LYS 12 -3.657 -1.923 4.271 96 HG3 LYS 12 3HG LYS 12 -5.223 -2.734 4.227 97 HD2 LYS 12 2HD LYS 12 -2.907 -3.252 6.116 98 HD3 LYS 12 3HD LYS 12 -4.517 -2.664 6.523 99 HE2 LYS 12 2HE LYS 12 -3.836 -5.456 5.527 100 HE3 LYS 12 3HE LYS 12 -4.232 -5.013 7.183 101 HZ1 LYS 12 1HZ LYS 12 -6.431 -4.348 6.426 102 HZ2 LYS 12 2HZ LYS 12 -6.119 -5.971 6.094 103 HZ3 LYS 12 3HZ LYS 12 -6.056 -4.833 4.851 104 H GLN 13 H GLN 13 -5.061 -5.171 0.818 105 HA GLN 13 HA GLN 13 -3.080 -7.091 0.077 106 HB2 GLN 13 2HB GLN 13 -5.371 -7.781 0.599 107 HB3 GLN 13 3HB GLN 13 -6.018 -6.786 -0.697 108 HG2 GLN 13 2HG GLN 13 -4.854 -8.250 -2.348 109 HG3 GLN 13 3HG GLN 13 -4.296 -9.261 -1.017 110 HE21 GLN 13 1HE2 GLN 13 -7.534 -7.824 -1.160 111 HE22 GLN 13 2HE2 GLN 13 -8.369 -9.317 -1.373 112 H VAL 14 H VAL 14 -4.950 -4.638 -1.741 113 HA VAL 14 HA VAL 14 -3.820 -5.132 -4.303 114 HB VAL 14 HB VAL 14 -5.028 -2.551 -3.173 115 HG11 VAL 14 1HG1 VAL 14 -5.397 -1.848 -5.512 116 HG12 VAL 14 2HG1 VAL 14 -4.536 -3.277 -6.088 117 HG13 VAL 14 3HG1 VAL 14 -3.675 -2.042 -5.166 118 HG21 VAL 14 1HG2 VAL 14 -7.111 -3.227 -4.320 119 HG22 VAL 14 2HG2 VAL 14 -6.624 -4.426 -3.124 120 HG23 VAL 14 3HG2 VAL 14 -6.345 -4.734 -4.838 121 H ALA 15 H ALA 15 -2.900 -3.103 -1.580 122 HA ALA 15 HA ALA 15 -0.906 -1.525 -2.818 123 HB1 ALA 15 1HB ALA 15 -2.092 -0.880 -0.755 124 HB2 ALA 15 2HB ALA 15 -0.341 -0.849 -0.532 125 HB3 ALA 15 3HB ALA 15 -1.297 -2.186 0.121 126 H LYS 16 H LYS 16 -0.739 -4.514 -0.854 127 HA LYS 16 HA LYS 16 2.100 -4.700 -0.829 128 HB2 LYS 16 2HB LYS 16 1.830 -6.940 0.083 129 HB3 LYS 16 3HB LYS 16 0.676 -5.867 0.853 130 HG2 LYS 16 2HG LYS 16 -1.127 -6.770 -0.500 131 HG3 LYS 16 3HG LYS 16 -0.003 -7.776 -1.404 132 HD2 LYS 16 2HD LYS 16 -0.582 -8.044 1.578 133 HD3 LYS 16 3HD LYS 16 -1.284 -9.046 0.307 134 HE2 LYS 16 2HE LYS 16 1.025 -9.802 -0.315 135 HE3 LYS 16 3HE LYS 16 1.656 -8.884 1.056 136 HZ1 LYS 16 1HZ LYS 16 1.354 -11.216 1.612 137 HZ2 LYS 16 2HZ LYS 16 -0.290 -11.128 1.235 138 HZ3 LYS 16 3HZ LYS 16 0.324 -10.249 2.538 139 H GLU 17 H GLU 17 -0.422 -5.915 -3.005 140 HA GLU 17 HA GLU 17 1.139 -7.637 -4.577 141 HB2 GLU 17 2HB GLU 17 -1.355 -6.024 -5.230 142 HB3 GLU 17 3HB GLU 17 -0.602 -7.088 -6.415 143 HG2 GLU 17 2HG GLU 17 -1.698 -7.938 -3.726 144 HG3 GLU 17 3HG GLU 17 -2.494 -8.162 -5.278 145 H LYS 18 H LYS 18 0.490 -4.141 -4.928 146 HA LYS 18 HA LYS 18 1.915 -3.813 -7.370 147 HB2 LYS 18 2HB LYS 18 1.312 -1.696 -5.267 148 HB3 LYS 18 3HB LYS 18 1.727 -1.405 -6.952 149 HG2 LYS 18 2HG LYS 18 -0.817 -2.600 -5.852 150 HG3 LYS 18 3HG LYS 18 -0.623 -1.073 -6.706 151 HD2 LYS 18 2HD LYS 18 -0.049 -2.331 -8.783 152 HD3 LYS 18 3HD LYS 18 -0.277 -3.853 -7.912 153 HE2 LYS 18 2HE LYS 18 -2.656 -3.193 -7.483 154 HE3 LYS 18 3HE LYS 18 -2.403 -1.752 -8.472 155 HZ1 LYS 18 1HZ LYS 18 -1.783 -3.305 -10.316 156 HZ2 LYS 18 2HZ LYS 18 -3.392 -3.389 -9.829 157 HZ3 LYS 18 3HZ LYS 18 -2.311 -4.585 -9.341 158 H LEU 19 H LEU 19 2.871 -3.697 -3.987 159 HA LEU 19 HA LEU 19 5.530 -2.730 -4.353 160 HB2 LEU 19 2HB LEU 19 4.169 -4.285 -2.127 161 HB3 LEU 19 3HB LEU 19 5.859 -3.817 -2.029 162 HG LEU 19 HG LEU 19 3.475 -1.933 -2.182 163 HD11 LEU 19 1HD1 LEU 19 3.804 -2.955 0.020 164 HD12 LEU 19 2HD1 LEU 19 4.157 -1.230 0.053 165 HD13 LEU 19 3HD1 LEU 19 5.481 -2.401 0.043 166 HD21 LEU 19 1HD2 LEU 19 5.325 -1.005 -3.474 167 HD22 LEU 19 2HD2 LEU 19 6.429 -1.251 -2.118 168 HD23 LEU 19 3HD2 LEU 19 5.097 -0.101 -1.978 169 H LEU 20 H LEU 20 4.091 -5.952 -4.361 170 HA LEU 20 HA LEU 20 6.563 -7.400 -4.655 171 HB2 LEU 20 2HB LEU 20 3.645 -8.190 -5.038 172 HB3 LEU 20 3HB LEU 20 4.976 -9.330 -5.173 173 HG LEU 20 HG LEU 20 4.499 -7.736 -2.619 174 HD11 LEU 20 1HD1 LEU 20 2.439 -8.982 -3.059 175 HD12 LEU 20 2HD1 LEU 20 3.296 -9.650 -1.673 176 HD13 LEU 20 3HD1 LEU 20 3.356 -10.480 -3.231 177 HD21 LEU 20 1HD2 LEU 20 6.007 -10.322 -3.130 178 HD22 LEU 20 2HD2 LEU 20 5.811 -9.524 -1.565 179 HD23 LEU 20 3HD2 LEU 20 6.720 -8.730 -2.848 180 H GLU 21 H GLU 21 4.318 -5.808 -6.829 181 HA GLU 21 HA GLU 21 5.222 -6.930 -9.296 182 HB2 GLU 21 2HB GLU 21 3.943 -4.222 -8.702 183 HB3 GLU 21 3HB GLU 21 4.248 -4.820 -10.329 184 HG2 GLU 21 2HG GLU 21 2.467 -6.223 -8.325 185 HG3 GLU 21 3HG GLU 21 1.878 -5.059 -9.500 186 H GLN 22 H GLN 22 6.258 -4.209 -7.286 187 HA GLN 22 HA GLN 22 8.323 -3.277 -9.062 188 HB2 GLN 22 2HB GLN 22 7.815 -2.730 -6.106 189 HB3 GLN 22 3HB GLN 22 9.065 -1.936 -7.058 190 HG2 GLN 22 2HG GLN 22 7.313 -0.988 -8.536 191 HG3 GLN 22 3HG GLN 22 6.077 -1.734 -7.524 192 HE21 GLN 22 1HE2 GLN 22 7.452 -1.192 -4.997 193 HE22 GLN 22 2HE2 GLN 22 7.314 0.505 -4.722 194 H SER 23 H SER 23 8.193 -5.402 -6.214 195 HA SER 23 HA SER 23 10.852 -6.457 -6.772 196 HB2 SER 23 2HB SER 23 11.272 -4.484 -5.288 197 HB3 SER 23 3HB SER 23 10.223 -5.196 -4.060 198 HG SER 23 HG SER 23 11.904 -6.267 -3.430 199 HA PRO 24 HA PRO 24 8.263 -9.919 -5.116 200 HB2 PRO 24 2HB PRO 24 8.957 -11.782 -6.950 201 HB3 PRO 24 3HB PRO 24 7.800 -10.494 -7.353 202 HG2 PRO 24 2HG PRO 24 10.721 -10.670 -8.031 203 HG3 PRO 24 3HG PRO 24 9.358 -10.174 -9.059 204 HD2 PRO 24 2HD PRO 24 11.027 -8.383 -7.757 205 HD3 PRO 24 3HD PRO 24 9.360 -8.013 -8.247 206 H ASN 25 H ASN 25 11.503 -9.158 -5.287 207 HA ASN 25 HA ASN 25 12.699 -11.590 -4.229 208 HB2 ASN 25 2HB ASN 25 13.771 -8.757 -4.637 209 HB3 ASN 25 3HB ASN 25 14.754 -10.113 -4.095 210 HD21 ASN 25 1HD2 ASN 25 15.304 -11.735 -5.560 211 HD22 ASN 25 2HD2 ASN 25 15.126 -11.538 -7.267 212 H SER 26 H SER 26 10.738 -9.334 -2.855 213 HA SER 26 HA SER 26 12.169 -9.221 -0.262 214 HB2 SER 26 2HB SER 26 11.211 -6.888 -0.067 215 HB3 SER 26 3HB SER 26 12.411 -7.078 -1.346 216 HG SER 26 HG SER 26 9.641 -7.346 -1.872 217 H LYS 27 H LYS 27 10.977 -9.570 1.541 218 HA LYS 27 HA LYS 27 8.194 -10.295 1.437 219 HB2 LYS 27 2HB LYS 27 9.759 -11.333 3.049 220 HB3 LYS 27 3HB LYS 27 10.032 -9.773 3.811 221 HG2 LYS 27 2HG LYS 27 8.526 -11.035 5.203 222 HG3 LYS 27 3HG LYS 27 7.602 -9.726 4.462 223 HD2 LYS 27 2HD LYS 27 6.290 -11.787 4.418 224 HD3 LYS 27 3HD LYS 27 6.722 -11.339 2.766 225 HE2 LYS 27 2HE LYS 27 8.567 -13.005 2.819 226 HE3 LYS 27 3HE LYS 27 8.110 -13.451 4.462 227 HZ1 LYS 27 1HZ LYS 27 5.970 -14.175 3.613 228 HZ2 LYS 27 2HZ LYS 27 7.231 -15.005 2.863 229 HZ3 LYS 27 3HZ LYS 27 6.426 -13.772 2.041 230 H VAL 28 H VAL 28 6.462 -9.035 1.903 231 HA VAL 28 HA VAL 28 6.843 -6.190 2.665 232 HB VAL 28 HB VAL 28 4.508 -7.475 1.151 233 HG11 VAL 28 1HG1 VAL 28 5.081 -4.544 1.716 234 HG12 VAL 28 2HG1 VAL 28 3.807 -5.516 2.456 235 HG13 VAL 28 3HG1 VAL 28 3.754 -5.162 0.729 236 HG21 VAL 28 1HG2 VAL 28 5.345 -6.301 -0.863 237 HG22 VAL 28 2HG2 VAL 28 6.530 -7.460 -0.254 238 HG23 VAL 28 3HG2 VAL 28 6.749 -5.734 0.047 239 H GLN 29 H GLN 29 5.856 -5.516 4.540 240 HA GLN 29 HA GLN 29 3.798 -7.219 5.855 241 HB2 GLN 29 2HB GLN 29 6.079 -5.704 7.226 242 HB3 GLN 29 3HB GLN 29 4.767 -6.527 8.061 243 HG2 GLN 29 2HG GLN 29 6.898 -7.851 6.361 244 HG3 GLN 29 3HG GLN 29 6.837 -7.836 8.121 245 HE21 GLN 29 1HE2 GLN 29 3.917 -8.326 8.218 246 HE22 GLN 29 2HE2 GLN 29 3.714 -9.981 7.777 247 H VAL 30 H VAL 30 2.148 -6.022 6.980 248 HA VAL 30 HA VAL 30 1.685 -3.323 6.048 249 HB VAL 30 HB VAL 30 0.115 -4.970 8.089 250 HG11 VAL 30 1HG1 VAL 30 -1.735 -3.382 7.700 251 HG12 VAL 30 2HG1 VAL 30 -0.709 -2.422 6.634 252 HG13 VAL 30 3HG1 VAL 30 -0.320 -2.551 8.351 253 HG21 VAL 30 1HG2 VAL 30 -1.453 -5.434 6.231 254 HG22 VAL 30 2HG2 VAL 30 0.159 -6.055 5.877 255 HG23 VAL 30 3HG2 VAL 30 -0.398 -4.564 5.113 256 H ARG 31 H ARG 31 2.788 -1.683 6.917 257 HA ARG 31 HA ARG 31 3.890 -1.692 9.610 258 HB2 ARG 31 2HB ARG 31 5.209 -0.759 7.769 259 HB3 ARG 31 3HB ARG 31 3.920 0.362 7.353 260 HG2 ARG 31 2HG ARG 31 5.652 1.594 8.476 261 HG3 ARG 31 3HG ARG 31 4.267 1.504 9.567 262 HD2 ARG 31 2HD ARG 31 5.403 -0.412 10.740 263 HD3 ARG 31 3HD ARG 31 6.811 -0.157 9.701 264 HE ARG 31 HE ARG 31 5.834 2.082 11.335 265 HH11 ARG 31 1HH1 ARG 31 8.327 -0.353 10.819 266 HH12 ARG 31 2HH1 ARG 31 9.456 0.403 11.896 267 HH21 ARG 31 1HH2 ARG 31 7.316 3.052 12.747 268 HH22 ARG 31 2HH2 ARG 31 8.877 2.336 12.989 269 H ARG 32 H ARG 32 1.719 0.448 7.795 270 HA ARG 32 HA ARG 32 0.036 1.039 10.100 271 HB2 ARG 32 2HB ARG 32 1.831 3.077 8.729 272 HB3 ARG 32 3HB ARG 32 0.302 3.594 9.415 273 HG2 ARG 32 2HG ARG 32 2.398 2.168 11.078 274 HG3 ARG 32 3HG ARG 32 2.401 3.919 10.843 275 HD2 ARG 32 2HD ARG 32 0.128 2.302 12.056 276 HD3 ARG 32 3HD ARG 32 1.279 3.304 12.949 277 HE ARG 32 HE ARG 32 0.311 5.145 11.332 278 HH11 ARG 32 1HH1 ARG 32 -1.520 2.676 13.058 279 HH12 ARG 32 2HH1 ARG 32 -2.958 3.642 13.149 280 HH21 ARG 32 1HH2 ARG 32 -1.599 6.386 11.439 281 HH22 ARG 32 2HH2 ARG 32 -3.004 5.741 12.232 282 H VAL 33 H VAL 33 -1.884 2.345 9.390 283 HA VAL 33 HA VAL 33 -2.334 2.455 6.468 284 HB VAL 33 HB VAL 33 -4.473 1.531 8.469 285 HG11 VAL 33 1HG1 VAL 33 -4.615 1.834 5.441 286 HG12 VAL 33 2HG1 VAL 33 -5.432 2.849 6.633 287 HG13 VAL 33 3HG1 VAL 33 -5.879 1.156 6.467 288 HG21 VAL 33 1HG2 VAL 33 -2.846 -0.279 8.067 289 HG22 VAL 33 2HG2 VAL 33 -3.069 -0.111 6.324 290 HG23 VAL 33 3HG2 VAL 33 -4.406 -0.665 7.335 291 H GLN 34 H GLN 34 -3.352 4.329 5.809 292 HA GLN 34 HA GLN 34 -4.282 6.256 7.877 293 HB2 GLN 34 2HB GLN 34 -2.028 6.814 6.823 294 HB3 GLN 34 3HB GLN 34 -2.829 6.918 5.261 295 HG2 GLN 34 2HG GLN 34 -2.534 9.148 6.095 296 HG3 GLN 34 3HG GLN 34 -4.254 8.773 6.181 297 HE21 GLN 34 1HE2 GLN 34 -1.817 7.632 8.502 298 HE22 GLN 34 2HE2 GLN 34 -2.409 8.561 9.832 299 H LYS 35 H LYS 35 -6.521 6.232 7.591 300 HA LYS 35 HA LYS 35 -7.648 6.152 4.855 301 HB2 LYS 35 2HB LYS 35 -8.577 4.612 6.640 302 HB3 LYS 35 3HB LYS 35 -9.101 6.015 7.554 303 HG2 LYS 35 2HG LYS 35 -10.096 5.543 4.727 304 HG3 LYS 35 3HG LYS 35 -10.837 4.722 6.100 305 HD2 LYS 35 2HD LYS 35 -11.503 6.828 7.091 306 HD3 LYS 35 3HD LYS 35 -10.590 7.746 5.894 307 HE2 LYS 35 2HE LYS 35 -12.983 7.786 5.395 308 HE3 LYS 35 3HE LYS 35 -12.089 6.960 4.121 309 HZ1 LYS 35 1HZ LYS 35 -13.551 5.590 6.309 310 HZ2 LYS 35 2HZ LYS 35 -12.811 4.859 4.984 311 HZ3 LYS 35 3HZ LYS 35 -14.168 5.830 4.757 312 H GLN 36 H GLN 36 -7.782 8.120 3.930 313 HA GLN 36 HA GLN 36 -8.943 10.361 5.488 314 HB2 GLN 36 2HB GLN 36 -6.621 10.549 3.510 315 HB3 GLN 36 3HB GLN 36 -7.468 11.941 4.181 316 HG2 GLN 36 2HG GLN 36 -5.893 9.895 5.780 317 HG3 GLN 36 3HG GLN 36 -5.329 11.508 5.340 318 HE21 GLN 36 1HE2 GLN 36 -5.963 10.106 7.973 319 HE22 GLN 36 2HE2 GLN 36 -6.947 11.242 8.822 320 H GLY 37 H GLY 37 -10.945 10.222 4.682 321 HA2 GLY 37 2HA GLY 37 -12.715 10.507 3.283 322 HA3 GLY 37 3HA GLY 37 -11.603 11.302 2.182 323 H ASN 38 H ASN 38 -11.051 10.281 0.350 324 HA ASN 38 HA ASN 38 -12.008 7.539 -0.170 325 HB2 ASN 38 2HB ASN 38 -10.893 9.660 -2.068 326 HB3 ASN 38 3HB ASN 38 -11.474 8.067 -2.554 327 HD21 ASN 38 1HD2 ASN 38 -13.716 7.651 -2.487 328 HD22 ASN 38 2HD2 ASN 38 -14.874 8.926 -2.431 329 H THR 39 H THR 39 -9.079 9.511 -0.001 330 HA THR 39 HA THR 39 -7.372 7.493 -1.180 331 HB THR 39 HB THR 39 -6.497 10.096 0.149 332 HG1 THR 39 HG1 THR 39 -8.113 10.231 -1.673 333 HG21 THR 39 1HG2 THR 39 -4.548 9.910 -1.361 334 HG22 THR 39 2HG2 THR 39 -5.181 8.405 -2.028 335 HG23 THR 39 3HG2 THR 39 -4.657 8.471 -0.343 336 H ILE 40 H ILE 40 -7.441 5.743 0.239 337 HA ILE 40 HA ILE 40 -6.335 6.004 2.920 338 HB ILE 40 HB ILE 40 -6.964 3.489 1.310 339 HG12 ILE 40 2HG1 ILE 40 -8.596 5.019 3.383 340 HG13 ILE 40 3HG1 ILE 40 -9.008 4.750 1.693 341 HG21 ILE 40 1HG2 ILE 40 -6.825 2.297 3.463 342 HG22 ILE 40 2HG2 ILE 40 -6.393 3.797 4.284 343 HG23 ILE 40 3HG2 ILE 40 -5.291 3.093 3.098 344 HD11 ILE 40 1HD1 ILE 40 -8.888 2.659 3.856 345 HD12 ILE 40 2HD1 ILE 40 -9.243 2.353 2.152 346 HD13 ILE 40 3HD1 ILE 40 -10.327 3.353 3.115 347 H ARG 41 H ARG 41 -4.230 6.551 2.939 348 HA ARG 41 HA ARG 41 -2.288 5.405 1.081 349 HB2 ARG 41 2HB ARG 41 -1.711 7.180 3.498 350 HB3 ARG 41 3HB ARG 41 -0.672 6.873 2.114 351 HG2 ARG 41 2HG ARG 41 -2.384 8.096 0.693 352 HG3 ARG 41 3HG ARG 41 -3.187 8.554 2.198 353 HD2 ARG 41 2HD ARG 41 -0.366 9.283 1.328 354 HD3 ARG 41 3HD ARG 41 -1.741 10.375 1.480 355 HE ARG 41 HE ARG 41 -1.606 9.643 3.973 356 HH11 ARG 41 1HH1 ARG 41 1.191 10.221 1.896 357 HH12 ARG 41 2HH1 ARG 41 2.207 10.698 3.216 358 HH21 ARG 41 1HH2 ARG 41 -0.237 10.297 5.673 359 HH22 ARG 41 2HH2 ARG 41 1.407 10.743 5.338 360 H VAL 42 H VAL 42 -2.203 3.191 1.613 361 HA VAL 42 HA VAL 42 -1.829 2.349 4.377 362 HB VAL 42 HB VAL 42 -1.602 0.638 1.854 363 HG11 VAL 42 1HG1 VAL 42 -1.894 -1.283 3.392 364 HG12 VAL 42 2HG1 VAL 42 -1.897 -0.181 4.774 365 HG13 VAL 42 3HG1 VAL 42 -0.442 -0.360 3.792 366 HG21 VAL 42 1HG2 VAL 42 -3.850 1.564 2.018 367 HG22 VAL 42 2HG2 VAL 42 -3.972 1.050 3.708 368 HG23 VAL 42 3HG2 VAL 42 -3.881 -0.157 2.421 369 H GLU 43 H GLU 43 0.046 2.398 5.324 370 HA GLU 43 HA GLU 43 2.576 2.608 3.877 371 HB2 GLU 43 2HB GLU 43 2.009 2.630 6.873 372 HB3 GLU 43 3HB GLU 43 3.526 3.072 6.096 373 HG2 GLU 43 2HG GLU 43 2.467 5.029 5.063 374 HG3 GLU 43 3HG GLU 43 0.903 4.555 5.724 375 H LEU 44 H LEU 44 3.608 0.761 3.321 376 HA LEU 44 HA LEU 44 3.513 -1.572 5.163 377 HB2 LEU 44 2HB LEU 44 3.881 -1.903 2.162 378 HB3 LEU 44 3HB LEU 44 3.549 -3.126 3.367 379 HG LEU 44 HG LEU 44 1.243 -1.768 3.641 380 HD11 LEU 44 1HD1 LEU 44 1.820 0.028 2.096 381 HD12 LEU 44 2HD1 LEU 44 0.422 -0.872 1.514 382 HD13 LEU 44 3HD1 LEU 44 2.007 -1.132 0.778 383 HD21 LEU 44 1HD2 LEU 44 0.154 -3.290 2.054 384 HD22 LEU 44 2HD2 LEU 44 1.366 -4.131 3.019 385 HD23 LEU 44 3HD2 LEU 44 1.724 -3.692 1.348 386 H GLU 45 H GLU 45 5.493 -3.018 4.766 387 HA GLU 45 HA GLU 45 7.890 -1.299 4.620 388 HB2 GLU 45 2HB GLU 45 7.027 -1.646 6.965 389 HB3 GLU 45 3HB GLU 45 7.262 -3.378 6.771 390 HG2 GLU 45 2HG GLU 45 9.681 -3.078 6.594 391 HG3 GLU 45 3HG GLU 45 9.498 -1.325 6.596 392 H LEU 46 H LEU 46 9.150 -2.062 3.109 393 HA LEU 46 HA LEU 46 9.166 -4.920 2.316 394 HB2 LEU 46 2HB LEU 46 7.891 -3.441 0.786 395 HB3 LEU 46 3HB LEU 46 9.260 -2.390 0.625 396 HG LEU 46 HG LEU 46 9.439 -5.261 -0.349 397 HD11 LEU 46 1HD1 LEU 46 8.353 -2.910 -1.937 398 HD12 LEU 46 2HD1 LEU 46 7.438 -4.324 -1.407 399 HD13 LEU 46 3HD1 LEU 46 8.734 -4.512 -2.583 400 HD21 LEU 46 1HD2 LEU 46 11.551 -4.001 -0.276 401 HD22 LEU 46 2HD2 LEU 46 10.839 -2.711 -1.244 402 HD23 LEU 46 3HD2 LEU 46 11.074 -4.316 -1.944 403 H ARG 47 H ARG 47 11.241 -5.809 2.002 404 HA ARG 47 HA ARG 47 13.529 -4.077 2.777 405 HB2 ARG 47 2HB ARG 47 13.500 -7.126 2.622 406 HB3 ARG 47 3HB ARG 47 14.700 -6.105 3.407 407 HG2 ARG 47 2HG ARG 47 13.093 -5.493 5.142 408 HG3 ARG 47 3HG ARG 47 11.820 -6.403 4.321 409 HD2 ARG 47 2HD ARG 47 14.320 -7.520 5.642 410 HD3 ARG 47 3HD ARG 47 12.645 -7.738 6.157 411 HE ARG 47 HE ARG 47 13.683 -8.820 3.597 412 HH11 ARG 47 1HH1 ARG 47 11.868 -9.347 6.583 413 HH12 ARG 47 2HH1 ARG 47 11.408 -10.961 6.144 414 HH21 ARG 47 1HH2 ARG 47 13.089 -10.941 3.075 415 HH22 ARG 47 2HH2 ARG 47 12.098 -11.857 4.168 416 H THR 48 H THR 48 14.149 -3.127 0.849 417 HA THR 48 HA THR 48 14.403 -4.614 -1.629 418 HB THR 48 HB THR 48 15.405 -1.781 -1.084 419 HG1 THR 48 HG1 THR 48 13.421 -1.087 -1.169 420 HG21 THR 48 1HG2 THR 48 14.488 -3.154 -3.647 421 HG22 THR 48 2HG2 THR 48 16.158 -2.756 -3.232 422 HG23 THR 48 3HG2 THR 48 14.987 -1.466 -3.508 423 H ASN 49 H ASN 49 16.032 -6.053 -1.671 424 HA ASN 49 HA ASN 49 18.074 -7.025 -1.704 425 HB2 ASN 49 2HB ASN 49 19.123 -4.177 -1.997 426 HB3 ASN 49 3HB ASN 49 19.993 -5.644 -2.424 427 HD21 ASN 49 1HD2 ASN 49 19.370 -3.406 -4.138 428 HD22 ASN 49 2HD2 ASN 49 18.396 -4.016 -5.428 429 H GLY 50 H GLY 50 16.982 -6.483 0.867 430 HA2 GLY 50 2HA GLY 50 17.816 -7.153 2.970 431 HA3 GLY 50 3HA GLY 50 19.419 -6.592 2.525 432 H LYS 51 H LYS 51 17.899 -4.005 1.539 433 HA LYS 51 HA LYS 51 18.107 -2.588 4.081 434 HB2 LYS 51 2HB LYS 51 17.505 -1.581 1.253 435 HB3 LYS 51 3HB LYS 51 17.704 -0.540 2.661 436 HG2 LYS 51 2HG LYS 51 19.830 -2.327 1.434 437 HG3 LYS 51 3HG LYS 51 19.741 -0.571 1.314 438 HD2 LYS 51 2HD LYS 51 20.199 -2.168 3.867 439 HD3 LYS 51 3HD LYS 51 21.421 -1.258 2.980 440 HE2 LYS 51 2HE LYS 51 20.267 0.843 3.487 441 HE3 LYS 51 3HE LYS 51 18.965 -0.032 4.291 442 HZ1 LYS 51 1HZ LYS 51 20.538 -0.787 5.948 443 HZ2 LYS 51 2HZ LYS 51 20.549 0.898 5.865 444 HZ3 LYS 51 3HZ LYS 51 21.803 0.011 5.164 445 H LYS 52 H LYS 52 16.384 -2.247 5.375 446 HA LYS 52 HA LYS 52 13.718 -3.028 4.477 447 HB2 LYS 52 2HB LYS 52 14.741 -3.762 6.698 448 HB3 LYS 52 3HB LYS 52 14.572 -2.100 7.257 449 HG2 LYS 52 2HG LYS 52 12.077 -2.303 6.807 450 HG3 LYS 52 3HG LYS 52 12.351 -4.014 6.470 451 HD2 LYS 52 2HD LYS 52 11.576 -3.787 8.759 452 HD3 LYS 52 3HD LYS 52 13.268 -4.290 8.787 453 HE2 LYS 52 2HE LYS 52 13.969 -1.997 9.291 454 HE3 LYS 52 3HE LYS 52 12.304 -1.427 9.149 455 HZ1 LYS 52 1HZ LYS 52 13.268 -3.377 11.177 456 HZ2 LYS 52 2HZ LYS 52 11.704 -2.748 11.057 457 HZ3 LYS 52 3HZ LYS 52 12.996 -1.737 11.454 458 H GLU 53 H GLU 53 12.864 -1.453 3.262 459 HA GLU 53 HA GLU 53 12.943 1.372 4.139 460 HB2 GLU 53 2HB GLU 53 12.465 0.216 1.357 461 HB3 GLU 53 3HB GLU 53 12.536 1.931 1.763 462 HG2 GLU 53 2HG GLU 53 14.908 1.574 2.543 463 HG3 GLU 53 3HG GLU 53 14.807 -0.078 1.939 464 H ASN 54 H ASN 54 11.104 2.422 4.541 465 HA ASN 54 HA ASN 54 8.582 0.966 4.607 466 HB2 ASN 54 2HB ASN 54 9.437 3.679 5.706 467 HB3 ASN 54 3HB ASN 54 7.800 3.044 5.868 468 HD21 ASN 54 1HD2 ASN 54 7.454 1.211 7.189 469 HD22 ASN 54 2HD2 ASN 54 8.603 0.725 8.388 470 H TYR 55 H TYR 55 7.198 1.089 2.985 471 HA TYR 55 HA TYR 55 7.161 3.372 1.109 472 HB2 TYR 55 2HB TYR 55 5.999 0.550 0.878 473 HB3 TYR 55 3HB TYR 55 5.780 1.809 -0.329 474 HD1 TYR 55 HD1 TYR 55 7.272 1.870 -2.162 475 HD2 TYR 55 HD2 TYR 55 8.540 -0.038 1.444 476 HE1 TYR 55 HE1 TYR 55 9.317 1.092 -3.286 477 HE2 TYR 55 HE2 TYR 55 10.566 -0.825 0.320 478 HH TYR 55 HH TYR 55 11.417 -1.246 -1.928 479 H THR 56 H THR 56 5.121 4.238 0.494 480 HA THR 56 HA THR 56 2.755 3.611 2.129 481 HB THR 56 HB THR 56 3.748 6.413 1.389 482 HG1 THR 56 HG1 THR 56 3.919 4.861 3.717 483 HG21 THR 56 1HG2 THR 56 1.843 7.226 2.769 484 HG22 THR 56 2HG2 THR 56 1.258 5.566 2.919 485 HG23 THR 56 3HG2 THR 56 1.298 6.349 1.337 486 H VAL 57 H VAL 57 1.582 2.603 0.571 487 HA VAL 57 HA VAL 57 1.540 3.573 -2.191 488 HB VAL 57 HB VAL 57 0.100 1.166 -0.956 489 HG11 VAL 57 1HG1 VAL 57 0.598 1.844 -3.881 490 HG12 VAL 57 2HG1 VAL 57 -0.954 1.950 -3.046 491 HG13 VAL 57 3HG1 VAL 57 -0.182 0.380 -3.277 492 HG21 VAL 57 1HG2 VAL 57 2.548 0.911 -0.770 493 HG22 VAL 57 2HG2 VAL 57 2.718 1.203 -2.503 494 HG23 VAL 57 3HG2 VAL 57 1.871 -0.238 -1.930 495 H GLU 58 H GLU 58 0.310 5.307 -2.383 496 HA GLU 58 HA GLU 58 -2.028 5.890 -0.817 497 HB2 GLU 58 2HB GLU 58 -0.926 7.289 -3.299 498 HB3 GLU 58 3HB GLU 58 -2.169 7.922 -2.221 499 HG2 GLU 58 2HG GLU 58 -0.408 7.835 -0.360 500 HG3 GLU 58 3HG GLU 58 0.768 7.496 -1.627 501 H VAL 59 H VAL 59 -3.882 4.830 -1.210 502 HA VAL 59 HA VAL 59 -4.706 4.205 -4.002 503 HB VAL 59 HB VAL 59 -5.428 2.566 -1.523 504 HG11 VAL 59 1HG1 VAL 59 -5.769 1.941 -4.477 505 HG12 VAL 59 2HG1 VAL 59 -7.055 2.399 -3.357 506 HG13 VAL 59 3HG1 VAL 59 -6.199 0.872 -3.137 507 HG21 VAL 59 1HG2 VAL 59 -3.282 1.911 -3.578 508 HG22 VAL 59 2HG2 VAL 59 -3.829 0.846 -2.276 509 HG23 VAL 59 3HG2 VAL 59 -3.007 2.358 -1.888 510 H GLU 60 H GLU 60 -6.558 5.196 -4.553 511 HA GLU 60 HA GLU 60 -8.258 6.504 -2.508 512 HB2 GLU 60 2HB GLU 60 -7.151 8.006 -4.076 513 HB3 GLU 60 3HB GLU 60 -7.733 7.080 -5.453 514 HG2 GLU 60 2HG GLU 60 -10.107 7.739 -4.703 515 HG3 GLU 60 3HG GLU 60 -9.331 8.879 -3.601 516 H ARG 61 H ARG 61 -10.505 6.161 -2.512 517 HA ARG 61 HA ARG 61 -11.641 3.953 -3.976 518 HB2 ARG 61 2HB ARG 61 -12.491 4.542 -1.734 519 HB3 ARG 61 3HB ARG 61 -12.989 6.129 -2.307 520 HG2 ARG 61 2HG ARG 61 -14.989 4.869 -2.225 521 HG3 ARG 61 3HG ARG 61 -14.559 4.882 -3.934 522 HD2 ARG 61 2HD ARG 61 -15.121 2.651 -3.629 523 HD3 ARG 61 3HD ARG 61 -13.386 2.568 -3.337 524 HE ARG 61 HE ARG 61 -14.538 3.026 -0.876 525 HH11 ARG 61 1HH1 ARG 61 -14.811 0.475 -3.291 526 HH12 ARG 61 2HH1 ARG 61 -15.206 -0.746 -2.129 527 HH21 ARG 61 1HH2 ARG 61 -15.071 1.412 0.632 528 HH22 ARG 61 2HH2 ARG 61 -15.356 -0.214 0.099 529 H GLN 62 H GLN 62 -12.176 4.089 -6.067 530 HA GLN 62 HA GLN 62 -13.585 6.513 -7.041 531 HB2 GLN 62 2HB GLN 62 -11.874 4.508 -8.578 532 HB3 GLN 62 3HB GLN 62 -12.994 5.603 -9.378 533 HG2 GLN 62 2HG GLN 62 -11.767 7.531 -8.316 534 HG3 GLN 62 3HG GLN 62 -10.567 6.382 -7.730 535 HE21 GLN 62 1HE2 GLN 62 -10.201 8.634 -9.531 536 HE22 GLN 62 2HE2 GLN 62 -9.555 7.983 -10.997 537 H GLY 63 H GLY 63 -15.670 6.066 -6.631 538 HA2 GLY 63 2HA GLY 63 -17.755 5.135 -6.868 539 HA3 GLY 63 3HA GLY 63 -17.082 4.079 -8.104 540 H ASN 64 H ASN 64 -16.822 1.971 -7.614 541 HA ASN 64 HA ASN 64 -17.164 1.076 -4.804 542 HB2 ASN 64 2HB ASN 64 -18.902 0.313 -6.449 543 HB3 ASN 64 3HB ASN 64 -17.643 -0.488 -7.381 544 HD21 ASN 64 1HD2 ASN 64 -17.874 -0.446 -3.822 545 HD22 ASN 64 2HD2 ASN 64 -18.154 -2.139 -3.661 546 H THR 65 H THR 65 -14.968 1.259 -7.435 547 HA THR 65 HA THR 65 -13.262 -0.939 -6.485 548 HB THR 65 HB THR 65 -11.870 -0.308 -8.545 549 HG1 THR 65 HG1 THR 65 -12.485 1.321 -9.729 550 HG21 THR 65 1HG2 THR 65 -13.382 -1.389 -10.148 551 HG22 THR 65 2HG2 THR 65 -14.751 -1.127 -9.065 552 HG23 THR 65 3HG2 THR 65 -13.446 -2.219 -8.590 553 H TRP 66 H TRP 66 -10.864 -0.429 -6.627 554 HA TRP 66 HA TRP 66 -10.193 2.117 -5.267 555 HB2 TRP 66 2HB TRP 66 -9.004 -0.690 -4.956 556 HB3 TRP 66 3HB TRP 66 -8.297 0.760 -4.242 557 HD1 TRP 66 HD1 TRP 66 -11.054 -1.782 -3.638 558 HE1 TRP 66 HE1 TRP 66 -12.301 -1.190 -1.468 559 HE3 TRP 66 HE3 TRP 66 -9.033 2.835 -2.769 560 HZ2 TRP 66 HZ2 TRP 66 -12.422 0.956 0.357 561 HZ3 TRP 66 HZ3 TRP 66 -9.770 4.099 -0.791 562 HH2 TRP 66 HH2 TRP 66 -11.441 3.174 0.737 563 H THR 67 H THR 67 -8.200 3.110 -5.875 564 HA THR 67 HA THR 67 -6.899 2.121 -8.337 565 HB THR 67 HB THR 67 -8.580 3.824 -9.022 566 HG1 THR 67 HG1 THR 67 -6.209 3.651 -9.829 567 HG21 THR 67 1HG2 THR 67 -8.638 5.243 -6.987 568 HG22 THR 67 2HG2 THR 67 -8.319 6.207 -8.429 569 HG23 THR 67 3HG2 THR 67 -6.997 5.805 -7.335 570 H VAL 68 H VAL 68 -4.757 1.978 -7.998 571 HA VAL 68 HA VAL 68 -3.474 3.214 -5.736 572 HB VAL 68 HB VAL 68 -2.287 1.656 -8.078 573 HG11 VAL 68 1HG1 VAL 68 -0.236 1.428 -6.697 574 HG12 VAL 68 2HG1 VAL 68 -0.922 2.520 -5.492 575 HG13 VAL 68 3HG1 VAL 68 -0.551 3.116 -7.111 576 HG21 VAL 68 1HG2 VAL 68 -2.908 0.793 -5.225 577 HG22 VAL 68 2HG2 VAL 68 -2.169 -0.211 -6.473 578 HG23 VAL 68 3HG2 VAL 68 -3.829 0.344 -6.665 579 H LYS 69 H LYS 69 -3.343 5.347 -5.799 580 HA LYS 69 HA LYS 69 -3.111 7.014 -8.058 581 HB2 LYS 69 2HB LYS 69 -2.443 7.569 -5.130 582 HB3 LYS 69 3HB LYS 69 -2.618 8.808 -6.369 583 HG2 LYS 69 2HG LYS 69 -4.808 6.936 -5.421 584 HG3 LYS 69 3HG LYS 69 -4.614 8.614 -4.921 585 HD2 LYS 69 2HD LYS 69 -5.062 7.796 -7.815 586 HD3 LYS 69 3HD LYS 69 -6.383 8.137 -6.702 587 HE2 LYS 69 2HE LYS 69 -5.985 10.105 -8.030 588 HE3 LYS 69 3HE LYS 69 -5.469 10.448 -6.387 589 HZ1 LYS 69 1HZ LYS 69 -3.938 11.300 -8.087 590 HZ2 LYS 69 2HZ LYS 69 -3.641 9.723 -8.615 591 HZ3 LYS 69 3HZ LYS 69 -3.187 10.187 -7.058 592 H ARG 70 H ARG 70 -0.720 6.094 -5.577 593 HA ARG 70 HA ARG 70 1.432 5.879 -7.449 594 HB2 ARG 70 2HB ARG 70 2.896 7.646 -6.480 595 HB3 ARG 70 3HB ARG 70 1.469 8.326 -7.249 596 HG2 ARG 70 2HG ARG 70 0.417 8.599 -5.004 597 HG3 ARG 70 3HG ARG 70 1.900 7.994 -4.259 598 HD2 ARG 70 2HD ARG 70 1.740 10.469 -6.013 599 HD3 ARG 70 3HD ARG 70 1.707 10.486 -4.251 600 HE ARG 70 HE ARG 70 4.019 9.706 -5.935 601 HH11 ARG 70 1HH1 ARG 70 2.759 10.755 -2.811 602 HH12 ARG 70 2HH1 ARG 70 4.333 11.011 -2.131 603 HH21 ARG 70 1HH2 ARG 70 6.084 10.062 -5.006 604 HH22 ARG 70 2HH2 ARG 70 6.210 10.620 -3.371 605 H ILE 71 H ILE 71 3.237 4.854 -6.550 606 HA ILE 71 HA ILE 71 2.996 3.883 -3.771 607 HB ILE 71 HB ILE 71 4.883 2.974 -5.989 608 HG12 ILE 71 2HG1 ILE 71 2.446 1.506 -4.886 609 HG13 ILE 71 3HG1 ILE 71 2.436 2.434 -6.381 610 HG21 ILE 71 1HG2 ILE 71 4.401 1.796 -3.228 611 HG22 ILE 71 2HG2 ILE 71 5.862 2.632 -3.764 612 HG23 ILE 71 3HG2 ILE 71 5.419 1.081 -4.479 613 HD11 ILE 71 1HD1 ILE 71 4.020 -0.059 -5.805 614 HD12 ILE 71 2HD1 ILE 71 4.207 0.928 -7.259 615 HD13 ILE 71 3HD1 ILE 71 2.668 0.143 -6.918 616 H THR 72 H THR 72 3.914 5.278 -2.424 617 HA THR 72 HA THR 72 6.260 6.886 -3.102 618 HB THR 72 HB THR 72 4.650 6.771 -0.494 619 HG1 THR 72 HG1 THR 72 3.195 8.020 -1.398 620 HG21 THR 72 1HG2 THR 72 5.474 9.060 -0.121 621 HG22 THR 72 2HG2 THR 72 6.382 9.003 -1.633 622 HG23 THR 72 3HG2 THR 72 6.834 7.945 -0.292 623 H ARG 73 H ARG 73 8.287 6.469 -2.210 624 HA ARG 73 HA ARG 73 8.557 4.380 -0.101 625 HB2 ARG 73 2HB ARG 73 9.699 3.704 -2.204 626 HB3 ARG 73 3HB ARG 73 10.600 5.216 -2.226 627 HG2 ARG 73 2HG ARG 73 11.798 4.572 -0.183 628 HG3 ARG 73 3HG ARG 73 10.835 3.097 -0.054 629 HD2 ARG 73 2HD ARG 73 13.058 2.624 -0.957 630 HD3 ARG 73 3HD ARG 73 11.814 2.260 -2.149 631 HE ARG 73 HE ARG 73 12.496 4.723 -2.890 632 HH11 ARG 73 1HH1 ARG 73 14.619 2.038 -2.047 633 HH12 ARG 73 2HH1 ARG 73 15.892 2.574 -3.100 634 HH21 ARG 73 1HH2 ARG 73 14.155 5.377 -4.276 635 HH22 ARG 73 2HH2 ARG 73 15.629 4.461 -4.360 636 H THR 74 H THR 74 9.767 4.982 1.712 637 HA THR 74 HA THR 74 9.918 7.671 2.483 638 HB THR 74 HB THR 74 9.872 5.793 4.117 639 HG1 THR 74 HG1 THR 74 10.781 7.922 4.647 640 HG21 THR 74 1HG2 THR 74 11.426 4.211 3.011 641 HG22 THR 74 2HG2 THR 74 11.917 4.516 4.676 642 HG23 THR 74 3HG2 THR 74 12.781 5.296 3.348 643 H VAL 75 H VAL 75 11.664 9.154 2.584 644 HA VAL 75 HA VAL 75 13.482 9.151 0.436 645 HB VAL 75 HB VAL 75 13.646 10.814 2.998 646 HG11 VAL 75 1HG1 VAL 75 14.971 12.429 1.671 647 HG12 VAL 75 2HG1 VAL 75 14.922 11.341 0.281 648 HG13 VAL 75 3HG1 VAL 75 15.772 10.858 1.749 649 HG21 VAL 75 1HG2 VAL 75 12.291 11.494 0.360 650 HG22 VAL 75 2HG2 VAL 75 12.449 12.575 1.749 651 HG23 VAL 75 3HG2 VAL 75 11.478 11.108 1.879 652 H GLY 76 H GLY 76 14.765 7.431 0.369 653 HA2 GLY 76 2HA GLY 76 16.963 7.177 2.336 654 HA3 GLY 76 3HA GLY 76 16.076 5.750 1.788 655 H SER 77 H SER 77 16.128 7.986 -0.662 656 HA SER 77 HA SER 77 17.865 6.528 -2.354 657 HB2 SER 77 2HB SER 77 16.727 9.342 -2.726 658 HB3 SER 77 3HB SER 77 17.325 8.274 -4.000 659 HG SER 77 HG SER 77 15.442 7.347 -4.038 660 H LEU 78 H LEU 78 19.824 6.476 -1.169 661 HA LEU 78 HA LEU 78 21.287 8.843 -0.493 662 HB2 LEU 78 2HB LEU 78 23.241 7.077 -0.224 663 HB3 LEU 78 3HB LEU 78 21.936 7.176 0.936 664 HG LEU 78 HG LEU 78 20.858 5.169 -0.091 665 HD11 LEU 78 1HD1 LEU 78 21.696 5.311 -2.385 666 HD12 LEU 78 2HD1 LEU 78 22.053 3.740 -1.671 667 HD13 LEU 78 3HD1 LEU 78 23.332 4.950 -1.829 668 HD21 LEU 78 1HD2 LEU 78 22.337 4.941 1.838 669 HD22 LEU 78 2HD2 LEU 78 23.731 4.751 0.773 670 HD23 LEU 78 3HD2 LEU 78 22.456 3.530 0.786 671 H GLU 79 H GLU 79 23.344 9.482 -1.375 672 HA GLU 79 HA GLU 79 23.138 9.855 -4.165 673 HB2 GLU 79 2HB GLU 79 25.211 11.155 -4.010 674 HB3 GLU 79 3HB GLU 79 24.072 11.603 -2.746 675 HG2 GLU 79 2HG GLU 79 25.351 10.483 -1.058 676 HG3 GLU 79 3HG GLU 79 26.377 9.698 -2.259 677 H HIS 80 H HIS 80 24.210 9.009 -5.838 678 HA HIS 80 HA HIS 80 26.425 7.117 -5.433 679 HB2 HIS 80 2HB HIS 80 25.465 5.569 -7.122 680 HB3 HIS 80 3HB HIS 80 24.437 5.700 -5.703 681 HD1 HIS 80 HD1 HIS 80 22.134 6.877 -6.004 682 HD2 HIS 80 HD2 HIS 80 24.291 6.410 -9.532 683 HE1 HIS 80 HE1 HIS 80 20.498 7.280 -7.861 684 HE2 HIS 80 HE2 HIS 80 21.788 6.845 -9.967 685 H HIS 81 H HIS 81 27.864 7.038 -7.185 686 HA HIS 81 HA HIS 81 28.227 9.552 -8.492 687 HB2 HIS 81 2HB HIS 81 29.809 6.953 -8.713 688 HB3 HIS 81 3HB HIS 81 30.328 8.501 -9.378 689 HD1 HIS 81 HD1 HIS 81 30.639 6.455 -6.407 690 HD2 HIS 81 HD2 HIS 81 30.680 10.537 -7.220 691 HE1 HIS 81 HE1 HIS 81 31.677 7.540 -4.395 692 HE2 HIS 81 HE2 HIS 81 31.818 9.979 -4.971 693 H HIS 82 H HIS 82 28.302 10.025 -10.671 694 HA HIS 82 HA HIS 82 26.637 8.669 -12.527 695 HB2 HIS 82 2HB HIS 82 27.051 11.079 -12.719 696 HB3 HIS 82 3HB HIS 82 28.775 10.811 -12.918 697 HD1 HIS 82 HD1 HIS 82 25.586 10.945 -14.792 698 HD2 HIS 82 HD2 HIS 82 29.526 9.856 -15.529 699 HE1 HIS 82 HE1 HIS 82 25.802 10.831 -17.286 700 HE2 HIS 82 HE2 HIS 82 28.145 10.040 -17.699 701 H HIS 83 H HIS 83 27.197 6.595 -12.915 702 HA HIS 83 HA HIS 83 29.738 5.457 -13.190 703 HB2 HIS 83 2HB HIS 83 27.066 4.588 -14.381 704 HB3 HIS 83 3HB HIS 83 28.518 3.585 -14.390 705 HD1 HIS 83 HD1 HIS 83 25.988 5.072 -11.998 706 HD2 HIS 83 HD2 HIS 83 29.017 2.227 -12.004 707 HE1 HIS 83 HE1 HIS 83 25.773 3.856 -9.819 708 HE2 HIS 83 HE2 HIS 83 27.478 2.010 -9.952 709 H HIS 84 H HIS 84 30.990 4.927 -15.007 710 HA HIS 84 HA HIS 84 32.196 5.414 -16.846 711 HB2 HIS 84 2HB HIS 84 30.250 4.634 -18.147 712 HB3 HIS 84 3HB HIS 84 29.508 6.221 -18.047 713 HD1 HIS 84 HD1 HIS 84 29.961 7.761 -19.950 714 HD2 HIS 84 HD2 HIS 84 32.706 4.650 -19.791 715 HE1 HIS 84 HE1 HIS 84 31.320 7.952 -22.051 716 HE2 HIS 84 HE2 HIS 84 32.818 5.945 -22.017 717 H HIS 85 H HIS 85 33.413 6.973 -15.860 718 HA HIS 85 HA HIS 85 32.794 9.800 -16.369 719 HB2 HIS 85 2HB HIS 85 33.322 10.373 -13.949 720 HB3 HIS 85 3HB HIS 85 31.795 9.535 -14.202 721 HD1 HIS 85 HD1 HIS 85 35.047 9.252 -12.456 722 HD2 HIS 85 HD2 HIS 85 31.765 6.815 -13.205 723 HE1 HIS 85 HE1 HIS 85 35.272 7.311 -10.885 724 HE2 HIS 85 HE2 HIS 85 33.409 5.758 -11.528 Start of MODEL 8 1 H1 MET 1 1H MET 1 -24.290 -8.116 4.422 2 H2 MET 1 2H MET 1 -22.696 -8.543 4.062 3 H3 MET 1 3H MET 1 -23.453 -7.318 3.187 4 HA MET 1 HA MET 1 -23.578 -5.933 5.122 5 HB2 MET 1 2HB MET 1 -23.755 -7.802 6.778 6 HB3 MET 1 3HB MET 1 -22.067 -8.201 6.506 7 HG2 MET 1 2HG MET 1 -21.414 -6.001 7.423 8 HG3 MET 1 3HG MET 1 -23.112 -5.628 7.714 9 HE1 MET 1 1HE MET 1 -24.028 -8.319 10.478 10 HE2 MET 1 2HE MET 1 -24.214 -8.527 8.737 11 HE3 MET 1 3HE MET 1 -24.645 -6.992 9.491 12 HA PRO 2 HA PRO 2 -19.477 -5.272 3.056 13 HB2 PRO 2 2HB PRO 2 -19.990 -2.863 1.921 14 HB3 PRO 2 3HB PRO 2 -20.636 -4.366 1.232 15 HG2 PRO 2 2HG PRO 2 -22.030 -2.324 2.924 16 HG3 PRO 2 3HG PRO 2 -22.621 -3.192 1.489 17 HD2 PRO 2 2HD PRO 2 -23.215 -3.920 4.104 18 HD3 PRO 2 3HD PRO 2 -23.277 -5.025 2.715 19 H SER 3 H SER 3 -18.738 -5.215 5.306 20 HA SER 3 HA SER 3 -18.761 -2.854 6.888 21 HB2 SER 3 2HB SER 3 -18.292 -5.086 7.859 22 HB3 SER 3 3HB SER 3 -16.786 -5.182 6.940 23 HG SER 3 HG SER 3 -16.313 -4.459 8.993 24 H GLU 4 H GLU 4 -17.377 -1.151 6.936 25 HA GLU 4 HA GLU 4 -15.779 -0.551 4.672 26 HB2 GLU 4 2HB GLU 4 -15.236 1.561 5.890 27 HB3 GLU 4 3HB GLU 4 -16.956 1.237 5.801 28 HG2 GLU 4 2HG GLU 4 -16.589 2.096 7.966 29 HG3 GLU 4 3HG GLU 4 -16.802 0.361 8.187 30 H GLU 5 H GLU 5 -15.087 -2.116 7.685 31 HA GLU 5 HA GLU 5 -12.264 -1.833 7.799 32 HB2 GLU 5 2HB GLU 5 -13.608 -2.671 9.703 33 HB3 GLU 5 3HB GLU 5 -14.038 -4.117 8.793 34 HG2 GLU 5 2HG GLU 5 -11.620 -4.746 8.742 35 HG3 GLU 5 3HG GLU 5 -11.257 -3.340 9.737 36 H GLU 6 H GLU 6 -14.404 -4.076 6.078 37 HA GLU 6 HA GLU 6 -12.529 -5.939 5.101 38 HB2 GLU 6 2HB GLU 6 -15.144 -5.011 3.816 39 HB3 GLU 6 3HB GLU 6 -14.213 -6.412 3.289 40 HG2 GLU 6 2HG GLU 6 -14.539 -7.441 5.520 41 HG3 GLU 6 3HG GLU 6 -15.509 -6.051 5.997 42 H GLU 7 H GLU 7 -13.456 -2.740 4.000 43 HA GLU 7 HA GLU 7 -12.233 -2.741 1.467 44 HB2 GLU 7 2HB GLU 7 -12.682 -0.351 3.312 45 HB3 GLU 7 3HB GLU 7 -12.373 -0.277 1.577 46 HG2 GLU 7 2HG GLU 7 -14.809 -1.378 2.980 47 HG3 GLU 7 3HG GLU 7 -14.726 0.035 1.931 48 H LYS 8 H LYS 8 -10.972 -1.900 4.681 49 HA LYS 8 HA LYS 8 -8.461 -0.862 3.893 50 HB2 LYS 8 2HB LYS 8 -9.475 -2.067 6.491 51 HB3 LYS 8 3HB LYS 8 -7.775 -1.657 6.319 52 HG2 LYS 8 2HG LYS 8 -9.074 0.106 7.466 53 HG3 LYS 8 3HG LYS 8 -8.294 0.686 5.991 54 HD2 LYS 8 2HD LYS 8 -10.400 0.625 4.784 55 HD3 LYS 8 3HD LYS 8 -11.215 -0.153 6.145 56 HE2 LYS 8 2HE LYS 8 -9.983 2.620 6.280 57 HE3 LYS 8 3HE LYS 8 -11.678 2.309 5.906 58 HZ1 LYS 8 1HZ LYS 8 -11.278 2.830 8.252 59 HZ2 LYS 8 2HZ LYS 8 -10.339 1.432 8.397 60 HZ3 LYS 8 3HZ LYS 8 -11.983 1.315 8.033 61 H ARG 9 H ARG 9 -9.520 -4.136 4.739 62 HA ARG 9 HA ARG 9 -7.112 -5.563 4.507 63 HB2 ARG 9 2HB ARG 9 -9.179 -6.536 5.438 64 HB3 ARG 9 3HB ARG 9 -9.971 -6.415 3.873 65 HG2 ARG 9 2HG ARG 9 -8.268 -8.073 2.983 66 HG3 ARG 9 3HG ARG 9 -7.698 -8.274 4.644 67 HD2 ARG 9 2HD ARG 9 -9.976 -8.997 5.317 68 HD3 ARG 9 3HD ARG 9 -10.508 -8.830 3.638 69 HE ARG 9 HE ARG 9 -8.254 -10.570 3.838 70 HH11 ARG 9 1HH1 ARG 9 -11.729 -10.494 4.407 71 HH12 ARG 9 2HH1 ARG 9 -11.915 -12.209 4.199 72 HH21 ARG 9 1HH2 ARG 9 -8.510 -12.812 3.577 73 HH22 ARG 9 2HH2 ARG 9 -10.089 -13.520 3.728 74 H GLN 10 H GLN 10 -9.561 -4.744 2.084 75 HA GLN 10 HA GLN 10 -8.468 -6.055 -0.164 76 HB2 GLN 10 2HB GLN 10 -10.239 -3.574 -0.027 77 HB3 GLN 10 3HB GLN 10 -9.923 -4.497 -1.492 78 HG2 GLN 10 2HG GLN 10 -11.128 -6.398 -0.671 79 HG3 GLN 10 3HG GLN 10 -11.226 -5.716 0.954 80 HE21 GLN 10 1HE2 GLN 10 -13.469 -5.681 1.097 81 HE22 GLN 10 2HE2 GLN 10 -14.463 -4.654 0.124 82 H VAL 11 H VAL 11 -8.068 -2.742 1.062 83 HA VAL 11 HA VAL 11 -6.594 -1.704 -1.129 84 HB VAL 11 HB VAL 11 -6.824 -0.707 1.757 85 HG11 VAL 11 1HG1 VAL 11 -6.001 1.466 0.920 86 HG12 VAL 11 2HG1 VAL 11 -5.714 0.751 -0.663 87 HG13 VAL 11 3HG1 VAL 11 -4.785 0.207 0.726 88 HG21 VAL 11 1HG2 VAL 11 -8.220 0.235 -0.777 89 HG22 VAL 11 2HG2 VAL 11 -8.436 0.903 0.843 90 HG23 VAL 11 3HG2 VAL 11 -8.952 -0.744 0.491 91 H LYS 12 H LYS 12 -5.587 -3.008 2.042 92 HA LYS 12 HA LYS 12 -2.804 -2.626 1.790 93 HB2 LYS 12 2HB LYS 12 -4.368 -4.755 3.309 94 HB3 LYS 12 3HB LYS 12 -2.627 -4.534 3.460 95 HG2 LYS 12 2HG LYS 12 -2.976 -2.263 4.336 96 HG3 LYS 12 3HG LYS 12 -4.724 -2.460 4.179 97 HD2 LYS 12 2HD LYS 12 -2.933 -4.212 5.911 98 HD3 LYS 12 3HD LYS 12 -3.875 -2.851 6.507 99 HE2 LYS 12 2HE LYS 12 -5.959 -3.975 5.858 100 HE3 LYS 12 3HE LYS 12 -5.037 -5.326 5.190 101 HZ1 LYS 12 1HZ LYS 12 -4.131 -5.684 7.460 102 HZ2 LYS 12 2HZ LYS 12 -5.797 -5.923 7.350 103 HZ3 LYS 12 3HZ LYS 12 -5.193 -4.498 8.036 104 H GLN 13 H GLN 13 -4.962 -5.205 0.730 105 HA GLN 13 HA GLN 13 -3.002 -7.055 -0.146 106 HB2 GLN 13 2HB GLN 13 -5.380 -7.665 0.304 107 HB3 GLN 13 3HB GLN 13 -5.895 -6.720 -1.088 108 HG2 GLN 13 2HG GLN 13 -4.620 -8.246 -2.568 109 HG3 GLN 13 3HG GLN 13 -4.139 -9.188 -1.159 110 HE21 GLN 13 1HE2 GLN 13 -7.368 -7.798 -1.690 111 HE22 GLN 13 2HE2 GLN 13 -8.181 -9.312 -1.862 112 H VAL 14 H VAL 14 -4.917 -4.601 -1.944 113 HA VAL 14 HA VAL 14 -3.779 -4.936 -4.490 114 HB VAL 14 HB VAL 14 -4.871 -2.362 -3.223 115 HG11 VAL 14 1HG1 VAL 14 -4.402 -2.979 -6.168 116 HG12 VAL 14 2HG1 VAL 14 -3.506 -1.813 -5.189 117 HG13 VAL 14 3HG1 VAL 14 -5.216 -1.546 -5.535 118 HG21 VAL 14 1HG2 VAL 14 -6.982 -2.895 -4.408 119 HG22 VAL 14 2HG2 VAL 14 -6.549 -4.162 -3.263 120 HG23 VAL 14 3HG2 VAL 14 -6.281 -4.411 -4.986 121 H ALA 15 H ALA 15 -2.821 -2.920 -1.747 122 HA ALA 15 HA ALA 15 -0.775 -1.420 -2.968 123 HB1 ALA 15 1HB ALA 15 -1.930 -0.736 -0.903 124 HB2 ALA 15 2HB ALA 15 -0.181 -0.776 -0.665 125 HB3 ALA 15 3HB ALA 15 -1.191 -2.077 -0.027 126 H LYS 16 H LYS 16 -0.699 -4.469 -1.131 127 HA LYS 16 HA LYS 16 2.163 -4.584 -0.981 128 HB2 LYS 16 2HB LYS 16 1.905 -6.718 0.098 129 HB3 LYS 16 3HB LYS 16 0.672 -5.645 0.731 130 HG2 LYS 16 2HG LYS 16 -1.018 -6.745 -0.661 131 HG3 LYS 16 3HG LYS 16 0.212 -7.798 -1.357 132 HD2 LYS 16 2HD LYS 16 -0.667 -7.739 1.563 133 HD3 LYS 16 3HD LYS 16 -1.055 -8.985 0.374 134 HE2 LYS 16 2HE LYS 16 1.400 -9.476 0.167 135 HE3 LYS 16 3HE LYS 16 1.698 -8.325 1.472 136 HZ1 LYS 16 1HZ LYS 16 1.617 -10.581 2.305 137 HZ2 LYS 16 2HZ LYS 16 0.063 -10.800 1.680 138 HZ3 LYS 16 3HZ LYS 16 0.322 -9.691 2.932 139 H GLU 17 H GLU 17 -0.303 -5.963 -3.122 140 HA GLU 17 HA GLU 17 1.399 -7.694 -4.591 141 HB2 GLU 17 2HB GLU 17 -1.170 -6.316 -5.475 142 HB3 GLU 17 3HB GLU 17 -0.359 -7.593 -6.376 143 HG2 GLU 17 2HG GLU 17 -1.704 -7.820 -3.682 144 HG3 GLU 17 3HG GLU 17 -2.229 -8.529 -5.201 145 H LYS 18 H LYS 18 0.532 -4.285 -4.929 146 HA LYS 18 HA LYS 18 1.834 -3.728 -7.369 147 HB2 LYS 18 2HB LYS 18 1.156 -1.944 -4.992 148 HB3 LYS 18 3HB LYS 18 1.825 -1.323 -6.496 149 HG2 LYS 18 2HG LYS 18 -0.812 -2.778 -6.197 150 HG3 LYS 18 3HG LYS 18 -0.616 -1.038 -6.417 151 HD2 LYS 18 2HD LYS 18 0.169 -1.318 -8.664 152 HD3 LYS 18 3HD LYS 18 0.418 -3.049 -8.442 153 HE2 LYS 18 2HE LYS 18 -2.083 -3.296 -8.188 154 HE3 LYS 18 3HE LYS 18 -2.235 -1.595 -8.657 155 HZ1 LYS 18 1HZ LYS 18 -1.252 -2.066 -10.762 156 HZ2 LYS 18 2HZ LYS 18 -2.465 -3.215 -10.516 157 HZ3 LYS 18 3HZ LYS 18 -0.843 -3.642 -10.301 158 H LEU 19 H LEU 19 2.979 -3.764 -4.018 159 HA LEU 19 HA LEU 19 5.641 -2.843 -4.563 160 HB2 LEU 19 2HB LEU 19 4.599 -4.432 -2.183 161 HB3 LEU 19 3HB LEU 19 6.179 -3.674 -2.284 162 HG LEU 19 HG LEU 19 3.482 -2.325 -2.039 163 HD11 LEU 19 1HD1 LEU 19 4.516 -1.276 -0.079 164 HD12 LEU 19 2HD1 LEU 19 6.016 -2.154 -0.388 165 HD13 LEU 19 3HD1 LEU 19 4.545 -3.034 0.034 166 HD21 LEU 19 1HD2 LEU 19 4.623 -0.146 -2.301 167 HD22 LEU 19 2HD2 LEU 19 4.643 -1.093 -3.784 168 HD23 LEU 19 3HD2 LEU 19 6.100 -0.982 -2.790 169 H LEU 20 H LEU 20 4.083 -5.975 -4.547 170 HA LEU 20 HA LEU 20 6.490 -7.543 -4.757 171 HB2 LEU 20 2HB LEU 20 3.559 -8.210 -5.220 172 HB3 LEU 20 3HB LEU 20 4.848 -9.401 -5.354 173 HG LEU 20 HG LEU 20 4.330 -7.819 -2.806 174 HD11 LEU 20 1HD1 LEU 20 3.191 -9.776 -1.904 175 HD12 LEU 20 2HD1 LEU 20 3.320 -10.597 -3.462 176 HD13 LEU 20 3HD1 LEU 20 2.338 -9.138 -3.308 177 HD21 LEU 20 1HD2 LEU 20 5.943 -10.347 -3.284 178 HD22 LEU 20 2HD2 LEU 20 5.694 -9.544 -1.730 179 HD23 LEU 20 3HD2 LEU 20 6.600 -8.731 -3.002 180 H GLU 21 H GLU 21 4.480 -5.809 -6.993 181 HA GLU 21 HA GLU 21 5.560 -7.001 -9.396 182 HB2 GLU 21 2HB GLU 21 4.039 -4.380 -8.989 183 HB3 GLU 21 3HB GLU 21 4.556 -4.990 -10.562 184 HG2 GLU 21 2HG GLU 21 3.200 -7.061 -10.141 185 HG3 GLU 21 3HG GLU 21 2.604 -6.310 -8.665 186 H GLN 22 H GLN 22 6.598 -4.597 -7.145 187 HA GLN 22 HA GLN 22 8.698 -3.523 -8.878 188 HB2 GLN 22 2HB GLN 22 8.201 -3.057 -5.900 189 HB3 GLN 22 3HB GLN 22 9.288 -2.134 -6.934 190 HG2 GLN 22 2HG GLN 22 7.381 -1.283 -8.217 191 HG3 GLN 22 3HG GLN 22 6.272 -2.244 -7.246 192 HE21 GLN 22 1HE2 GLN 22 7.708 -1.664 -4.722 193 HE22 GLN 22 2HE2 GLN 22 7.277 -0.044 -4.328 194 H SER 23 H SER 23 8.319 -5.758 -6.166 195 HA SER 23 HA SER 23 10.860 -7.042 -6.630 196 HB2 SER 23 2HB SER 23 11.483 -5.101 -5.144 197 HB3 SER 23 3HB SER 23 10.368 -5.707 -3.920 198 HG SER 23 HG SER 23 12.811 -6.776 -4.806 199 HA PRO 24 HA PRO 24 7.580 -9.966 -5.234 200 HB2 PRO 24 2HB PRO 24 8.457 -12.176 -6.564 201 HB3 PRO 24 3HB PRO 24 7.678 -10.822 -7.411 202 HG2 PRO 24 2HG PRO 24 10.605 -11.450 -7.170 203 HG3 PRO 24 3HG PRO 24 9.677 -10.951 -8.603 204 HD2 PRO 24 2HD PRO 24 11.177 -9.194 -7.107 205 HD3 PRO 24 3HD PRO 24 9.739 -8.705 -8.030 206 H ASN 25 H ASN 25 11.043 -10.300 -4.898 207 HA ASN 25 HA ASN 25 11.072 -12.709 -3.328 208 HB2 ASN 25 2HB ASN 25 13.267 -10.621 -3.746 209 HB3 ASN 25 3HB ASN 25 13.488 -12.243 -3.086 210 HD21 ASN 25 1HD2 ASN 25 13.456 -14.013 -4.495 211 HD22 ASN 25 2HD2 ASN 25 13.510 -13.840 -6.212 212 H SER 26 H SER 26 10.816 -9.314 -2.656 213 HA SER 26 HA SER 26 11.771 -9.442 0.062 214 HB2 SER 26 2HB SER 26 10.422 -7.201 -1.504 215 HB3 SER 26 3HB SER 26 11.159 -7.027 0.094 216 HG SER 26 HG SER 26 12.353 -6.813 -2.226 217 H LYS 27 H LYS 27 10.609 -9.808 1.836 218 HA LYS 27 HA LYS 27 7.807 -10.399 1.791 219 HB2 LYS 27 2HB LYS 27 9.350 -11.592 3.292 220 HB3 LYS 27 3HB LYS 27 9.736 -10.095 4.132 221 HG2 LYS 27 2HG LYS 27 7.468 -9.947 5.012 222 HG3 LYS 27 3HG LYS 27 6.967 -11.357 4.074 223 HD2 LYS 27 2HD LYS 27 9.122 -11.421 6.227 224 HD3 LYS 27 3HD LYS 27 7.428 -11.814 6.525 225 HE2 LYS 27 2HE LYS 27 9.274 -13.284 4.607 226 HE3 LYS 27 3HE LYS 27 8.792 -13.847 6.209 227 HZ1 LYS 27 1HZ LYS 27 7.457 -14.905 4.530 228 HZ2 LYS 27 2HZ LYS 27 6.987 -13.415 3.885 229 HZ3 LYS 27 3HZ LYS 27 6.477 -13.865 5.432 230 H VAL 28 H VAL 28 6.178 -9.020 2.018 231 HA VAL 28 HA VAL 28 6.707 -6.200 2.708 232 HB VAL 28 HB VAL 28 4.218 -7.421 1.395 233 HG11 VAL 28 1HG1 VAL 28 5.140 -4.530 1.633 234 HG12 VAL 28 2HG1 VAL 28 3.798 -5.270 2.507 235 HG13 VAL 28 3HG1 VAL 28 3.711 -5.085 0.757 236 HG21 VAL 28 1HG2 VAL 28 5.102 -6.571 -0.753 237 HG22 VAL 28 2HG2 VAL 28 6.197 -7.760 -0.047 238 HG23 VAL 28 3HG2 VAL 28 6.583 -6.042 0.053 239 H GLN 29 H GLN 29 6.368 -5.765 4.809 240 HA GLN 29 HA GLN 29 4.235 -7.060 6.369 241 HB2 GLN 29 2HB GLN 29 6.472 -6.886 7.402 242 HB3 GLN 29 3HB GLN 29 6.500 -5.149 7.138 243 HG2 GLN 29 2HG GLN 29 6.077 -5.776 9.496 244 HG3 GLN 29 3HG GLN 29 4.789 -4.797 8.806 245 HE21 GLN 29 1HE2 GLN 29 5.144 -8.293 8.257 246 HE22 GLN 29 2HE2 GLN 29 3.713 -8.740 9.110 247 H VAL 30 H VAL 30 2.552 -5.803 7.340 248 HA VAL 30 HA VAL 30 1.933 -3.230 6.097 249 HB VAL 30 HB VAL 30 0.045 -4.719 6.276 250 HG11 VAL 30 1HG1 VAL 30 -0.830 -5.654 8.378 251 HG12 VAL 30 2HG1 VAL 30 0.529 -4.952 9.263 252 HG13 VAL 30 3HG1 VAL 30 0.817 -6.208 8.059 253 HG21 VAL 30 1HG2 VAL 30 -1.579 -3.371 7.575 254 HG22 VAL 30 2HG2 VAL 30 -0.477 -2.347 6.654 255 HG23 VAL 30 3HG2 VAL 30 -0.245 -2.548 8.392 256 H ARG 31 H ARG 31 3.031 -1.551 6.901 257 HA ARG 31 HA ARG 31 4.072 -1.461 9.599 258 HB2 ARG 31 2HB ARG 31 5.395 -0.549 7.720 259 HB3 ARG 31 3HB ARG 31 4.129 0.622 7.368 260 HG2 ARG 31 2HG ARG 31 5.980 1.698 8.547 261 HG3 ARG 31 3HG ARG 31 4.524 1.724 9.543 262 HD2 ARG 31 2HD ARG 31 5.429 -0.330 10.739 263 HD3 ARG 31 3HD ARG 31 6.940 -0.093 9.854 264 HE ARG 31 HE ARG 31 5.987 2.203 11.376 265 HH11 ARG 31 1HH1 ARG 31 8.061 -0.650 11.404 266 HH12 ARG 31 2HH1 ARG 31 9.039 -0.072 12.719 267 HH21 ARG 31 1HH2 ARG 31 7.247 2.939 13.103 268 HH22 ARG 31 2HH2 ARG 31 8.570 1.981 13.688 269 H ARG 32 H ARG 32 1.535 0.231 7.768 270 HA ARG 32 HA ARG 32 -0.132 0.686 10.022 271 HB2 ARG 32 2HB ARG 32 1.562 2.481 10.462 272 HB3 ARG 32 3HB ARG 32 1.281 3.150 8.865 273 HG2 ARG 32 2HG ARG 32 0.187 4.503 10.576 274 HG3 ARG 32 3HG ARG 32 -1.019 3.767 9.518 275 HD2 ARG 32 2HD ARG 32 -1.745 3.666 11.857 276 HD3 ARG 32 3HD ARG 32 -1.468 2.044 11.228 277 HE ARG 32 HE ARG 32 0.518 1.887 12.533 278 HH11 ARG 32 1HH1 ARG 32 -1.367 4.763 13.283 279 HH12 ARG 32 2HH1 ARG 32 -0.601 5.016 14.820 280 HH21 ARG 32 1HH2 ARG 32 1.528 2.233 14.537 281 HH22 ARG 32 2HH2 ARG 32 1.048 3.575 15.531 282 H VAL 33 H VAL 33 -2.199 1.541 9.377 283 HA VAL 33 HA VAL 33 -2.626 1.923 6.457 284 HB VAL 33 HB VAL 33 -4.746 1.048 8.503 285 HG11 VAL 33 1HG1 VAL 33 -6.081 0.464 6.499 286 HG12 VAL 33 2HG1 VAL 33 -4.793 1.068 5.454 287 HG13 VAL 33 3HG1 VAL 33 -5.662 2.179 6.516 288 HG21 VAL 33 1HG2 VAL 33 -4.540 -1.228 7.564 289 HG22 VAL 33 2HG2 VAL 33 -3.042 -0.701 8.337 290 HG23 VAL 33 3HG2 VAL 33 -3.174 -0.698 6.576 291 H GLN 34 H GLN 34 -2.908 4.071 6.050 292 HA GLN 34 HA GLN 34 -4.244 5.813 8.035 293 HB2 GLN 34 2HB GLN 34 -2.524 6.512 5.626 294 HB3 GLN 34 3HB GLN 34 -3.341 7.695 6.655 295 HG2 GLN 34 2HG GLN 34 -2.046 6.879 8.603 296 HG3 GLN 34 3HG GLN 34 -1.208 5.735 7.549 297 HE21 GLN 34 1HE2 GLN 34 0.209 6.561 5.951 298 HE22 GLN 34 2HE2 GLN 34 0.877 8.135 6.108 299 H LYS 35 H LYS 35 -6.074 7.048 7.390 300 HA LYS 35 HA LYS 35 -7.300 6.460 4.763 301 HB2 LYS 35 2HB LYS 35 -8.124 4.893 6.655 302 HB3 LYS 35 3HB LYS 35 -8.858 6.303 7.399 303 HG2 LYS 35 2HG LYS 35 -9.550 5.452 4.577 304 HG3 LYS 35 3HG LYS 35 -10.331 4.729 5.975 305 HD2 LYS 35 2HD LYS 35 -11.091 7.056 6.644 306 HD3 LYS 35 3HD LYS 35 -10.446 7.646 5.108 307 HE2 LYS 35 2HE LYS 35 -11.996 6.199 3.867 308 HE3 LYS 35 3HE LYS 35 -12.595 5.504 5.375 309 HZ1 LYS 35 1HZ LYS 35 -14.119 7.156 4.574 310 HZ2 LYS 35 2HZ LYS 35 -12.905 8.327 4.493 311 HZ3 LYS 35 3HZ LYS 35 -13.402 7.730 5.994 312 H GLN 36 H GLN 36 -7.706 8.370 3.869 313 HA GLN 36 HA GLN 36 -8.420 10.745 5.483 314 HB2 GLN 36 2HB GLN 36 -6.325 10.679 3.245 315 HB3 GLN 36 3HB GLN 36 -6.904 12.134 4.048 316 HG2 GLN 36 2HG GLN 36 -5.905 11.428 6.149 317 HG3 GLN 36 3HG GLN 36 -5.424 9.887 5.445 318 HE21 GLN 36 1HE2 GLN 36 -4.730 13.322 5.578 319 HE22 GLN 36 2HE2 GLN 36 -3.187 13.234 4.806 320 H GLY 37 H GLY 37 -10.539 10.769 4.823 321 HA2 GLY 37 2HA GLY 37 -12.367 11.228 3.514 322 HA3 GLY 37 3HA GLY 37 -11.263 11.766 2.255 323 H ASN 38 H ASN 38 -10.659 10.335 0.616 324 HA ASN 38 HA ASN 38 -11.986 7.674 0.538 325 HB2 ASN 38 2HB ASN 38 -11.259 9.543 -1.771 326 HB3 ASN 38 3HB ASN 38 -11.794 7.882 -1.990 327 HD21 ASN 38 1HD2 ASN 38 -13.973 7.346 -1.514 328 HD22 ASN 38 2HD2 ASN 38 -15.201 8.557 -1.437 329 H THR 39 H THR 39 -8.968 9.404 0.363 330 HA THR 39 HA THR 39 -7.468 7.287 -0.922 331 HB THR 39 HB THR 39 -6.359 9.761 0.470 332 HG1 THR 39 HG1 THR 39 -6.261 10.314 -1.982 333 HG21 THR 39 1HG2 THR 39 -5.165 7.959 -1.689 334 HG22 THR 39 2HG2 THR 39 -4.656 8.024 0.002 335 HG23 THR 39 3HG2 THR 39 -4.421 9.423 -1.043 336 H ILE 40 H ILE 40 -7.405 5.467 0.340 337 HA ILE 40 HA ILE 40 -6.355 5.580 3.061 338 HB ILE 40 HB ILE 40 -6.946 3.162 1.278 339 HG12 ILE 40 2HG1 ILE 40 -8.502 4.445 3.561 340 HG13 ILE 40 3HG1 ILE 40 -8.990 4.363 1.875 341 HG21 ILE 40 1HG2 ILE 40 -6.223 3.214 4.241 342 HG22 ILE 40 2HG2 ILE 40 -5.190 2.622 2.939 343 HG23 ILE 40 3HG2 ILE 40 -6.693 1.785 3.318 344 HD11 ILE 40 1HD1 ILE 40 -8.756 2.034 3.780 345 HD12 ILE 40 2HD1 ILE 40 -9.235 1.936 2.082 346 HD13 ILE 40 3HD1 ILE 40 -10.239 2.814 3.232 347 H ARG 41 H ARG 41 -4.276 6.160 3.195 348 HA ARG 41 HA ARG 41 -2.255 5.260 1.259 349 HB2 ARG 41 2HB ARG 41 -2.061 7.155 3.648 350 HB3 ARG 41 3HB ARG 41 -0.719 6.764 2.574 351 HG2 ARG 41 2HG ARG 41 -1.982 7.774 0.679 352 HG3 ARG 41 3HG ARG 41 -3.273 8.221 1.800 353 HD2 ARG 41 2HD ARG 41 -1.732 9.651 3.050 354 HD3 ARG 41 3HD ARG 41 -0.384 9.142 2.028 355 HE ARG 41 HE ARG 41 -2.028 10.194 0.197 356 HH11 ARG 41 1HH1 ARG 41 -0.997 11.482 3.315 357 HH12 ARG 41 2HH1 ARG 41 -1.114 13.137 2.809 358 HH21 ARG 41 1HH2 ARG 41 -2.138 12.365 -0.463 359 HH22 ARG 41 2HH2 ARG 41 -1.766 13.642 0.653 360 H VAL 42 H VAL 42 -1.985 3.094 1.722 361 HA VAL 42 HA VAL 42 -1.551 2.166 4.435 362 HB VAL 42 HB VAL 42 -1.074 0.626 1.828 363 HG11 VAL 42 1HG1 VAL 42 -1.262 -1.388 3.234 364 HG12 VAL 42 2HG1 VAL 42 -1.491 -0.385 4.672 365 HG13 VAL 42 3HG1 VAL 42 0.049 -0.354 3.811 366 HG21 VAL 42 1HG2 VAL 42 -3.561 0.713 3.573 367 HG22 VAL 42 2HG2 VAL 42 -3.308 -0.364 2.195 368 HG23 VAL 42 3HG2 VAL 42 -3.405 1.381 1.943 369 H GLU 43 H GLU 43 0.317 2.505 5.420 370 HA GLU 43 HA GLU 43 2.864 2.838 4.054 371 HB2 GLU 43 2HB GLU 43 2.319 2.507 7.041 372 HB3 GLU 43 3HB GLU 43 3.761 3.196 6.297 373 HG2 GLU 43 2HG GLU 43 0.978 4.393 6.302 374 HG3 GLU 43 3HG GLU 43 2.338 4.931 7.284 375 H LEU 44 H LEU 44 3.868 1.016 3.315 376 HA LEU 44 HA LEU 44 3.642 -1.474 4.920 377 HB2 LEU 44 2HB LEU 44 4.287 -1.451 1.947 378 HB3 LEU 44 3HB LEU 44 3.838 -2.805 2.967 379 HG LEU 44 HG LEU 44 1.537 -1.420 3.201 380 HD11 LEU 44 1HD1 LEU 44 0.932 -0.303 1.104 381 HD12 LEU 44 2HD1 LEU 44 2.578 -0.518 0.502 382 HD13 LEU 44 3HD1 LEU 44 2.276 0.509 1.907 383 HD21 LEU 44 1HD2 LEU 44 2.190 -3.103 0.767 384 HD22 LEU 44 2HD2 LEU 44 0.572 -2.739 1.381 385 HD23 LEU 44 3HD2 LEU 44 1.683 -3.708 2.346 386 H GLU 45 H GLU 45 5.476 -2.619 5.288 387 HA GLU 45 HA GLU 45 8.024 -1.166 4.984 388 HB2 GLU 45 2HB GLU 45 7.076 -1.487 7.272 389 HB3 GLU 45 3HB GLU 45 7.102 -3.231 7.046 390 HG2 GLU 45 2HG GLU 45 9.568 -3.172 6.928 391 HG3 GLU 45 3HG GLU 45 9.539 -1.417 7.136 392 H LEU 46 H LEU 46 9.048 -1.974 3.258 393 HA LEU 46 HA LEU 46 9.131 -4.898 2.732 394 HB2 LEU 46 2HB LEU 46 7.820 -3.686 1.050 395 HB3 LEU 46 3HB LEU 46 9.115 -2.547 0.781 396 HG LEU 46 HG LEU 46 9.551 -5.493 0.147 397 HD11 LEU 46 1HD1 LEU 46 8.794 -5.138 -2.154 398 HD12 LEU 46 2HD1 LEU 46 8.274 -3.496 -1.755 399 HD13 LEU 46 3HD1 LEU 46 7.470 -4.884 -1.018 400 HD21 LEU 46 1HD2 LEU 46 11.524 -4.032 0.053 401 HD22 LEU 46 2HD2 LEU 46 10.700 -2.958 -1.078 402 HD23 LEU 46 3HD2 LEU 46 11.098 -4.613 -1.556 403 H ARG 47 H ARG 47 11.129 -5.798 2.504 404 HA ARG 47 HA ARG 47 13.477 -4.059 3.015 405 HB2 ARG 47 2HB ARG 47 13.272 -7.093 3.329 406 HB3 ARG 47 3HB ARG 47 14.549 -6.043 3.941 407 HG2 ARG 47 2HG ARG 47 13.058 -5.074 5.587 408 HG3 ARG 47 3HG ARG 47 11.665 -5.898 4.878 409 HD2 ARG 47 2HD ARG 47 14.014 -7.234 6.270 410 HD3 ARG 47 3HD ARG 47 12.387 -7.026 6.927 411 HE ARG 47 HE ARG 47 12.298 -8.423 4.457 412 HH11 ARG 47 1HH1 ARG 47 13.129 -8.965 7.841 413 HH12 ARG 47 2HH1 ARG 47 12.804 -10.667 7.766 414 HH21 ARG 47 1HH2 ARG 47 11.940 -10.664 4.360 415 HH22 ARG 47 2HH2 ARG 47 12.132 -11.631 5.789 416 H THR 48 H THR 48 14.086 -3.411 0.962 417 HA THR 48 HA THR 48 14.185 -5.164 -1.326 418 HB THR 48 HB THR 48 15.340 -2.351 -0.958 419 HG1 THR 48 HG1 THR 48 13.335 -1.770 -1.175 420 HG21 THR 48 1HG2 THR 48 14.832 -3.914 -3.525 421 HG22 THR 48 2HG2 THR 48 16.418 -3.507 -2.865 422 HG23 THR 48 3HG2 THR 48 15.345 -2.226 -3.428 423 H ASN 49 H ASN 49 15.577 -6.839 -0.988 424 HA ASN 49 HA ASN 49 17.465 -8.074 -0.796 425 HB2 ASN 49 2HB ASN 49 18.856 -5.492 -1.651 426 HB3 ASN 49 3HB ASN 49 19.600 -7.088 -1.624 427 HD21 ASN 49 1HD2 ASN 49 20.049 -6.979 -3.844 428 HD22 ASN 49 2HD2 ASN 49 18.818 -7.147 -5.045 429 H GLY 50 H GLY 50 16.433 -6.606 1.537 430 HA2 GLY 50 2HA GLY 50 17.078 -6.956 3.791 431 HA3 GLY 50 3HA GLY 50 18.768 -6.856 3.331 432 H LYS 51 H LYS 51 17.582 -4.329 1.700 433 HA LYS 51 HA LYS 51 18.138 -2.385 3.788 434 HB2 LYS 51 2HB LYS 51 17.341 -2.022 0.865 435 HB3 LYS 51 3HB LYS 51 17.758 -0.703 1.947 436 HG2 LYS 51 2HG LYS 51 19.679 -2.937 1.207 437 HG3 LYS 51 3HG LYS 51 19.556 -1.418 0.328 438 HD2 LYS 51 2HD LYS 51 21.361 -0.988 1.745 439 HD3 LYS 51 3HD LYS 51 20.022 -0.298 2.656 440 HE2 LYS 51 2HE LYS 51 19.941 -2.334 4.059 441 HE3 LYS 51 3HE LYS 51 21.271 -3.024 3.130 442 HZ1 LYS 51 1HZ LYS 51 21.419 -0.537 4.760 443 HZ2 LYS 51 2HZ LYS 51 22.686 -1.210 3.870 444 HZ3 LYS 51 3HZ LYS 51 22.045 -2.042 5.194 445 H LYS 52 H LYS 52 16.606 -1.435 5.028 446 HA LYS 52 HA LYS 52 13.844 -2.279 4.781 447 HB2 LYS 52 2HB LYS 52 14.957 -2.243 6.987 448 HB3 LYS 52 3HB LYS 52 15.229 -0.509 6.847 449 HG2 LYS 52 2HG LYS 52 12.771 -0.134 6.848 450 HG3 LYS 52 3HG LYS 52 12.514 -1.875 7.030 451 HD2 LYS 52 2HD LYS 52 13.677 -1.835 9.201 452 HD3 LYS 52 3HD LYS 52 14.013 -0.110 9.009 453 HE2 LYS 52 2HE LYS 52 11.629 0.394 9.084 454 HE3 LYS 52 3HE LYS 52 11.243 -1.327 9.165 455 HZ1 LYS 52 1HZ LYS 52 11.134 -0.358 11.336 456 HZ2 LYS 52 2HZ LYS 52 12.704 0.245 11.210 457 HZ3 LYS 52 3HZ LYS 52 12.447 -1.426 11.286 458 H GLU 53 H GLU 53 12.563 -1.217 3.433 459 HA GLU 53 HA GLU 53 12.640 1.734 3.242 460 HB2 GLU 53 2HB GLU 53 12.131 -0.181 0.914 461 HB3 GLU 53 3HB GLU 53 12.179 1.580 0.835 462 HG2 GLU 53 2HG GLU 53 14.613 1.379 1.661 463 HG3 GLU 53 3HG GLU 53 14.469 -0.341 1.311 464 H ASN 54 H ASN 54 10.774 2.485 4.030 465 HA ASN 54 HA ASN 54 8.279 1.006 3.952 466 HB2 ASN 54 2HB ASN 54 8.831 3.910 4.758 467 HB3 ASN 54 3HB ASN 54 7.299 3.064 4.982 468 HD21 ASN 54 1HD2 ASN 54 10.598 3.361 6.105 469 HD22 ASN 54 2HD2 ASN 54 10.392 2.438 7.548 470 H TYR 55 H TYR 55 6.482 1.553 2.652 471 HA TYR 55 HA TYR 55 6.897 3.424 0.392 472 HB2 TYR 55 2HB TYR 55 5.716 0.601 0.288 473 HB3 TYR 55 3HB TYR 55 5.572 1.770 -1.020 474 HD1 TYR 55 HD1 TYR 55 7.369 2.074 -2.601 475 HD2 TYR 55 HD2 TYR 55 8.035 -0.294 0.889 476 HE1 TYR 55 HE1 TYR 55 9.492 1.262 -3.550 477 HE2 TYR 55 HE2 TYR 55 10.139 -1.113 -0.062 478 HH TYR 55 HH TYR 55 11.716 0.282 -2.580 479 H THR 56 H THR 56 5.394 4.965 0.582 480 HA THR 56 HA THR 56 2.788 4.537 1.794 481 HB THR 56 HB THR 56 4.006 6.953 0.363 482 HG1 THR 56 HG1 THR 56 3.752 6.272 3.117 483 HG21 THR 56 1HG2 THR 56 1.537 7.058 0.298 484 HG22 THR 56 2HG2 THR 56 2.199 8.277 1.386 485 HG23 THR 56 3HG2 THR 56 1.478 6.812 2.050 486 H VAL 57 H VAL 57 1.609 3.154 0.483 487 HA VAL 57 HA VAL 57 1.322 3.823 -2.384 488 HB VAL 57 HB VAL 57 0.172 1.395 -0.908 489 HG11 VAL 57 1HG1 VAL 57 0.406 1.978 -3.894 490 HG12 VAL 57 2HG1 VAL 57 -1.084 1.998 -2.951 491 HG13 VAL 57 3HG1 VAL 57 -0.212 0.483 -3.180 492 HG21 VAL 57 1HG2 VAL 57 2.637 1.337 -0.898 493 HG22 VAL 57 2HG2 VAL 57 2.663 1.564 -2.648 494 HG23 VAL 57 3HG2 VAL 57 1.980 0.088 -1.959 495 H GLU 58 H GLU 58 0.025 5.452 -2.542 496 HA GLU 58 HA GLU 58 -2.271 5.973 -0.863 497 HB2 GLU 58 2HB GLU 58 -1.396 7.372 -3.437 498 HB3 GLU 58 3HB GLU 58 -2.500 8.007 -2.216 499 HG2 GLU 58 2HG GLU 58 -0.626 8.110 -0.595 500 HG3 GLU 58 3HG GLU 58 0.464 7.468 -1.822 501 H VAL 59 H VAL 59 -3.859 4.466 -1.211 502 HA VAL 59 HA VAL 59 -4.818 4.012 -3.985 503 HB VAL 59 HB VAL 59 -5.497 2.348 -1.512 504 HG11 VAL 59 1HG1 VAL 59 -6.207 0.654 -3.164 505 HG12 VAL 59 2HG1 VAL 59 -5.804 1.765 -4.477 506 HG13 VAL 59 3HG1 VAL 59 -7.102 2.164 -3.349 507 HG21 VAL 59 1HG2 VAL 59 -3.061 2.206 -1.884 508 HG22 VAL 59 2HG2 VAL 59 -3.333 1.741 -3.566 509 HG23 VAL 59 3HG2 VAL 59 -3.850 0.671 -2.257 510 H GLU 60 H GLU 60 -6.420 5.397 -4.419 511 HA GLU 60 HA GLU 60 -8.177 6.439 -2.295 512 HB2 GLU 60 2HB GLU 60 -6.889 8.087 -3.602 513 HB3 GLU 60 3HB GLU 60 -7.566 7.462 -5.101 514 HG2 GLU 60 2HG GLU 60 -9.806 8.235 -4.431 515 HG3 GLU 60 3HG GLU 60 -9.158 8.829 -2.900 516 H ARG 61 H ARG 61 -10.386 6.399 -2.532 517 HA ARG 61 HA ARG 61 -11.512 4.195 -4.023 518 HB2 ARG 61 2HB ARG 61 -12.148 4.706 -1.689 519 HB3 ARG 61 3HB ARG 61 -12.780 6.268 -2.186 520 HG2 ARG 61 2HG ARG 61 -14.577 4.694 -1.819 521 HG3 ARG 61 3HG ARG 61 -14.509 5.156 -3.517 522 HD2 ARG 61 2HD ARG 61 -13.623 3.040 -4.160 523 HD3 ARG 61 3HD ARG 61 -13.233 2.603 -2.487 524 HE ARG 61 HE ARG 61 -16.030 3.028 -3.316 525 HH11 ARG 61 1HH1 ARG 61 -13.556 0.814 -2.146 526 HH12 ARG 61 2HH1 ARG 61 -14.704 -0.403 -1.706 527 HH21 ARG 61 1HH2 ARG 61 -17.496 1.472 -2.650 528 HH22 ARG 61 2HH2 ARG 61 -16.937 -0.028 -1.993 529 H GLN 62 H GLN 62 -11.915 4.514 -6.123 530 HA GLN 62 HA GLN 62 -13.186 7.008 -7.097 531 HB2 GLN 62 2HB GLN 62 -11.050 6.252 -8.204 532 HB3 GLN 62 3HB GLN 62 -11.855 4.774 -8.703 533 HG2 GLN 62 2HG GLN 62 -11.767 6.276 -10.573 534 HG3 GLN 62 3HG GLN 62 -13.443 6.141 -10.057 535 HE21 GLN 62 1HE2 GLN 62 -12.009 8.226 -11.601 536 HE22 GLN 62 2HE2 GLN 62 -12.321 9.716 -10.788 537 H GLY 63 H GLY 63 -15.287 6.620 -6.502 538 HA2 GLY 63 2HA GLY 63 -17.433 5.877 -6.709 539 HA3 GLY 63 3HA GLY 63 -16.927 4.932 -8.100 540 H ASN 64 H ASN 64 -16.560 2.795 -7.873 541 HA ASN 64 HA ASN 64 -17.167 1.508 -5.274 542 HB2 ASN 64 2HB ASN 64 -17.334 0.357 -8.103 543 HB3 ASN 64 3HB ASN 64 -17.791 -0.478 -6.620 544 HD21 ASN 64 1HD2 ASN 64 -19.371 0.153 -8.998 545 HD22 ASN 64 2HD2 ASN 64 -20.733 1.063 -8.446 546 H THR 65 H THR 65 -14.729 1.912 -7.712 547 HA THR 65 HA THR 65 -13.179 -0.457 -6.920 548 HB THR 65 HB THR 65 -11.695 0.229 -8.868 549 HG1 THR 65 HG1 THR 65 -12.985 2.508 -8.667 550 HG21 THR 65 1HG2 THR 65 -13.295 -0.439 -10.631 551 HG22 THR 65 2HG2 THR 65 -14.644 -0.143 -9.533 552 HG23 THR 65 3HG2 THR 65 -13.495 -1.440 -9.192 553 H TRP 66 H TRP 66 -10.881 -0.263 -6.512 554 HA TRP 66 HA TRP 66 -10.044 2.194 -5.085 555 HB2 TRP 66 2HB TRP 66 -9.240 -0.735 -4.760 556 HB3 TRP 66 3HB TRP 66 -8.340 0.580 -4.021 557 HD1 TRP 66 HD1 TRP 66 -11.314 -1.616 -3.397 558 HE1 TRP 66 HE1 TRP 66 -12.508 -0.872 -1.230 559 HE3 TRP 66 HE3 TRP 66 -8.957 2.870 -2.662 560 HZ2 TRP 66 HZ2 TRP 66 -12.463 1.324 0.529 561 HZ3 TRP 66 HZ3 TRP 66 -9.600 4.237 -0.720 562 HH2 TRP 66 HH2 TRP 66 -11.319 3.477 0.844 563 H THR 67 H THR 67 -8.822 3.438 -6.363 564 HA THR 67 HA THR 67 -7.013 2.265 -8.380 565 HB THR 67 HB THR 67 -8.673 3.815 -9.294 566 HG1 THR 67 HG1 THR 67 -6.970 5.488 -10.023 567 HG21 THR 67 1HG2 THR 67 -8.708 6.221 -8.729 568 HG22 THR 67 2HG2 THR 67 -7.504 5.955 -7.470 569 HG23 THR 67 3HG2 THR 67 -9.106 5.236 -7.312 570 H VAL 68 H VAL 68 -4.852 2.346 -8.054 571 HA VAL 68 HA VAL 68 -3.692 3.675 -5.759 572 HB VAL 68 HB VAL 68 -2.298 2.206 -8.057 573 HG11 VAL 68 1HG1 VAL 68 -1.202 3.041 -5.339 574 HG12 VAL 68 2HG1 VAL 68 -0.755 3.727 -6.903 575 HG13 VAL 68 3HG1 VAL 68 -0.351 2.052 -6.531 576 HG21 VAL 68 1HG2 VAL 68 -2.164 0.279 -6.514 577 HG22 VAL 68 2HG2 VAL 68 -3.841 0.719 -6.841 578 HG23 VAL 68 3HG2 VAL 68 -3.095 1.167 -5.304 579 H LYS 69 H LYS 69 -3.466 5.816 -5.814 580 HA LYS 69 HA LYS 69 -3.186 7.416 -8.142 581 HB2 LYS 69 2HB LYS 69 -2.540 8.239 -5.278 582 HB3 LYS 69 3HB LYS 69 -2.920 9.300 -6.632 583 HG2 LYS 69 2HG LYS 69 -4.824 7.385 -5.252 584 HG3 LYS 69 3HG LYS 69 -4.826 9.143 -5.130 585 HD2 LYS 69 2HD LYS 69 -5.386 7.562 -7.673 586 HD3 LYS 69 3HD LYS 69 -6.619 8.265 -6.626 587 HE2 LYS 69 2HE LYS 69 -4.505 9.842 -8.140 588 HE3 LYS 69 3HE LYS 69 -6.186 9.649 -8.635 589 HZ1 LYS 69 1HZ LYS 69 -6.880 10.791 -6.633 590 HZ2 LYS 69 2HZ LYS 69 -5.814 11.754 -7.520 591 HZ3 LYS 69 3HZ LYS 69 -5.273 10.955 -6.131 592 H ARG 70 H ARG 70 -0.865 6.477 -5.571 593 HA ARG 70 HA ARG 70 1.291 6.226 -7.419 594 HB2 ARG 70 2HB ARG 70 1.302 8.695 -7.233 595 HB3 ARG 70 3HB ARG 70 1.439 8.587 -5.482 596 HG2 ARG 70 2HG ARG 70 3.647 7.523 -5.713 597 HG3 ARG 70 3HG ARG 70 3.514 7.589 -7.470 598 HD2 ARG 70 2HD ARG 70 3.594 10.012 -7.433 599 HD3 ARG 70 3HD ARG 70 3.512 10.032 -5.665 600 HE ARG 70 HE ARG 70 5.737 8.507 -6.366 601 HH11 ARG 70 1HH1 ARG 70 4.747 11.878 -6.708 602 HH12 ARG 70 2HH1 ARG 70 6.381 12.466 -6.673 603 HH21 ARG 70 1HH2 ARG 70 7.839 9.296 -6.287 604 HH22 ARG 70 2HH2 ARG 70 8.128 11.003 -6.435 605 H ILE 71 H ILE 71 2.859 4.959 -6.625 606 HA ILE 71 HA ILE 71 3.019 4.249 -3.767 607 HB ILE 71 HB ILE 71 4.610 3.161 -6.150 608 HG12 ILE 71 2HG1 ILE 71 2.221 1.823 -4.798 609 HG13 ILE 71 3HG1 ILE 71 2.121 2.707 -6.319 610 HG21 ILE 71 1HG2 ILE 71 5.765 2.839 -4.009 611 HG22 ILE 71 2HG2 ILE 71 5.197 1.291 -4.632 612 HG23 ILE 71 3HG2 ILE 71 4.327 2.082 -3.316 613 HD11 ILE 71 1HD1 ILE 71 3.664 0.184 -5.778 614 HD12 ILE 71 2HD1 ILE 71 3.783 1.120 -7.273 615 HD13 ILE 71 3HD1 ILE 71 2.245 0.402 -6.801 616 H THR 72 H THR 72 4.185 5.827 -2.711 617 HA THR 72 HA THR 72 6.588 7.014 -3.937 618 HB THR 72 HB THR 72 5.031 7.869 -1.443 619 HG1 THR 72 HG1 THR 72 4.328 8.107 -3.959 620 HG21 THR 72 1HG2 THR 72 7.376 8.656 -1.402 621 HG22 THR 72 2HG2 THR 72 6.275 10.005 -1.678 622 HG23 THR 72 3HG2 THR 72 7.192 9.328 -3.025 623 H ARG 73 H ARG 73 8.505 6.105 -3.353 624 HA ARG 73 HA ARG 73 8.767 4.309 -1.103 625 HB2 ARG 73 2HB ARG 73 10.008 3.962 -3.246 626 HB3 ARG 73 3HB ARG 73 10.916 5.446 -2.963 627 HG2 ARG 73 2HG ARG 73 12.078 4.504 -1.106 628 HG3 ARG 73 3HG ARG 73 10.966 3.136 -1.002 629 HD2 ARG 73 2HD ARG 73 13.048 2.385 -1.946 630 HD3 ARG 73 3HD ARG 73 11.814 2.321 -3.200 631 HE ARG 73 HE ARG 73 12.915 4.690 -3.700 632 HH11 ARG 73 1HH1 ARG 73 14.492 1.600 -3.057 633 HH12 ARG 73 2HH1 ARG 73 15.881 1.986 -4.026 634 HH21 ARG 73 1HH2 ARG 73 14.741 5.198 -4.887 635 HH22 ARG 73 2HH2 ARG 73 16.022 4.039 -5.069 636 H THR 74 H THR 74 10.128 4.662 0.734 637 HA THR 74 HA THR 74 9.553 6.980 2.141 638 HB THR 74 HB THR 74 10.045 4.872 3.271 639 HG1 THR 74 HG1 THR 74 10.437 6.883 4.397 640 HG21 THR 74 1HG2 THR 74 12.954 5.241 2.423 641 HG22 THR 74 2HG2 THR 74 11.852 4.003 1.822 642 HG23 THR 74 3HG2 THR 74 12.350 3.985 3.512 643 H VAL 75 H VAL 75 10.542 8.868 2.556 644 HA VAL 75 HA VAL 75 12.666 9.857 0.924 645 HB VAL 75 HB VAL 75 11.506 11.120 3.454 646 HG11 VAL 75 1HG1 VAL 75 12.321 13.262 2.521 647 HG12 VAL 75 2HG1 VAL 75 13.029 12.405 1.149 648 HG13 VAL 75 3HG1 VAL 75 13.651 12.130 2.778 649 HG21 VAL 75 1HG2 VAL 75 10.617 11.470 0.559 650 HG22 VAL 75 2HG2 VAL 75 9.993 12.374 1.941 651 HG23 VAL 75 3HG2 VAL 75 9.719 10.635 1.831 652 H GLY 76 H GLY 76 14.614 9.062 1.160 653 HA2 GLY 76 2HA GLY 76 16.436 9.314 3.178 654 HA3 GLY 76 3HA GLY 76 15.597 7.805 3.564 655 H SER 77 H SER 77 15.002 6.951 0.987 656 HA SER 77 HA SER 77 17.570 6.086 -0.096 657 HB2 SER 77 2HB SER 77 15.626 4.502 0.195 658 HB3 SER 77 3HB SER 77 14.743 5.406 -1.040 659 HG SER 77 HG SER 77 15.996 3.472 -1.714 660 H LEU 78 H LEU 78 17.428 5.994 -2.728 661 HA LEU 78 HA LEU 78 16.616 8.638 -3.774 662 HB2 LEU 78 2HB LEU 78 19.153 8.381 -3.003 663 HB3 LEU 78 3HB LEU 78 19.335 7.478 -4.491 664 HG LEU 78 HG LEU 78 18.533 10.412 -4.244 665 HD11 LEU 78 1HD1 LEU 78 20.887 10.033 -3.749 666 HD12 LEU 78 2HD1 LEU 78 20.711 10.873 -5.285 667 HD13 LEU 78 3HD1 LEU 78 21.102 9.151 -5.265 668 HD21 LEU 78 1HD2 LEU 78 18.679 10.557 -6.690 669 HD22 LEU 78 2HD2 LEU 78 17.408 9.444 -6.196 670 HD23 LEU 78 3HD2 LEU 78 18.943 8.813 -6.795 671 H GLU 79 H GLU 79 15.293 8.152 -5.418 672 HA GLU 79 HA GLU 79 15.513 5.745 -7.025 673 HB2 GLU 79 2HB GLU 79 13.754 8.225 -7.369 674 HB3 GLU 79 3HB GLU 79 13.629 6.767 -8.342 675 HG2 GLU 79 2HG GLU 79 11.866 6.633 -6.771 676 HG3 GLU 79 3HG GLU 79 13.095 5.509 -6.202 677 H HIS 80 H HIS 80 17.371 5.711 -8.245 678 HA HIS 80 HA HIS 80 18.777 8.051 -9.009 679 HB2 HIS 80 2HB HIS 80 20.425 6.588 -10.050 680 HB3 HIS 80 3HB HIS 80 19.903 5.870 -8.536 681 HD1 HIS 80 HD1 HIS 80 19.694 5.381 -12.267 682 HD2 HIS 80 HD2 HIS 80 18.725 3.339 -8.773 683 HE1 HIS 80 HE1 HIS 80 19.183 3.022 -12.976 684 HE2 HIS 80 HE2 HIS 80 18.511 1.838 -10.862 685 H HIS 81 H HIS 81 19.393 8.728 -11.155 686 HA HIS 81 HA HIS 81 17.111 9.163 -12.812 687 HB2 HIS 81 2HB HIS 81 20.022 10.002 -13.118 688 HB3 HIS 81 3HB HIS 81 18.777 10.442 -14.287 689 HD1 HIS 81 HD1 HIS 81 17.274 12.373 -13.710 690 HD2 HIS 81 HD2 HIS 81 19.658 11.218 -10.516 691 HE1 HIS 81 HE1 HIS 81 16.959 14.147 -11.966 692 HE2 HIS 81 HE2 HIS 81 18.288 13.345 -9.985 693 H HIS 82 H HIS 82 16.960 8.766 -15.064 694 HA HIS 82 HA HIS 82 17.784 6.023 -15.763 695 HB2 HIS 82 2HB HIS 82 15.622 7.840 -16.944 696 HB3 HIS 82 3HB HIS 82 15.924 6.172 -17.428 697 HD1 HIS 82 HD1 HIS 82 14.519 4.481 -16.276 698 HD2 HIS 82 HD2 HIS 82 14.816 7.975 -14.035 699 HE1 HIS 82 HE1 HIS 82 12.944 4.183 -14.344 700 HE2 HIS 82 HE2 HIS 82 13.187 6.281 -12.969 701 H HIS 83 H HIS 83 19.517 5.861 -17.106 702 HA HIS 83 HA HIS 83 20.519 7.997 -18.725 703 HB2 HIS 83 2HB HIS 83 22.011 6.181 -17.869 704 HB3 HIS 83 3HB HIS 83 21.169 5.008 -18.876 705 HD1 HIS 83 HD1 HIS 83 23.779 7.649 -18.993 706 HD2 HIS 83 HD2 HIS 83 21.730 5.230 -21.683 707 HE1 HIS 83 HE1 HIS 83 25.024 7.844 -21.166 708 HE2 HIS 83 HE2 HIS 83 23.826 6.287 -22.742 709 H HIS 84 H HIS 84 19.355 8.722 -20.439 710 HA HIS 84 HA HIS 84 17.288 7.223 -21.677 711 HB2 HIS 84 2HB HIS 84 16.812 9.148 -23.013 712 HB3 HIS 84 3HB HIS 84 17.358 9.771 -21.466 713 HD1 HIS 84 HD1 HIS 84 18.191 9.670 -25.078 714 HD2 HIS 84 HD2 HIS 84 19.868 11.141 -21.569 715 HE1 HIS 84 HE1 HIS 84 19.998 11.249 -25.803 716 HE2 HIS 84 HE2 HIS 84 20.870 12.258 -23.673 717 H HIS 85 H HIS 85 17.400 5.792 -23.273 718 HA HIS 85 HA HIS 85 19.824 5.264 -24.744 719 HB2 HIS 85 2HB HIS 85 18.431 3.524 -25.960 720 HB3 HIS 85 3HB HIS 85 18.479 3.347 -24.213 721 HD1 HIS 85 HD1 HIS 85 16.140 4.699 -26.889 722 HD2 HIS 85 HD2 HIS 85 16.024 3.120 -23.047 723 HE1 HIS 85 HE1 HIS 85 13.705 4.410 -26.350 724 HE2 HIS 85 HE2 HIS 85 13.679 3.253 -24.118 Start of MODEL 9 1 H1 MET 1 1H MET 1 -19.864 2.135 1.193 2 H2 MET 1 2H MET 1 -18.708 1.732 0.031 3 H3 MET 1 3H MET 1 -18.324 1.638 1.674 4 HA MET 1 HA MET 1 -20.311 -0.021 0.245 5 HB2 MET 1 2HB MET 1 -17.542 -0.674 1.345 6 HB3 MET 1 3HB MET 1 -18.679 -1.897 0.791 7 HG2 MET 1 2HG MET 1 -17.511 0.295 -0.942 8 HG3 MET 1 3HG MET 1 -16.944 -1.376 -0.884 9 HE1 MET 1 1HE MET 1 -17.227 -1.785 -3.501 10 HE2 MET 1 2HE MET 1 -17.633 -0.073 -3.641 11 HE3 MET 1 3HE MET 1 -18.661 -1.290 -4.396 12 HA PRO 2 HA PRO 2 -22.272 -0.854 4.251 13 HB2 PRO 2 2HB PRO 2 -22.368 -3.726 3.313 14 HB3 PRO 2 3HB PRO 2 -23.681 -2.687 3.910 15 HG2 PRO 2 2HG PRO 2 -23.498 -3.207 1.317 16 HG3 PRO 2 3HG PRO 2 -23.920 -1.569 1.871 17 HD2 PRO 2 2HD PRO 2 -21.273 -2.591 0.854 18 HD3 PRO 2 3HD PRO 2 -22.087 -1.045 0.522 19 H SER 3 H SER 3 -19.817 -3.150 3.110 20 HA SER 3 HA SER 3 -19.033 -3.949 5.793 21 HB2 SER 3 2HB SER 3 -17.817 -4.621 3.083 22 HB3 SER 3 3HB SER 3 -17.432 -5.414 4.615 23 HG SER 3 HG SER 3 -19.797 -5.518 3.087 24 H GLU 4 H GLU 4 -17.997 -2.458 6.909 25 HA GLU 4 HA GLU 4 -16.470 -0.311 5.744 26 HB2 GLU 4 2HB GLU 4 -18.027 0.004 7.660 27 HB3 GLU 4 3HB GLU 4 -17.017 -1.026 8.659 28 HG2 GLU 4 2HG GLU 4 -15.588 1.307 7.487 29 HG3 GLU 4 3HG GLU 4 -16.903 1.743 8.575 30 H GLU 5 H GLU 5 -15.754 -3.280 7.587 31 HA GLU 5 HA GLU 5 -12.986 -2.774 8.025 32 HB2 GLU 5 2HB GLU 5 -14.104 -5.589 7.714 33 HB3 GLU 5 3HB GLU 5 -12.769 -5.049 8.722 34 HG2 GLU 5 2HG GLU 5 -15.733 -4.689 9.195 35 HG3 GLU 5 3HG GLU 5 -14.588 -5.617 10.154 36 H GLU 6 H GLU 6 -14.823 -4.194 5.421 37 HA GLU 6 HA GLU 6 -13.016 -5.586 3.892 38 HB2 GLU 6 2HB GLU 6 -15.461 -5.476 3.514 39 HB3 GLU 6 3HB GLU 6 -15.302 -3.817 2.952 40 HG2 GLU 6 2HG GLU 6 -13.812 -4.728 1.094 41 HG3 GLU 6 3HG GLU 6 -14.322 -6.341 1.594 42 H GLU 7 H GLU 7 -13.650 -2.097 3.918 43 HA GLU 7 HA GLU 7 -12.298 -1.311 1.612 44 HB2 GLU 7 2HB GLU 7 -12.665 0.292 4.179 45 HB3 GLU 7 3HB GLU 7 -12.311 0.966 2.587 46 HG2 GLU 7 2HG GLU 7 -14.844 -0.490 3.416 47 HG3 GLU 7 3HG GLU 7 -14.675 1.240 3.124 48 H LYS 8 H LYS 8 -11.074 -1.658 4.923 49 HA LYS 8 HA LYS 8 -8.456 -0.601 4.447 50 HB2 LYS 8 2HB LYS 8 -9.490 -2.406 6.693 51 HB3 LYS 8 3HB LYS 8 -7.873 -1.714 6.659 52 HG2 LYS 8 2HG LYS 8 -9.204 -0.374 8.145 53 HG3 LYS 8 3HG LYS 8 -8.899 0.577 6.691 54 HD2 LYS 8 2HD LYS 8 -11.193 -0.053 5.866 55 HD3 LYS 8 3HD LYS 8 -11.491 -0.870 7.405 56 HE2 LYS 8 2HE LYS 8 -11.333 1.239 8.598 57 HE3 LYS 8 3HE LYS 8 -10.823 2.083 7.131 58 HZ1 LYS 8 1HZ LYS 8 -13.167 2.432 7.613 59 HZ2 LYS 8 2HZ LYS 8 -13.459 0.769 7.526 60 HZ3 LYS 8 3HZ LYS 8 -12.966 1.614 6.147 61 H ARG 9 H ARG 9 -9.839 -3.839 4.690 62 HA ARG 9 HA ARG 9 -7.552 -5.432 4.385 63 HB2 ARG 9 2HB ARG 9 -10.466 -5.991 3.689 64 HB3 ARG 9 3HB ARG 9 -9.213 -7.231 3.745 65 HG2 ARG 9 2HG ARG 9 -8.929 -6.991 6.104 66 HG3 ARG 9 3HG ARG 9 -9.872 -5.499 6.148 67 HD2 ARG 9 2HD ARG 9 -11.119 -7.440 7.045 68 HD3 ARG 9 3HD ARG 9 -11.911 -6.718 5.643 69 HE ARG 9 HE ARG 9 -10.333 -8.788 4.673 70 HH11 ARG 9 1HH1 ARG 9 -13.081 -8.528 6.877 71 HH12 ARG 9 2HH1 ARG 9 -13.686 -10.106 6.485 72 HH21 ARG 9 1HH2 ARG 9 -11.204 -10.823 4.127 73 HH22 ARG 9 2HH2 ARG 9 -12.630 -11.398 4.937 74 H GLN 10 H GLN 10 -9.660 -3.951 1.965 75 HA GLN 10 HA GLN 10 -8.634 -5.293 -0.340 76 HB2 GLN 10 2HB GLN 10 -10.229 -2.716 -0.027 77 HB3 GLN 10 3HB GLN 10 -9.756 -3.355 -1.602 78 HG2 GLN 10 2HG GLN 10 -11.060 -5.375 -1.216 79 HG3 GLN 10 3HG GLN 10 -11.488 -4.826 0.405 80 HE21 GLN 10 1HE2 GLN 10 -12.865 -2.980 0.607 81 HE22 GLN 10 2HE2 GLN 10 -13.942 -2.534 -0.661 82 H VAL 11 H VAL 11 -8.077 -2.024 1.029 83 HA VAL 11 HA VAL 11 -6.366 -1.102 -1.022 84 HB VAL 11 HB VAL 11 -6.549 -0.102 1.863 85 HG11 VAL 11 1HG1 VAL 11 -5.672 2.045 0.970 86 HG12 VAL 11 2HG1 VAL 11 -5.469 1.283 -0.603 87 HG13 VAL 11 3HG1 VAL 11 -4.516 0.729 0.755 88 HG21 VAL 11 1HG2 VAL 11 -8.133 1.555 1.014 89 HG22 VAL 11 2HG2 VAL 11 -8.717 -0.071 0.665 90 HG23 VAL 11 3HG2 VAL 11 -7.989 0.891 -0.617 91 H LYS 12 H LYS 12 -5.650 -2.512 2.169 92 HA LYS 12 HA LYS 12 -2.826 -2.225 2.093 93 HB2 LYS 12 2HB LYS 12 -4.497 -4.232 3.666 94 HB3 LYS 12 3HB LYS 12 -2.806 -3.833 3.982 95 HG2 LYS 12 2HG LYS 12 -3.473 -1.501 4.507 96 HG3 LYS 12 3HG LYS 12 -5.164 -1.933 4.236 97 HD2 LYS 12 2HD LYS 12 -3.337 -3.094 6.372 98 HD3 LYS 12 3HD LYS 12 -4.614 -1.914 6.642 99 HE2 LYS 12 2HE LYS 12 -6.302 -3.573 6.004 100 HE3 LYS 12 3HE LYS 12 -5.034 -4.750 5.639 101 HZ1 LYS 12 1HZ LYS 12 -5.868 -5.209 7.802 102 HZ2 LYS 12 2HZ LYS 12 -5.695 -3.603 8.293 103 HZ3 LYS 12 3HZ LYS 12 -4.324 -4.545 8.000 104 H GLN 13 H GLN 13 -5.049 -4.741 0.987 105 HA GLN 13 HA GLN 13 -3.137 -6.729 0.322 106 HB2 GLN 13 2HB GLN 13 -5.516 -7.292 0.541 107 HB3 GLN 13 3HB GLN 13 -5.930 -6.220 -0.792 108 HG2 GLN 13 2HG GLN 13 -4.685 -7.683 -2.351 109 HG3 GLN 13 3HG GLN 13 -4.260 -8.745 -1.012 110 HE21 GLN 13 1HE2 GLN 13 -7.450 -7.249 -1.456 111 HE22 GLN 13 2HE2 GLN 13 -8.287 -8.727 -1.769 112 H VAL 14 H VAL 14 -4.897 -4.399 -1.795 113 HA VAL 14 HA VAL 14 -3.650 -4.871 -4.225 114 HB VAL 14 HB VAL 14 -4.758 -2.213 -3.182 115 HG11 VAL 14 1HG1 VAL 14 -4.200 -3.014 -6.067 116 HG12 VAL 14 2HG1 VAL 14 -3.319 -1.797 -5.141 117 HG13 VAL 14 3HG1 VAL 14 -5.014 -1.532 -5.551 118 HG21 VAL 14 1HG2 VAL 14 -6.430 -4.028 -3.167 119 HG22 VAL 14 2HG2 VAL 14 -6.112 -4.348 -4.873 120 HG23 VAL 14 3HG2 VAL 14 -6.831 -2.811 -4.380 121 H ALA 15 H ALA 15 -2.730 -2.615 -1.663 122 HA ALA 15 HA ALA 15 -0.562 -1.317 -2.882 123 HB1 ALA 15 1HB ALA 15 -1.735 -0.464 -0.887 124 HB2 ALA 15 2HB ALA 15 0.002 -0.586 -0.597 125 HB3 ALA 15 3HB ALA 15 -1.094 -1.804 0.063 126 H LYS 16 H LYS 16 -0.711 -4.170 -0.825 127 HA LYS 16 HA LYS 16 2.044 -4.776 -0.684 128 HB2 LYS 16 2HB LYS 16 0.662 -5.747 0.963 129 HB3 LYS 16 3HB LYS 16 -0.547 -6.250 -0.204 130 HG2 LYS 16 2HG LYS 16 0.931 -8.010 -1.009 131 HG3 LYS 16 3HG LYS 16 2.174 -7.534 0.159 132 HD2 LYS 16 2HD LYS 16 0.804 -8.215 2.027 133 HD3 LYS 16 3HD LYS 16 -0.638 -8.345 1.013 134 HE2 LYS 16 2HE LYS 16 1.801 -10.143 0.799 135 HE3 LYS 16 3HE LYS 16 0.294 -10.562 1.617 136 HZ1 LYS 16 1HZ LYS 16 0.510 -9.870 -1.265 137 HZ2 LYS 16 2HZ LYS 16 -0.875 -10.389 -0.456 138 HZ3 LYS 16 3HZ LYS 16 0.433 -11.442 -0.652 139 H GLU 17 H GLU 17 -0.547 -5.795 -2.931 140 HA GLU 17 HA GLU 17 0.851 -7.792 -4.340 141 HB2 GLU 17 2HB GLU 17 -1.384 -6.006 -5.413 142 HB3 GLU 17 3HB GLU 17 -0.866 -7.538 -6.113 143 HG2 GLU 17 2HG GLU 17 -2.325 -7.072 -3.513 144 HG3 GLU 17 3HG GLU 17 -2.899 -7.929 -4.935 145 H LYS 18 H LYS 18 0.489 -4.313 -4.896 146 HA LYS 18 HA LYS 18 1.847 -4.128 -7.361 147 HB2 LYS 18 2HB LYS 18 1.379 -2.035 -5.191 148 HB3 LYS 18 3HB LYS 18 2.021 -1.662 -6.790 149 HG2 LYS 18 2HG LYS 18 -0.722 -2.813 -6.186 150 HG3 LYS 18 3HG LYS 18 -0.379 -1.146 -6.660 151 HD2 LYS 18 2HD LYS 18 0.296 -1.845 -8.883 152 HD3 LYS 18 3HD LYS 18 0.293 -3.545 -8.415 153 HE2 LYS 18 2HE LYS 18 -2.199 -3.334 -8.033 154 HE3 LYS 18 3HE LYS 18 -2.108 -1.732 -8.779 155 HZ1 LYS 18 1HZ LYS 18 -2.717 -3.470 -10.376 156 HZ2 LYS 18 2HZ LYS 18 -1.260 -4.279 -10.070 157 HZ3 LYS 18 3HZ LYS 18 -1.247 -2.748 -10.790 158 H LEU 19 H LEU 19 2.981 -3.806 -3.980 159 HA LEU 19 HA LEU 19 5.703 -3.191 -4.627 160 HB2 LEU 19 2HB LEU 19 4.429 -4.240 -2.077 161 HB3 LEU 19 3HB LEU 19 6.134 -3.825 -2.191 162 HG LEU 19 HG LEU 19 3.788 -1.903 -2.501 163 HD11 LEU 19 1HD1 LEU 19 4.609 -0.872 -0.439 164 HD12 LEU 19 2HD1 LEU 19 5.873 -2.099 -0.309 165 HD13 LEU 19 3HD1 LEU 19 4.173 -2.560 -0.181 166 HD21 LEU 19 1HD2 LEU 19 6.759 -1.311 -2.670 167 HD22 LEU 19 2HD2 LEU 19 5.460 -0.113 -2.643 168 HD23 LEU 19 3HD2 LEU 19 5.591 -1.234 -3.994 169 H LEU 20 H LEU 20 3.940 -6.220 -4.283 170 HA LEU 20 HA LEU 20 6.221 -7.973 -4.272 171 HB2 LEU 20 2HB LEU 20 3.298 -8.489 -4.966 172 HB3 LEU 20 3HB LEU 20 4.515 -9.754 -4.888 173 HG LEU 20 HG LEU 20 3.565 -8.046 -2.553 174 HD11 LEU 20 1HD1 LEU 20 3.076 -10.980 -3.135 175 HD12 LEU 20 2HD1 LEU 20 1.889 -9.676 -3.240 176 HD13 LEU 20 3HD1 LEU 20 2.579 -10.110 -1.678 177 HD21 LEU 20 1HD2 LEU 20 5.599 -10.296 -2.554 178 HD22 LEU 20 2HD2 LEU 20 4.940 -9.500 -1.122 179 HD23 LEU 20 3HD2 LEU 20 5.920 -8.584 -2.261 180 H GLU 21 H GLU 21 4.186 -6.498 -6.762 181 HA GLU 21 HA GLU 21 5.224 -7.945 -9.008 182 HB2 GLU 21 2HB GLU 21 3.708 -5.309 -8.821 183 HB3 GLU 21 3HB GLU 21 4.182 -6.031 -10.358 184 HG2 GLU 21 2HG GLU 21 2.817 -8.031 -9.827 185 HG3 GLU 21 3HG GLU 21 2.321 -7.282 -8.310 186 H GLN 22 H GLN 22 6.087 -4.924 -7.401 187 HA GLN 22 HA GLN 22 8.097 -4.111 -9.304 188 HB2 GLN 22 2HB GLN 22 7.541 -3.164 -6.458 189 HB3 GLN 22 3HB GLN 22 8.687 -2.402 -7.559 190 HG2 GLN 22 2HG GLN 22 6.874 -1.813 -9.091 191 HG3 GLN 22 3HG GLN 22 5.704 -2.636 -8.067 192 HE21 GLN 22 1HE2 GLN 22 6.902 -1.605 -5.565 193 HE22 GLN 22 2HE2 GLN 22 6.440 0.055 -5.489 194 H SER 23 H SER 23 8.086 -5.913 -6.260 195 HA SER 23 HA SER 23 10.799 -6.867 -6.768 196 HB2 SER 23 2HB SER 23 11.131 -4.832 -5.335 197 HB3 SER 23 3HB SER 23 10.086 -5.541 -4.107 198 HG SER 23 HG SER 23 12.600 -5.820 -4.160 199 HA PRO 24 HA PRO 24 8.192 -10.342 -5.132 200 HB2 PRO 24 2HB PRO 24 9.148 -12.272 -6.804 201 HB3 PRO 24 3HB PRO 24 7.914 -11.105 -7.330 202 HG2 PRO 24 2HG PRO 24 10.881 -11.050 -7.835 203 HG3 PRO 24 3HG PRO 24 9.543 -10.756 -8.971 204 HD2 PRO 24 2HD PRO 24 10.923 -8.717 -7.771 205 HD3 PRO 24 3HD PRO 24 9.218 -8.574 -8.242 206 H ASN 25 H ASN 25 11.468 -9.538 -5.158 207 HA ASN 25 HA ASN 25 12.498 -11.788 -3.628 208 HB2 ASN 25 2HB ASN 25 13.672 -9.045 -4.290 209 HB3 ASN 25 3HB ASN 25 14.533 -10.287 -3.394 210 HD21 ASN 25 1HD2 ASN 25 12.513 -10.970 -6.246 211 HD22 ASN 25 2HD2 ASN 25 13.837 -11.415 -7.256 212 H SER 26 H SER 26 10.728 -8.923 -3.025 213 HA SER 26 HA SER 26 11.796 -8.369 -0.385 214 HB2 SER 26 2HB SER 26 11.230 -6.468 -1.785 215 HB3 SER 26 3HB SER 26 9.575 -7.050 -1.993 216 HG SER 26 HG SER 26 9.098 -6.471 0.027 217 H LYS 27 H LYS 27 10.880 -8.847 1.502 218 HA LYS 27 HA LYS 27 8.252 -10.107 1.700 219 HB2 LYS 27 2HB LYS 27 10.077 -10.964 3.139 220 HB3 LYS 27 3HB LYS 27 10.311 -9.368 3.836 221 HG2 LYS 27 2HG LYS 27 9.089 -10.794 5.390 222 HG3 LYS 27 3HG LYS 27 8.050 -9.476 4.843 223 HD2 LYS 27 2HD LYS 27 6.770 -11.543 4.890 224 HD3 LYS 27 3HD LYS 27 6.977 -11.032 3.216 225 HE2 LYS 27 2HE LYS 27 8.754 -12.710 2.906 226 HE3 LYS 27 3HE LYS 27 8.629 -13.180 4.603 227 HZ1 LYS 27 1HZ LYS 27 7.431 -14.705 3.157 228 HZ2 LYS 27 2HZ LYS 27 6.462 -13.446 2.587 229 HZ3 LYS 27 3HZ LYS 27 6.368 -13.914 4.208 230 H VAL 28 H VAL 28 6.593 -8.739 1.544 231 HA VAL 28 HA VAL 28 6.831 -5.907 2.322 232 HB VAL 28 HB VAL 28 4.745 -7.339 0.600 233 HG11 VAL 28 1HG1 VAL 28 3.919 -5.078 0.008 234 HG12 VAL 28 2HG1 VAL 28 5.049 -4.365 1.163 235 HG13 VAL 28 3HG1 VAL 28 3.741 -5.403 1.735 236 HG21 VAL 28 1HG2 VAL 28 6.988 -5.449 -0.227 237 HG22 VAL 28 2HG2 VAL 28 5.803 -6.190 -1.309 238 HG23 VAL 28 3HG2 VAL 28 6.981 -7.198 -0.467 239 H GLN 29 H GLN 29 6.155 -5.464 4.313 240 HA GLN 29 HA GLN 29 3.893 -6.960 5.532 241 HB2 GLN 29 2HB GLN 29 6.017 -7.446 6.676 242 HB3 GLN 29 3HB GLN 29 6.363 -5.727 6.846 243 HG2 GLN 29 2HG GLN 29 5.586 -6.663 8.972 244 HG3 GLN 29 3HG GLN 29 4.435 -5.473 8.362 245 HE21 GLN 29 1HE2 GLN 29 2.608 -6.228 9.341 246 HE22 GLN 29 2HE2 GLN 29 1.908 -7.780 9.046 247 H VAL 30 H VAL 30 2.111 -5.730 5.847 248 HA VAL 30 HA VAL 30 1.994 -2.926 5.532 249 HB VAL 30 HB VAL 30 0.009 -4.664 7.072 250 HG11 VAL 30 1HG1 VAL 30 -0.357 -1.917 5.811 251 HG12 VAL 30 2HG1 VAL 30 -0.274 -2.262 7.540 252 HG13 VAL 30 3HG1 VAL 30 -1.621 -2.871 6.586 253 HG21 VAL 30 1HG2 VAL 30 0.316 -5.523 4.781 254 HG22 VAL 30 2HG2 VAL 30 -0.013 -3.919 4.121 255 HG23 VAL 30 3HG2 VAL 30 -1.284 -4.800 4.970 256 H ARG 31 H ARG 31 3.037 -1.565 6.795 257 HA ARG 31 HA ARG 31 3.735 -2.188 9.551 258 HB2 ARG 31 2HB ARG 31 5.442 -1.349 7.957 259 HB3 ARG 31 3HB ARG 31 4.551 0.159 7.789 260 HG2 ARG 31 2HG ARG 31 6.481 0.410 9.297 261 HG3 ARG 31 3HG ARG 31 4.963 0.694 10.154 262 HD2 ARG 31 2HD ARG 31 5.095 -1.736 10.948 263 HD3 ARG 31 3HD ARG 31 6.735 -1.770 10.287 264 HE ARG 31 HE ARG 31 7.356 -0.061 11.871 265 HH11 ARG 31 1HH1 ARG 31 4.259 -1.618 12.547 266 HH12 ARG 31 2HH1 ARG 31 4.270 -1.161 14.220 267 HH21 ARG 31 1HH2 ARG 31 7.325 0.537 14.061 268 HH22 ARG 31 2HH2 ARG 31 6.003 0.057 15.068 269 H ARG 32 H ARG 32 1.726 0.140 7.776 270 HA ARG 32 HA ARG 32 0.088 0.799 10.008 271 HB2 ARG 32 2HB ARG 32 2.274 2.097 10.473 272 HB3 ARG 32 3HB ARG 32 1.883 3.091 9.077 273 HG2 ARG 32 2HG ARG 32 0.042 4.107 10.164 274 HG3 ARG 32 3HG ARG 32 -0.093 2.810 11.354 275 HD2 ARG 32 2HD ARG 32 2.162 4.846 11.220 276 HD3 ARG 32 3HD ARG 32 0.812 4.881 12.361 277 HE ARG 32 HE ARG 32 1.734 2.521 12.980 278 HH11 ARG 32 1HH1 ARG 32 3.726 5.330 12.247 279 HH12 ARG 32 2HH1 ARG 32 5.049 4.793 13.232 280 HH21 ARG 32 1HH2 ARG 32 3.496 1.828 14.253 281 HH22 ARG 32 2HH2 ARG 32 4.918 2.818 14.362 282 H VAL 33 H VAL 33 -1.524 2.561 9.366 283 HA VAL 33 HA VAL 33 -1.875 2.960 6.462 284 HB VAL 33 HB VAL 33 -4.059 1.803 8.282 285 HG11 VAL 33 1HG1 VAL 33 -4.202 2.506 5.327 286 HG12 VAL 33 2HG1 VAL 33 -5.016 3.360 6.639 287 HG13 VAL 33 3HG1 VAL 33 -5.474 1.701 6.253 288 HG21 VAL 33 1HG2 VAL 33 -2.441 0.074 7.652 289 HG22 VAL 33 2HG2 VAL 33 -2.626 0.495 5.947 290 HG23 VAL 33 3HG2 VAL 33 -3.983 -0.196 6.839 291 H GLN 34 H GLN 34 -2.215 5.137 6.205 292 HA GLN 34 HA GLN 34 -3.707 6.675 8.248 293 HB2 GLN 34 2HB GLN 34 -2.242 7.728 5.783 294 HB3 GLN 34 3HB GLN 34 -2.942 8.692 7.078 295 HG2 GLN 34 2HG GLN 34 -0.482 6.934 7.180 296 HG3 GLN 34 3HG GLN 34 -0.581 8.675 7.412 297 HE21 GLN 34 1HE2 GLN 34 -0.833 5.572 8.894 298 HE22 GLN 34 2HE2 GLN 34 -1.106 6.121 10.514 299 H LYS 35 H LYS 35 -5.868 6.593 7.935 300 HA LYS 35 HA LYS 35 -7.027 6.462 5.219 301 HB2 LYS 35 2HB LYS 35 -7.656 4.800 7.093 302 HB3 LYS 35 3HB LYS 35 -8.459 6.133 7.903 303 HG2 LYS 35 2HG LYS 35 -9.202 5.135 5.130 304 HG3 LYS 35 3HG LYS 35 -9.970 4.569 6.610 305 HD2 LYS 35 2HD LYS 35 -10.769 6.884 7.061 306 HD3 LYS 35 3HD LYS 35 -10.011 7.434 5.566 307 HE2 LYS 35 2HE LYS 35 -12.291 5.443 5.795 308 HE3 LYS 35 3HE LYS 35 -12.409 7.115 5.239 309 HZ1 LYS 35 1HZ LYS 35 -10.993 6.552 3.361 310 HZ2 LYS 35 2HZ LYS 35 -12.368 5.570 3.396 311 HZ3 LYS 35 3HZ LYS 35 -10.882 4.949 3.897 312 H GLN 36 H GLN 36 -7.264 8.511 4.399 313 HA GLN 36 HA GLN 36 -8.692 10.553 6.013 314 HB2 GLN 36 2HB GLN 36 -6.341 10.985 4.123 315 HB3 GLN 36 3HB GLN 36 -7.400 12.296 4.625 316 HG2 GLN 36 2HG GLN 36 -5.677 10.607 6.471 317 HG3 GLN 36 3HG GLN 36 -5.326 12.251 5.946 318 HE21 GLN 36 1HE2 GLN 36 -6.667 13.968 6.749 319 HE22 GLN 36 2HE2 GLN 36 -7.581 13.778 8.204 320 H GLY 37 H GLY 37 -10.691 10.210 5.216 321 HA2 GLY 37 2HA GLY 37 -12.502 10.581 3.893 322 HA3 GLY 37 3HA GLY 37 -11.452 11.491 2.815 323 H ASN 38 H ASN 38 -11.460 10.708 0.814 324 HA ASN 38 HA ASN 38 -12.367 8.052 0.130 325 HB2 ASN 38 2HB ASN 38 -11.130 10.195 -1.667 326 HB3 ASN 38 3HB ASN 38 -12.008 8.768 -2.208 327 HD21 ASN 38 1HD2 ASN 38 -14.256 8.727 -2.035 328 HD22 ASN 38 2HD2 ASN 38 -15.190 10.140 -1.701 329 H THR 39 H THR 39 -9.245 9.677 0.450 330 HA THR 39 HA THR 39 -7.790 7.523 -0.902 331 HB THR 39 HB THR 39 -6.777 10.096 0.363 332 HG1 THR 39 HG1 THR 39 -8.127 9.993 -1.729 333 HG21 THR 39 1HG2 THR 39 -4.962 8.392 0.344 334 HG22 THR 39 2HG2 THR 39 -4.646 9.644 -0.853 335 HG23 THR 39 3HG2 THR 39 -5.270 8.083 -1.378 336 H ILE 40 H ILE 40 -6.985 5.864 0.138 337 HA ILE 40 HA ILE 40 -6.362 6.004 3.028 338 HB ILE 40 HB ILE 40 -7.034 3.517 1.374 339 HG12 ILE 40 2HG1 ILE 40 -8.752 5.064 3.373 340 HG13 ILE 40 3HG1 ILE 40 -9.058 4.854 1.654 341 HG21 ILE 40 1HG2 ILE 40 -5.481 3.038 3.223 342 HG22 ILE 40 2HG2 ILE 40 -7.061 2.324 3.538 343 HG23 ILE 40 3HG2 ILE 40 -6.585 3.807 4.369 344 HD11 ILE 40 1HD1 ILE 40 -9.143 2.668 3.739 345 HD12 ILE 40 2HD1 ILE 40 -9.439 2.469 2.008 346 HD13 ILE 40 3HD1 ILE 40 -10.522 3.464 2.978 347 H ARG 41 H ARG 41 -4.257 6.474 3.094 348 HA ARG 41 HA ARG 41 -2.249 5.369 1.311 349 HB2 ARG 41 2HB ARG 41 -2.025 7.069 3.844 350 HB3 ARG 41 3HB ARG 41 -0.654 6.590 2.844 351 HG2 ARG 41 2HG ARG 41 -1.702 7.833 0.932 352 HG3 ARG 41 3HG ARG 41 -2.947 8.407 2.043 353 HD2 ARG 41 2HD ARG 41 -1.326 9.617 3.351 354 HD3 ARG 41 3HD ARG 41 0.025 8.880 2.483 355 HE ARG 41 HE ARG 41 -1.374 10.157 0.527 356 HH11 ARG 41 1HH1 ARG 41 -0.033 11.277 3.598 357 HH12 ARG 41 2HH1 ARG 41 0.224 12.894 3.018 358 HH21 ARG 41 1HH2 ARG 41 -0.973 12.242 -0.223 359 HH22 ARG 41 2HH2 ARG 41 -0.307 13.443 0.847 360 H VAL 42 H VAL 42 -1.139 3.508 1.723 361 HA VAL 42 HA VAL 42 -1.226 2.352 4.461 362 HB VAL 42 HB VAL 42 -0.896 0.762 1.866 363 HG11 VAL 42 1HG1 VAL 42 -1.381 -0.168 4.723 364 HG12 VAL 42 2HG1 VAL 42 0.138 -0.298 3.836 365 HG13 VAL 42 3HG1 VAL 42 -1.271 -1.216 3.302 366 HG21 VAL 42 1HG2 VAL 42 -3.390 1.098 3.573 367 HG22 VAL 42 2HG2 VAL 42 -3.206 -0.068 2.257 368 HG23 VAL 42 3HG2 VAL 42 -3.162 1.663 1.910 369 H GLU 43 H GLU 43 0.652 2.645 5.379 370 HA GLU 43 HA GLU 43 3.188 2.769 3.970 371 HB2 GLU 43 2HB GLU 43 2.559 2.699 6.966 372 HB3 GLU 43 3HB GLU 43 4.136 3.022 6.265 373 HG2 GLU 43 2HG GLU 43 3.195 5.112 6.988 374 HG3 GLU 43 3HG GLU 43 3.214 5.099 5.228 375 H LEU 44 H LEU 44 3.691 0.747 3.111 376 HA LEU 44 HA LEU 44 3.796 -1.562 4.988 377 HB2 LEU 44 2HB LEU 44 4.196 -1.893 2.004 378 HB3 LEU 44 3HB LEU 44 3.692 -3.072 3.200 379 HG LEU 44 HG LEU 44 1.514 -1.497 3.321 380 HD11 LEU 44 1HD1 LEU 44 0.900 -0.547 1.169 381 HD12 LEU 44 2HD1 LEU 44 2.467 -0.998 0.494 382 HD13 LEU 44 3HD1 LEU 44 2.372 0.202 1.785 383 HD21 LEU 44 1HD2 LEU 44 1.933 -3.513 1.097 384 HD22 LEU 44 2HD2 LEU 44 0.375 -2.946 1.709 385 HD23 LEU 44 3HD2 LEU 44 1.448 -3.871 2.756 386 H GLU 45 H GLU 45 5.800 -3.010 4.466 387 HA GLU 45 HA GLU 45 8.137 -1.216 4.175 388 HB2 GLU 45 2HB GLU 45 7.646 -1.713 6.528 389 HB3 GLU 45 3HB GLU 45 7.752 -3.441 6.204 390 HG2 GLU 45 2HG GLU 45 10.094 -3.368 5.882 391 HG3 GLU 45 3HG GLU 45 10.101 -1.621 5.627 392 H LEU 46 H LEU 46 9.560 -1.841 2.770 393 HA LEU 46 HA LEU 46 9.361 -4.429 1.395 394 HB2 LEU 46 2HB LEU 46 9.162 -2.298 0.116 395 HB3 LEU 46 3HB LEU 46 10.756 -1.810 0.649 396 HG LEU 46 HG LEU 46 10.413 -4.338 -0.998 397 HD11 LEU 46 1HD1 LEU 46 10.696 -1.574 -2.198 398 HD12 LEU 46 2HD1 LEU 46 9.253 -2.589 -2.268 399 HD13 LEU 46 3HD1 LEU 46 10.732 -3.110 -3.073 400 HD21 LEU 46 1HD2 LEU 46 12.706 -3.832 -1.762 401 HD22 LEU 46 2HD2 LEU 46 12.620 -3.999 -0.012 402 HD23 LEU 46 3HD2 LEU 46 12.727 -2.393 -0.737 403 H ARG 47 H ARG 47 10.729 -5.956 2.096 404 HA ARG 47 HA ARG 47 13.376 -5.244 3.248 405 HB2 ARG 47 2HB ARG 47 11.571 -7.586 4.021 406 HB3 ARG 47 3HB ARG 47 13.167 -7.264 4.690 407 HG2 ARG 47 2HG ARG 47 12.319 -5.184 5.725 408 HG3 ARG 47 3HG ARG 47 10.718 -5.492 5.037 409 HD2 ARG 47 2HD ARG 47 10.593 -7.611 6.329 410 HD3 ARG 47 3HD ARG 47 12.177 -7.271 7.031 411 HE ARG 47 HE ARG 47 10.340 -5.135 7.514 412 HH11 ARG 47 1HH1 ARG 47 11.188 -8.372 8.642 413 HH12 ARG 47 2HH1 ARG 47 10.543 -8.116 10.232 414 HH21 ARG 47 1HH2 ARG 47 9.469 -4.839 9.600 415 HH22 ARG 47 2HH2 ARG 47 9.570 -6.113 10.773 416 H THR 48 H THR 48 14.807 -5.715 1.582 417 HA THR 48 HA THR 48 15.205 -8.495 0.869 418 HB THR 48 HB THR 48 13.553 -7.855 -0.872 419 HG1 THR 48 HG1 THR 48 14.998 -9.361 -1.531 420 HG21 THR 48 1HG2 THR 48 14.048 -6.238 -2.636 421 HG22 THR 48 2HG2 THR 48 15.581 -5.829 -1.861 422 HG23 THR 48 3HG2 THR 48 14.059 -5.430 -1.066 423 H ASN 49 H ASN 49 17.359 -8.897 0.557 424 HA ASN 49 HA ASN 49 19.620 -8.646 0.411 425 HB2 ASN 49 2HB ASN 49 18.845 -6.225 -1.283 426 HB3 ASN 49 3HB ASN 49 20.493 -6.834 -1.144 427 HD21 ASN 49 1HD2 ASN 49 17.266 -7.574 -2.333 428 HD22 ASN 49 2HD2 ASN 49 17.764 -8.780 -3.460 429 H GLY 50 H GLY 50 18.153 -7.270 2.665 430 HA2 GLY 50 2HA GLY 50 18.915 -6.210 4.599 431 HA3 GLY 50 3HA GLY 50 20.372 -5.721 3.757 432 H LYS 51 H LYS 51 17.840 -4.894 1.807 433 HA LYS 51 HA LYS 51 17.812 -2.087 2.561 434 HB2 LYS 51 2HB LYS 51 16.294 -3.556 0.341 435 HB3 LYS 51 3HB LYS 51 16.427 -1.802 0.508 436 HG2 LYS 51 2HG LYS 51 18.809 -3.632 0.095 437 HG3 LYS 51 3HG LYS 51 17.927 -2.896 -1.240 438 HD2 LYS 51 2HD LYS 51 19.187 -1.223 0.967 439 HD3 LYS 51 3HD LYS 51 20.103 -1.752 -0.444 440 HE2 LYS 51 2HE LYS 51 19.304 0.508 -0.814 441 HE3 LYS 51 3HE LYS 51 18.467 -0.581 -1.916 442 HZ1 LYS 51 1HZ LYS 51 16.519 -0.483 -0.520 443 HZ2 LYS 51 2HZ LYS 51 17.005 1.094 -0.881 444 HZ3 LYS 51 3HZ LYS 51 17.336 0.436 0.635 445 H LYS 52 H LYS 52 16.258 -1.191 3.795 446 HA LYS 52 HA LYS 52 13.655 -2.518 4.247 447 HB2 LYS 52 2HB LYS 52 15.163 -3.164 6.113 448 HB3 LYS 52 3HB LYS 52 15.569 -1.476 6.394 449 HG2 LYS 52 2HG LYS 52 13.143 -1.079 6.993 450 HG3 LYS 52 3HG LYS 52 12.894 -2.828 6.887 451 HD2 LYS 52 2HD LYS 52 14.596 -3.173 8.671 452 HD3 LYS 52 3HD LYS 52 14.855 -1.430 8.762 453 HE2 LYS 52 2HE LYS 52 12.498 -1.144 9.467 454 HE3 LYS 52 3HE LYS 52 12.285 -2.895 9.429 455 HZ1 LYS 52 1HZ LYS 52 14.084 -3.029 11.108 456 HZ2 LYS 52 2HZ LYS 52 12.703 -2.225 11.654 457 HZ3 LYS 52 3HZ LYS 52 14.077 -1.343 11.213 458 H GLU 53 H GLU 53 12.504 -0.992 3.144 459 HA GLU 53 HA GLU 53 12.494 1.795 4.133 460 HB2 GLU 53 2HB GLU 53 12.634 0.997 1.185 461 HB3 GLU 53 3HB GLU 53 12.224 2.615 1.755 462 HG2 GLU 53 2HG GLU 53 14.432 2.831 2.800 463 HG3 GLU 53 3HG GLU 53 14.850 1.198 2.281 464 H ASN 54 H ASN 54 10.494 2.515 4.499 465 HA ASN 54 HA ASN 54 8.183 0.862 3.909 466 HB2 ASN 54 2HB ASN 54 8.544 3.428 5.512 467 HB3 ASN 54 3HB ASN 54 6.955 2.729 5.210 468 HD21 ASN 54 1HD2 ASN 54 10.024 2.240 6.853 469 HD22 ASN 54 2HD2 ASN 54 9.473 0.994 7.912 470 H TYR 55 H TYR 55 6.871 1.127 2.229 471 HA TYR 55 HA TYR 55 6.926 3.596 0.612 472 HB2 TYR 55 2HB TYR 55 6.104 0.734 -0.036 473 HB3 TYR 55 3HB TYR 55 5.747 2.085 -1.104 474 HD1 TYR 55 HD1 TYR 55 7.200 2.383 -2.885 475 HD2 TYR 55 HD2 TYR 55 8.761 0.655 0.695 476 HE1 TYR 55 HE1 TYR 55 9.384 2.080 -3.982 477 HE2 TYR 55 HE2 TYR 55 10.947 0.367 -0.392 478 HH TYR 55 HH TYR 55 11.872 0.161 -2.648 479 H THR 56 H THR 56 5.323 4.909 1.019 480 HA THR 56 HA THR 56 2.728 4.142 2.067 481 HB THR 56 HB THR 56 3.938 6.819 1.248 482 HG1 THR 56 HG1 THR 56 3.415 5.609 3.770 483 HG21 THR 56 1HG2 THR 56 1.480 6.952 1.026 484 HG22 THR 56 2HG2 THR 56 2.039 7.892 2.406 485 HG23 THR 56 3HG2 THR 56 1.295 6.318 2.674 486 H VAL 57 H VAL 57 1.606 3.063 0.553 487 HA VAL 57 HA VAL 57 1.436 3.984 -2.224 488 HB VAL 57 HB VAL 57 0.139 1.531 -0.936 489 HG11 VAL 57 1HG1 VAL 57 0.552 2.218 -3.874 490 HG12 VAL 57 2HG1 VAL 57 -0.985 2.248 -3.010 491 HG13 VAL 57 3HG1 VAL 57 -0.145 0.716 -3.257 492 HG21 VAL 57 1HG2 VAL 57 1.962 0.190 -1.925 493 HG22 VAL 57 2HG2 VAL 57 2.600 1.371 -0.777 494 HG23 VAL 57 3HG2 VAL 57 2.740 1.662 -2.512 495 H GLU 58 H GLU 58 0.115 5.675 -2.389 496 HA GLU 58 HA GLU 58 -2.282 6.105 -0.828 497 HB2 GLU 58 2HB GLU 58 -1.336 7.531 -3.361 498 HB3 GLU 58 3HB GLU 58 -2.538 8.124 -2.211 499 HG2 GLU 58 2HG GLU 58 -0.786 8.329 -0.485 500 HG3 GLU 58 3HG GLU 58 0.410 7.698 -1.618 501 H VAL 59 H VAL 59 -4.030 4.849 -1.248 502 HA VAL 59 HA VAL 59 -4.850 4.371 -4.070 503 HB VAL 59 HB VAL 59 -5.510 2.502 -1.764 504 HG11 VAL 59 1HG1 VAL 59 -6.097 0.884 -3.537 505 HG12 VAL 59 2HG1 VAL 59 -5.710 2.101 -4.758 506 HG13 VAL 59 3HG1 VAL 59 -7.051 2.367 -3.642 507 HG21 VAL 59 1HG2 VAL 59 -3.069 2.431 -1.994 508 HG22 VAL 59 2HG2 VAL 59 -3.222 2.128 -3.730 509 HG23 VAL 59 3HG2 VAL 59 -3.780 0.918 -2.570 510 H GLU 60 H GLU 60 -6.628 5.520 -4.475 511 HA GLU 60 HA GLU 60 -8.394 6.469 -2.305 512 HB2 GLU 60 2HB GLU 60 -7.420 8.213 -3.670 513 HB3 GLU 60 3HB GLU 60 -7.880 7.392 -5.159 514 HG2 GLU 60 2HG GLU 60 -10.312 7.771 -4.473 515 HG3 GLU 60 3HG GLU 60 -9.693 8.806 -3.182 516 H ARG 61 H ARG 61 -10.641 6.194 -2.441 517 HA ARG 61 HA ARG 61 -11.633 3.953 -3.983 518 HB2 ARG 61 2HB ARG 61 -12.311 4.407 -1.587 519 HB3 ARG 61 3HB ARG 61 -13.183 5.832 -2.136 520 HG2 ARG 61 2HG ARG 61 -14.635 3.842 -1.751 521 HG3 ARG 61 3HG ARG 61 -14.746 4.488 -3.388 522 HD2 ARG 61 2HD ARG 61 -14.203 2.460 -4.247 523 HD3 ARG 61 3HD ARG 61 -12.686 2.447 -3.358 524 HE ARG 61 HE ARG 61 -14.473 1.660 -1.489 525 HH11 ARG 61 1HH1 ARG 61 -13.802 0.526 -4.766 526 HH12 ARG 61 2HH1 ARG 61 -14.252 -1.109 -4.418 527 HH21 ARG 61 1HH2 ARG 61 -14.934 -0.537 -1.035 528 HH22 ARG 61 2HH2 ARG 61 -14.888 -1.710 -2.322 529 H GLN 62 H GLN 62 -12.191 4.244 -6.030 530 HA GLN 62 HA GLN 62 -13.589 6.704 -6.929 531 HB2 GLN 62 2HB GLN 62 -11.235 6.361 -7.842 532 HB3 GLN 62 3HB GLN 62 -11.796 4.898 -8.624 533 HG2 GLN 62 2HG GLN 62 -11.737 6.642 -10.272 534 HG3 GLN 62 3HG GLN 62 -13.425 6.278 -9.935 535 HE21 GLN 62 1HE2 GLN 62 -12.144 8.693 -11.080 536 HE22 GLN 62 2HE2 GLN 62 -12.657 10.016 -10.092 537 H GLY 63 H GLY 63 -15.602 5.803 -6.420 538 HA2 GLY 63 2HA GLY 63 -17.564 4.684 -6.844 539 HA3 GLY 63 3HA GLY 63 -16.859 4.119 -8.357 540 H ASN 64 H ASN 64 -17.158 1.967 -8.375 541 HA ASN 64 HA ASN 64 -17.020 0.292 -6.009 542 HB2 ASN 64 2HB ASN 64 -17.437 -0.391 -8.953 543 HB3 ASN 64 3HB ASN 64 -17.433 -1.590 -7.664 544 HD21 ASN 64 1HD2 ASN 64 -19.549 -2.208 -8.078 545 HD22 ASN 64 2HD2 ASN 64 -20.908 -1.202 -7.715 546 H THR 65 H THR 65 -14.588 1.640 -7.836 547 HA THR 65 HA THR 65 -12.806 -0.737 -7.662 548 HB THR 65 HB THR 65 -11.461 0.274 -9.485 549 HG1 THR 65 HG1 THR 65 -12.515 2.510 -8.883 550 HG21 THR 65 1HG2 THR 65 -13.049 -0.039 -11.356 551 HG22 THR 65 2HG2 THR 65 -14.405 0.066 -10.231 552 HG23 THR 65 3HG2 THR 65 -13.272 -1.283 -10.124 553 H TRP 66 H TRP 66 -10.742 -0.460 -6.785 554 HA TRP 66 HA TRP 66 -10.094 2.058 -5.387 555 HB2 TRP 66 2HB TRP 66 -8.930 -0.761 -5.225 556 HB3 TRP 66 3HB TRP 66 -8.167 0.623 -4.451 557 HD1 TRP 66 HD1 TRP 66 -10.834 -1.943 -3.854 558 HE1 TRP 66 HE1 TRP 66 -12.036 -1.441 -1.641 559 HE3 TRP 66 HE3 TRP 66 -9.013 2.759 -2.940 560 HZ2 TRP 66 HZ2 TRP 66 -12.221 0.628 0.226 561 HZ3 TRP 66 HZ3 TRP 66 -9.775 3.938 -0.911 562 HH2 TRP 66 HH2 TRP 66 -11.353 2.889 0.636 563 H THR 67 H THR 67 -8.861 3.484 -6.449 564 HA THR 67 HA THR 67 -7.111 2.607 -8.664 565 HB THR 67 HB THR 67 -8.769 4.271 -9.350 566 HG1 THR 67 HG1 THR 67 -6.549 4.345 -10.167 567 HG21 THR 67 1HG2 THR 67 -9.173 5.430 -7.183 568 HG22 THR 67 2HG2 THR 67 -8.825 6.579 -8.475 569 HG23 THR 67 3HG2 THR 67 -7.575 6.182 -7.298 570 H VAL 68 H VAL 68 -4.986 2.474 -8.242 571 HA VAL 68 HA VAL 68 -3.781 3.578 -5.862 572 HB VAL 68 HB VAL 68 -2.384 2.254 -8.243 573 HG11 VAL 68 1HG1 VAL 68 -1.375 2.739 -5.410 574 HG12 VAL 68 2HG1 VAL 68 -0.839 3.590 -6.860 575 HG13 VAL 68 3HG1 VAL 68 -0.505 1.868 -6.678 576 HG21 VAL 68 1HG2 VAL 68 -4.050 0.731 -7.221 577 HG22 VAL 68 2HG2 VAL 68 -3.311 0.973 -5.636 578 HG23 VAL 68 3HG2 VAL 68 -2.402 0.172 -6.921 579 H LYS 69 H LYS 69 -3.535 5.704 -5.777 580 HA LYS 69 HA LYS 69 -3.311 7.469 -7.968 581 HB2 LYS 69 2HB LYS 69 -2.510 8.012 -5.071 582 HB3 LYS 69 3HB LYS 69 -2.891 9.219 -6.297 583 HG2 LYS 69 2HG LYS 69 -4.830 7.222 -5.086 584 HG3 LYS 69 3HG LYS 69 -4.731 8.938 -4.694 585 HD2 LYS 69 2HD LYS 69 -5.452 7.835 -7.438 586 HD3 LYS 69 3HD LYS 69 -6.626 8.310 -6.219 587 HE2 LYS 69 2HE LYS 69 -6.553 10.194 -7.592 588 HE3 LYS 69 3HE LYS 69 -5.422 10.644 -6.318 589 HZ1 LYS 69 1HZ LYS 69 -3.586 10.060 -7.759 590 HZ2 LYS 69 2HZ LYS 69 -4.606 11.130 -8.579 591 HZ3 LYS 69 3HZ LYS 69 -4.642 9.480 -8.947 592 H ARG 70 H ARG 70 -0.862 6.535 -5.501 593 HA ARG 70 HA ARG 70 1.233 6.219 -7.410 594 HB2 ARG 70 2HB ARG 70 1.090 8.729 -7.317 595 HB3 ARG 70 3HB ARG 70 1.448 8.671 -5.594 596 HG2 ARG 70 2HG ARG 70 3.675 7.784 -6.039 597 HG3 ARG 70 3HG ARG 70 3.320 7.647 -7.763 598 HD2 ARG 70 2HD ARG 70 3.099 10.106 -7.905 599 HD3 ARG 70 3HD ARG 70 3.444 10.236 -6.180 600 HE ARG 70 HE ARG 70 5.475 8.901 -7.779 601 HH11 ARG 70 1HH1 ARG 70 4.423 11.960 -6.389 602 HH12 ARG 70 2HH1 ARG 70 5.995 12.686 -6.480 603 HH21 ARG 70 1HH2 ARG 70 7.530 9.883 -7.924 604 HH22 ARG 70 2HH2 ARG 70 7.755 11.508 -7.351 605 H ILE 71 H ILE 71 2.748 4.908 -6.599 606 HA ILE 71 HA ILE 71 2.824 4.155 -3.774 607 HB ILE 71 HB ILE 71 4.492 3.175 -6.149 608 HG12 ILE 71 2HG1 ILE 71 2.102 1.839 -4.804 609 HG13 ILE 71 3HG1 ILE 71 2.071 2.642 -6.370 610 HG21 ILE 71 1HG2 ILE 71 4.303 1.999 -3.351 611 HG22 ILE 71 2HG2 ILE 71 5.703 2.817 -4.045 612 HG23 ILE 71 3HG2 ILE 71 5.163 1.275 -4.711 613 HD11 ILE 71 1HD1 ILE 71 2.153 0.277 -6.671 614 HD12 ILE 71 2HD1 ILE 71 3.594 0.136 -5.666 615 HD13 ILE 71 3HD1 ILE 71 3.675 0.972 -7.221 616 H THR 72 H THR 72 3.882 5.590 -2.530 617 HA THR 72 HA THR 72 6.205 7.094 -3.568 618 HB THR 72 HB THR 72 4.441 7.758 -1.166 619 HG1 THR 72 HG1 THR 72 3.270 7.793 -3.184 620 HG21 THR 72 1HG2 THR 72 6.692 8.841 -1.139 621 HG22 THR 72 2HG2 THR 72 5.402 10.022 -1.365 622 HG23 THR 72 3HG2 THR 72 6.369 9.514 -2.747 623 H ARG 73 H ARG 73 8.095 6.195 -2.915 624 HA ARG 73 HA ARG 73 8.488 4.631 -0.559 625 HB2 ARG 73 2HB ARG 73 9.969 4.470 -2.560 626 HB3 ARG 73 3HB ARG 73 10.530 6.116 -2.280 627 HG2 ARG 73 2HG ARG 73 11.372 5.275 0.005 628 HG3 ARG 73 3HG ARG 73 11.058 3.647 -0.597 629 HD2 ARG 73 2HD ARG 73 12.890 5.646 -1.956 630 HD3 ARG 73 3HD ARG 73 13.435 4.420 -0.810 631 HE ARG 73 HE ARG 73 11.955 3.341 -3.039 632 HH11 ARG 73 1HH1 ARG 73 15.172 4.297 -1.933 633 HH12 ARG 73 2HH1 ARG 73 15.987 3.285 -3.080 634 HH21 ARG 73 1HH2 ARG 73 13.048 2.016 -4.514 635 HH22 ARG 73 2HH2 ARG 73 14.786 1.994 -4.545 636 H THR 74 H THR 74 9.402 5.250 1.432 637 HA THR 74 HA THR 74 9.243 7.836 2.520 638 HB THR 74 HB THR 74 9.422 5.863 3.976 639 HG1 THR 74 HG1 THR 74 11.112 6.636 5.376 640 HG21 THR 74 1HG2 THR 74 11.524 4.585 4.239 641 HG22 THR 74 2HG2 THR 74 12.261 5.516 2.933 642 HG23 THR 74 3HG2 THR 74 10.905 4.438 2.592 643 H VAL 75 H VAL 75 10.949 9.392 2.973 644 HA VAL 75 HA VAL 75 12.895 9.765 0.936 645 HB VAL 75 HB VAL 75 12.048 11.734 2.037 646 HG11 VAL 75 1HG1 VAL 75 13.208 10.756 4.668 647 HG12 VAL 75 2HG1 VAL 75 11.496 10.848 4.256 648 HG13 VAL 75 3HG1 VAL 75 12.448 12.327 4.391 649 HG21 VAL 75 1HG2 VAL 75 14.974 11.405 2.799 650 HG22 VAL 75 2HG2 VAL 75 14.121 12.937 2.598 651 HG23 VAL 75 3HG2 VAL 75 14.364 11.877 1.211 652 H GLY 76 H GLY 76 14.341 8.210 0.694 653 HA2 GLY 76 2HA GLY 76 16.231 7.523 2.874 654 HA3 GLY 76 3HA GLY 76 15.479 6.263 1.896 655 H SER 77 H SER 77 15.601 8.135 -0.508 656 HA SER 77 HA SER 77 18.123 7.328 -1.554 657 HB2 SER 77 2HB SER 77 16.126 7.660 -2.997 658 HB3 SER 77 3HB SER 77 16.149 9.390 -2.646 659 HG SER 77 HG SER 77 17.191 8.674 -4.651 660 H LEU 78 H LEU 78 20.039 8.356 -1.497 661 HA LEU 78 HA LEU 78 20.592 10.504 0.226 662 HB2 LEU 78 2HB LEU 78 22.281 8.829 -0.376 663 HB3 LEU 78 3HB LEU 78 22.238 9.341 -2.054 664 HG LEU 78 HG LEU 78 23.201 11.571 -1.366 665 HD11 LEU 78 1HD1 LEU 78 22.448 11.670 0.937 666 HD12 LEU 78 2HD1 LEU 78 24.199 11.841 0.858 667 HD13 LEU 78 3HD1 LEU 78 23.487 10.307 1.370 668 HD21 LEU 78 1HD2 LEU 78 24.885 9.163 -0.612 669 HD22 LEU 78 2HD2 LEU 78 25.497 10.774 -0.999 670 HD23 LEU 78 3HD2 LEU 78 24.671 9.829 -2.234 671 H GLU 79 H GLU 79 19.981 10.397 -3.256 672 HA GLU 79 HA GLU 79 20.872 13.084 -3.805 673 HB2 GLU 79 2HB GLU 79 20.213 12.677 -6.101 674 HB3 GLU 79 3HB GLU 79 21.047 11.248 -5.503 675 HG2 GLU 79 2HG GLU 79 19.066 9.972 -5.402 676 HG3 GLU 79 3HG GLU 79 18.031 11.395 -5.442 677 H HIS 80 H HIS 80 18.232 12.167 -2.136 678 HA HIS 80 HA HIS 80 15.932 13.195 -3.181 679 HB2 HIS 80 2HB HIS 80 15.937 12.098 -0.995 680 HB3 HIS 80 3HB HIS 80 16.891 13.401 -0.288 681 HD1 HIS 80 HD1 HIS 80 13.403 12.573 -1.449 682 HD2 HIS 80 HD2 HIS 80 15.385 15.650 0.523 683 HE1 HIS 80 HE1 HIS 80 11.609 14.053 -0.514 684 HE2 HIS 80 HE2 HIS 80 12.831 15.974 0.546 685 H HIS 81 H HIS 81 15.709 15.001 -4.241 686 HA HIS 81 HA HIS 81 17.213 17.388 -3.928 687 HB2 HIS 81 2HB HIS 81 14.575 16.878 -5.381 688 HB3 HIS 81 3HB HIS 81 15.543 18.339 -5.548 689 HD1 HIS 81 HD1 HIS 81 17.083 18.309 -7.513 690 HD2 HIS 81 HD2 HIS 81 16.166 14.461 -6.246 691 HE1 HIS 81 HE1 HIS 81 18.201 16.766 -9.146 692 HE2 HIS 81 HE2 HIS 81 17.755 14.459 -8.267 693 H HIS 82 H HIS 82 16.606 19.386 -3.001 694 HA HIS 82 HA HIS 82 15.293 19.157 -0.500 695 HB2 HIS 82 2HB HIS 82 16.317 21.605 -1.995 696 HB3 HIS 82 3HB HIS 82 15.631 21.689 -0.374 697 HD1 HIS 82 HD1 HIS 82 17.329 21.568 1.437 698 HD2 HIS 82 HD2 HIS 82 18.626 19.616 -1.995 699 HE1 HIS 82 HE1 HIS 82 19.646 20.758 1.951 700 HE2 HIS 82 HE2 HIS 82 20.419 19.622 -0.147 701 H HIS 83 H HIS 83 13.255 18.631 -0.590 702 HA HIS 83 HA HIS 83 11.160 20.441 -1.261 703 HB2 HIS 83 2HB HIS 83 11.582 19.633 -3.561 704 HB3 HIS 83 3HB HIS 83 11.552 17.961 -3.016 705 HD1 HIS 83 HD1 HIS 83 9.277 20.896 -3.651 706 HD2 HIS 83 HD2 HIS 83 9.010 16.827 -2.868 707 HE1 HIS 83 HE1 HIS 83 6.862 20.297 -3.979 708 HE2 HIS 83 HE2 HIS 83 6.702 17.890 -3.276 709 H HIS 84 H HIS 84 9.678 20.032 0.232 710 HA HIS 84 HA HIS 84 9.613 17.477 1.687 711 HB2 HIS 84 2HB HIS 84 8.268 20.162 2.254 712 HB3 HIS 84 3HB HIS 84 8.091 18.732 3.266 713 HD1 HIS 84 HD1 HIS 84 9.675 18.606 5.162 714 HD2 HIS 84 HD2 HIS 84 11.133 21.025 2.115 715 HE1 HIS 84 HE1 HIS 84 11.824 19.570 6.027 716 HE2 HIS 84 HE2 HIS 84 12.589 21.154 4.234 717 H HIS 85 H HIS 85 7.837 16.154 1.698 718 HA HIS 85 HA HIS 85 5.882 16.346 -0.401 719 HB2 HIS 85 2HB HIS 85 6.698 14.132 0.279 720 HB3 HIS 85 3HB HIS 85 6.159 14.391 1.935 721 HD1 HIS 85 HD1 HIS 85 3.586 14.329 2.364 722 HD2 HIS 85 HD2 HIS 85 4.716 13.191 -1.469 723 HE1 HIS 85 HE1 HIS 85 1.582 13.202 1.379 724 HE2 HIS 85 HE2 HIS 85 2.349 12.367 -0.860 Start of MODEL 10 1 H1 MET 1 1H MET 1 -22.446 -2.966 4.460 2 H2 MET 1 2H MET 1 -21.815 -2.962 2.896 3 H3 MET 1 3H MET 1 -21.524 -1.657 3.925 4 HA MET 1 HA MET 1 -20.553 -4.423 4.310 5 HB2 MET 1 2HB MET 1 -18.999 -1.893 3.576 6 HB3 MET 1 3HB MET 1 -18.306 -3.495 3.802 7 HG2 MET 1 2HG MET 1 -19.470 -4.330 1.847 8 HG3 MET 1 3HG MET 1 -20.334 -2.808 1.664 9 HE1 MET 1 1HE MET 1 -17.962 -0.655 2.215 10 HE2 MET 1 2HE MET 1 -19.114 -0.493 0.887 11 HE3 MET 1 3HE MET 1 -17.384 -0.399 0.569 12 HA PRO 2 HA PRO 2 -21.204 -2.571 8.540 13 HB2 PRO 2 2HB PRO 2 -20.543 -5.414 9.325 14 HB3 PRO 2 3HB PRO 2 -21.911 -4.390 9.822 15 HG2 PRO 2 2HG PRO 2 -22.294 -6.364 8.086 16 HG3 PRO 2 3HG PRO 2 -23.119 -4.802 7.870 17 HD2 PRO 2 2HD PRO 2 -20.690 -5.866 6.430 18 HD3 PRO 2 3HD PRO 2 -22.096 -4.989 5.781 19 H SER 3 H SER 3 -18.629 -4.974 7.909 20 HA SER 3 HA SER 3 -16.749 -3.644 9.700 21 HB2 SER 3 2HB SER 3 -16.318 -5.993 7.796 22 HB3 SER 3 3HB SER 3 -15.222 -5.476 9.077 23 HG SER 3 HG SER 3 -17.811 -5.958 9.894 24 H GLU 4 H GLU 4 -16.196 -1.655 8.819 25 HA GLU 4 HA GLU 4 -15.589 -1.228 6.051 26 HB2 GLU 4 2HB GLU 4 -14.881 1.038 6.784 27 HB3 GLU 4 3HB GLU 4 -16.453 0.582 7.413 28 HG2 GLU 4 2HG GLU 4 -15.442 1.692 9.203 29 HG3 GLU 4 3HG GLU 4 -15.241 -0.012 9.601 30 H GLU 5 H GLU 5 -13.735 -2.351 8.774 31 HA GLU 5 HA GLU 5 -11.109 -2.258 7.903 32 HB2 GLU 5 2HB GLU 5 -12.631 -4.437 9.378 33 HB3 GLU 5 3HB GLU 5 -10.900 -4.558 9.085 34 HG2 GLU 5 2HG GLU 5 -12.249 -2.323 10.627 35 HG3 GLU 5 3HG GLU 5 -11.447 -3.720 11.345 36 H GLU 6 H GLU 6 -13.725 -4.200 6.593 37 HA GLU 6 HA GLU 6 -12.333 -6.079 5.074 38 HB2 GLU 6 2HB GLU 6 -14.789 -6.080 5.380 39 HB3 GLU 6 3HB GLU 6 -14.928 -4.622 4.408 40 HG2 GLU 6 2HG GLU 6 -15.596 -6.618 3.145 41 HG3 GLU 6 3HG GLU 6 -14.187 -5.837 2.425 42 H GLU 7 H GLU 7 -13.083 -2.663 4.397 43 HA GLU 7 HA GLU 7 -12.128 -2.566 1.741 44 HB2 GLU 7 2HB GLU 7 -12.195 -0.282 3.759 45 HB3 GLU 7 3HB GLU 7 -12.055 -0.114 2.011 46 HG2 GLU 7 2HG GLU 7 -14.436 -1.055 3.611 47 HG3 GLU 7 3HG GLU 7 -14.322 0.351 2.553 48 H LYS 8 H LYS 8 -10.526 -2.054 4.856 49 HA LYS 8 HA LYS 8 -7.991 -1.235 3.897 50 HB2 LYS 8 2HB LYS 8 -8.850 -2.561 6.499 51 HB3 LYS 8 3HB LYS 8 -7.156 -2.220 6.171 52 HG2 LYS 8 2HG LYS 8 -8.120 -0.494 7.579 53 HG3 LYS 8 3HG LYS 8 -7.648 0.183 6.019 54 HD2 LYS 8 2HD LYS 8 -9.954 0.283 5.288 55 HD3 LYS 8 3HD LYS 8 -10.500 -0.630 6.700 56 HE2 LYS 8 2HE LYS 8 -9.222 2.125 6.799 57 HE3 LYS 8 3HE LYS 8 -10.954 1.799 6.910 58 HZ1 LYS 8 1HZ LYS 8 -8.879 0.853 8.808 59 HZ2 LYS 8 2HZ LYS 8 -10.530 0.485 8.905 60 HZ3 LYS 8 3HZ LYS 8 -10.007 2.083 9.084 61 H ARG 9 H ARG 9 -9.358 -4.429 4.625 62 HA ARG 9 HA ARG 9 -7.131 -6.073 4.209 63 HB2 ARG 9 2HB ARG 9 -9.118 -6.993 5.203 64 HB3 ARG 9 3HB ARG 9 -10.116 -6.535 3.828 65 HG2 ARG 9 2HG ARG 9 -9.015 -8.235 2.439 66 HG3 ARG 9 3HG ARG 9 -7.962 -8.677 3.783 67 HD2 ARG 9 2HD ARG 9 -9.851 -9.492 5.068 68 HD3 ARG 9 3HD ARG 9 -10.989 -8.891 3.852 69 HE ARG 9 HE ARG 9 -9.583 -10.533 2.344 70 HH11 ARG 9 1HH1 ARG 9 -10.794 -11.161 5.597 71 HH12 ARG 9 2HH1 ARG 9 -10.940 -12.868 5.327 72 HH21 ARG 9 1HH2 ARG 9 -9.829 -12.750 2.009 73 HH22 ARG 9 2HH2 ARG 9 -10.394 -13.765 3.299 74 H GLN 10 H GLN 10 -9.545 -4.862 1.928 75 HA GLN 10 HA GLN 10 -8.574 -6.189 -0.396 76 HB2 GLN 10 2HB GLN 10 -10.377 -3.748 -0.106 77 HB3 GLN 10 3HB GLN 10 -10.100 -4.601 -1.622 78 HG2 GLN 10 2HG GLN 10 -11.170 -6.604 -0.772 79 HG3 GLN 10 3HG GLN 10 -11.283 -5.910 0.849 80 HE21 GLN 10 1HE2 GLN 10 -12.852 -4.281 1.235 81 HE22 GLN 10 2HE2 GLN 10 -14.170 -4.000 0.160 82 H VAL 11 H VAL 11 -8.065 -2.932 0.937 83 HA VAL 11 HA VAL 11 -6.695 -1.859 -1.333 84 HB VAL 11 HB VAL 11 -7.057 -0.866 1.534 85 HG11 VAL 11 1HG1 VAL 11 -5.743 0.624 -0.757 86 HG12 VAL 11 2HG1 VAL 11 -4.970 0.119 0.743 87 HG13 VAL 11 3HG1 VAL 11 -6.233 1.348 0.772 88 HG21 VAL 11 1HG2 VAL 11 -8.599 0.752 0.487 89 HG22 VAL 11 2HG2 VAL 11 -9.089 -0.906 0.152 90 HG23 VAL 11 3HG2 VAL 11 -8.280 0.043 -1.096 91 H LYS 12 H LYS 12 -5.578 -3.075 1.837 92 HA LYS 12 HA LYS 12 -2.811 -2.593 1.535 93 HB2 LYS 12 2HB LYS 12 -4.244 -4.764 3.126 94 HB3 LYS 12 3HB LYS 12 -2.515 -4.452 3.236 95 HG2 LYS 12 2HG LYS 12 -2.961 -2.199 4.121 96 HG3 LYS 12 3HG LYS 12 -4.700 -2.481 3.991 97 HD2 LYS 12 2HD LYS 12 -2.781 -4.090 5.728 98 HD3 LYS 12 3HD LYS 12 -3.864 -2.831 6.313 99 HE2 LYS 12 2HE LYS 12 -5.817 -4.185 5.628 100 HE3 LYS 12 3HE LYS 12 -4.737 -5.440 5.019 101 HZ1 LYS 12 1HZ LYS 12 -4.841 -4.533 7.844 102 HZ2 LYS 12 2HZ LYS 12 -3.926 -5.815 7.236 103 HZ3 LYS 12 3HZ LYS 12 -5.617 -5.913 7.252 104 H GLN 13 H GLN 13 -4.919 -5.258 0.533 105 HA GLN 13 HA GLN 13 -2.916 -7.039 -0.381 106 HB2 GLN 13 2HB GLN 13 -5.256 -7.773 -0.003 107 HB3 GLN 13 3HB GLN 13 -5.809 -6.758 -1.332 108 HG2 GLN 13 2HG GLN 13 -4.440 -8.130 -2.905 109 HG3 GLN 13 3HG GLN 13 -3.970 -9.163 -1.558 110 HE21 GLN 13 1HE2 GLN 13 -7.229 -7.825 -2.013 111 HE22 GLN 13 2HE2 GLN 13 -7.981 -9.341 -2.346 112 H VAL 14 H VAL 14 -4.930 -4.662 -2.158 113 HA VAL 14 HA VAL 14 -3.812 -4.931 -4.702 114 HB VAL 14 HB VAL 14 -4.941 -2.387 -3.418 115 HG11 VAL 14 1HG1 VAL 14 -4.566 -3.039 -6.365 116 HG12 VAL 14 2HG1 VAL 14 -3.692 -1.813 -5.444 117 HG13 VAL 14 3HG1 VAL 14 -5.425 -1.631 -5.735 118 HG21 VAL 14 1HG2 VAL 14 -6.566 -4.243 -3.367 119 HG22 VAL 14 2HG2 VAL 14 -6.375 -4.484 -5.098 120 HG23 VAL 14 3HG2 VAL 14 -7.090 -2.989 -4.490 121 H ALA 15 H ALA 15 -2.822 -2.919 -1.976 122 HA ALA 15 HA ALA 15 -0.808 -1.380 -3.216 123 HB1 ALA 15 1HB ALA 15 -0.206 -0.764 -0.908 124 HB2 ALA 15 2HB ALA 15 -1.196 -2.086 -0.282 125 HB3 ALA 15 3HB ALA 15 -1.952 -0.735 -1.134 126 H LYS 16 H LYS 16 -0.641 -4.345 -1.240 127 HA LYS 16 HA LYS 16 2.197 -4.464 -1.129 128 HB2 LYS 16 2HB LYS 16 1.935 -6.606 -0.030 129 HB3 LYS 16 3HB LYS 16 0.701 -5.510 0.568 130 HG2 LYS 16 2HG LYS 16 -0.950 -6.611 -0.935 131 HG3 LYS 16 3HG LYS 16 0.285 -7.774 -1.403 132 HD2 LYS 16 2HD LYS 16 -0.788 -7.366 1.423 133 HD3 LYS 16 3HD LYS 16 -1.234 -8.680 0.332 134 HE2 LYS 16 2HE LYS 16 1.532 -8.171 1.476 135 HE3 LYS 16 3HE LYS 16 0.421 -9.459 1.952 136 HZ1 LYS 16 1HZ LYS 16 0.591 -10.403 -0.237 137 HZ2 LYS 16 2HZ LYS 16 2.126 -10.233 0.425 138 HZ3 LYS 16 3HZ LYS 16 1.590 -9.146 -0.756 139 H GLU 17 H GLU 17 -0.228 -5.862 -3.280 140 HA GLU 17 HA GLU 17 1.420 -7.693 -4.632 141 HB2 GLU 17 2HB GLU 17 -1.072 -6.227 -5.589 142 HB3 GLU 17 3HB GLU 17 -0.286 -7.509 -6.497 143 HG2 GLU 17 2HG GLU 17 -1.680 -7.745 -3.829 144 HG3 GLU 17 3HG GLU 17 -2.167 -8.455 -5.358 145 H LYS 18 H LYS 18 0.767 -4.242 -5.215 146 HA LYS 18 HA LYS 18 2.151 -3.997 -7.674 147 HB2 LYS 18 2HB LYS 18 1.837 -1.821 -5.575 148 HB3 LYS 18 3HB LYS 18 2.120 -1.590 -7.291 149 HG2 LYS 18 2HG LYS 18 -0.410 -2.521 -5.930 150 HG3 LYS 18 3HG LYS 18 -0.162 -1.037 -6.831 151 HD2 LYS 18 2HD LYS 18 -0.202 -3.840 -8.030 152 HD3 LYS 18 3HD LYS 18 -1.536 -2.688 -8.077 153 HE2 LYS 18 2HE LYS 18 1.183 -2.265 -9.353 154 HE3 LYS 18 3HE LYS 18 -0.274 -2.752 -10.209 155 HZ1 LYS 18 1HZ LYS 18 0.156 -0.173 -8.804 156 HZ2 LYS 18 2HZ LYS 18 -1.285 -0.630 -9.561 157 HZ3 LYS 18 3HZ LYS 18 0.120 -0.415 -10.473 158 H LEU 19 H LEU 19 3.176 -3.627 -4.303 159 HA LEU 19 HA LEU 19 5.889 -2.871 -4.807 160 HB2 LEU 19 2HB LEU 19 4.514 -3.981 -2.337 161 HB3 LEU 19 3HB LEU 19 6.185 -3.438 -2.344 162 HG LEU 19 HG LEU 19 3.744 -1.691 -2.871 163 HD11 LEU 19 1HD1 LEU 19 5.661 -1.705 -0.524 164 HD12 LEU 19 2HD1 LEU 19 3.999 -2.297 -0.509 165 HD13 LEU 19 3HD1 LEU 19 4.318 -0.585 -0.769 166 HD21 LEU 19 1HD2 LEU 19 5.323 0.196 -2.907 167 HD22 LEU 19 2HD2 LEU 19 5.614 -0.928 -4.228 168 HD23 LEU 19 3HD2 LEU 19 6.679 -0.930 -2.820 169 H LEU 20 H LEU 20 4.284 -5.982 -4.473 170 HA LEU 20 HA LEU 20 6.661 -7.595 -4.268 171 HB2 LEU 20 2HB LEU 20 3.796 -8.312 -5.034 172 HB3 LEU 20 3HB LEU 20 5.080 -9.504 -4.895 173 HG LEU 20 HG LEU 20 4.015 -7.783 -2.617 174 HD11 LEU 20 1HD1 LEU 20 2.410 -9.500 -3.296 175 HD12 LEU 20 2HD1 LEU 20 3.085 -9.863 -1.711 176 HD13 LEU 20 3HD1 LEU 20 3.648 -10.750 -3.132 177 HD21 LEU 20 1HD2 LEU 20 6.392 -8.236 -2.299 178 HD22 LEU 20 2HD2 LEU 20 6.121 -9.963 -2.544 179 HD23 LEU 20 3HD2 LEU 20 5.426 -9.150 -1.141 180 H GLU 21 H GLU 21 4.626 -6.401 -6.881 181 HA GLU 21 HA GLU 21 5.866 -7.745 -9.063 182 HB2 GLU 21 2HB GLU 21 4.306 -5.123 -8.928 183 HB3 GLU 21 3HB GLU 21 4.844 -5.842 -10.446 184 HG2 GLU 21 2HG GLU 21 3.491 -7.854 -9.983 185 HG3 GLU 21 3HG GLU 21 2.949 -7.152 -8.463 186 H GLN 22 H GLN 22 6.629 -4.813 -7.286 187 HA GLN 22 HA GLN 22 8.760 -3.946 -9.023 188 HB2 GLN 22 2HB GLN 22 7.922 -3.091 -6.220 189 HB3 GLN 22 3HB GLN 22 9.296 -2.386 -7.070 190 HG2 GLN 22 2HG GLN 22 7.770 -1.667 -8.904 191 HG3 GLN 22 3HG GLN 22 6.407 -2.307 -7.987 192 HE21 GLN 22 1HE2 GLN 22 5.709 -1.194 -6.150 193 HE22 GLN 22 2HE2 GLN 22 6.192 0.431 -5.817 194 H SER 23 H SER 23 8.579 -5.805 -5.997 195 HA SER 23 HA SER 23 11.329 -6.730 -6.372 196 HB2 SER 23 2HB SER 23 11.418 -4.664 -4.896 197 HB3 SER 23 3HB SER 23 10.475 -5.547 -3.694 198 HG SER 23 HG SER 23 12.629 -5.816 -3.203 199 HA PRO 24 HA PRO 24 8.542 -10.226 -5.114 200 HB2 PRO 24 2HB PRO 24 9.572 -12.082 -6.838 201 HB3 PRO 24 3HB PRO 24 8.418 -10.843 -7.364 202 HG2 PRO 24 2HG PRO 24 11.400 -10.872 -7.663 203 HG3 PRO 24 3HG PRO 24 10.157 -10.425 -8.853 204 HD2 PRO 24 2HD PRO 24 11.552 -8.571 -7.399 205 HD3 PRO 24 3HD PRO 24 9.897 -8.295 -7.985 206 H ASN 25 H ASN 25 11.977 -9.814 -5.109 207 HA ASN 25 HA ASN 25 12.588 -12.160 -3.512 208 HB2 ASN 25 2HB ASN 25 14.255 -9.717 -4.257 209 HB3 ASN 25 3HB ASN 25 14.875 -11.100 -3.361 210 HD21 ASN 25 1HD2 ASN 25 13.533 -13.140 -4.900 211 HD22 ASN 25 2HD2 ASN 25 14.295 -13.172 -6.453 212 H SER 26 H SER 26 11.324 -9.036 -2.910 213 HA SER 26 HA SER 26 12.111 -9.032 -0.069 214 HB2 SER 26 2HB SER 26 10.636 -6.949 -1.752 215 HB3 SER 26 3HB SER 26 10.998 -6.777 -0.029 216 HG SER 26 HG SER 26 12.812 -5.976 -0.709 217 H LYS 27 H LYS 27 10.717 -9.597 1.504 218 HA LYS 27 HA LYS 27 7.927 -10.229 0.969 219 HB2 LYS 27 2HB LYS 27 9.183 -11.609 2.582 220 HB3 LYS 27 3HB LYS 27 9.535 -10.188 3.564 221 HG2 LYS 27 2HG LYS 27 7.124 -9.917 4.049 222 HG3 LYS 27 3HG LYS 27 6.758 -11.332 3.062 223 HD2 LYS 27 2HD LYS 27 8.363 -11.291 5.650 224 HD3 LYS 27 3HD LYS 27 6.732 -11.930 5.441 225 HE2 LYS 27 2HE LYS 27 7.695 -13.609 3.813 226 HE3 LYS 27 3HE LYS 27 9.302 -13.041 4.268 227 HZ1 LYS 27 1HZ LYS 27 7.303 -14.209 6.124 228 HZ2 LYS 27 2HZ LYS 27 8.864 -13.723 6.536 229 HZ3 LYS 27 3HZ LYS 27 8.633 -15.028 5.492 230 H VAL 28 H VAL 28 6.475 -8.607 0.871 231 HA VAL 28 HA VAL 28 7.013 -6.029 2.204 232 HB VAL 28 HB VAL 28 4.925 -6.723 0.079 233 HG11 VAL 28 1HG1 VAL 28 4.590 -4.276 -0.105 234 HG12 VAL 28 2HG1 VAL 28 5.712 -4.019 1.232 235 HG13 VAL 28 3HG1 VAL 28 4.187 -4.861 1.510 236 HG21 VAL 28 1HG2 VAL 28 6.365 -5.461 -1.490 237 HG22 VAL 28 2HG2 VAL 28 7.233 -6.837 -0.807 238 HG23 VAL 28 3HG2 VAL 28 7.555 -5.210 -0.208 239 H GLN 29 H GLN 29 6.223 -5.928 4.201 240 HA GLN 29 HA GLN 29 3.635 -7.131 4.964 241 HB2 GLN 29 2HB GLN 29 5.795 -5.761 6.647 242 HB3 GLN 29 3HB GLN 29 4.375 -6.590 7.276 243 HG2 GLN 29 2HG GLN 29 6.620 -7.905 5.721 244 HG3 GLN 29 3HG GLN 29 6.440 -7.943 7.475 245 HE21 GLN 29 1HE2 GLN 29 4.762 -9.198 8.372 246 HE22 GLN 29 2HE2 GLN 29 3.963 -10.444 7.478 247 H VAL 30 H VAL 30 2.382 -5.528 6.593 248 HA VAL 30 HA VAL 30 2.287 -2.818 5.368 249 HB VAL 30 HB VAL 30 0.138 -3.972 5.204 250 HG11 VAL 30 1HG1 VAL 30 0.156 -4.239 8.222 251 HG12 VAL 30 2HG1 VAL 30 0.321 -5.553 7.059 252 HG13 VAL 30 3HG1 VAL 30 -1.192 -4.652 7.158 253 HG21 VAL 30 1HG2 VAL 30 0.080 -1.533 5.533 254 HG22 VAL 30 2HG2 VAL 30 0.009 -1.751 7.283 255 HG23 VAL 30 3HG2 VAL 30 -1.331 -2.294 6.271 256 H ARG 31 H ARG 31 3.020 -1.159 6.526 257 HA ARG 31 HA ARG 31 3.935 -1.497 9.270 258 HB2 ARG 31 2HB ARG 31 5.246 -0.246 7.459 259 HB3 ARG 31 3HB ARG 31 4.034 1.029 7.546 260 HG2 ARG 31 2HG ARG 31 5.949 1.690 8.862 261 HG3 ARG 31 3HG ARG 31 4.616 1.343 9.970 262 HD2 ARG 31 2HD ARG 31 5.593 -0.919 10.382 263 HD3 ARG 31 3HD ARG 31 6.945 -0.503 9.320 264 HE ARG 31 HE ARG 31 6.617 1.382 11.438 265 HH11 ARG 31 1HH1 ARG 31 7.962 -1.790 10.701 266 HH12 ARG 31 2HH1 ARG 31 9.123 -1.726 11.984 267 HH21 ARG 31 1HH2 ARG 31 8.118 1.447 13.136 268 HH22 ARG 31 2HH2 ARG 31 9.207 0.118 13.369 269 H ARG 32 H ARG 32 1.866 0.877 7.575 270 HA ARG 32 HA ARG 32 -0.145 0.835 9.694 271 HB2 ARG 32 2HB ARG 32 1.345 3.361 8.842 272 HB3 ARG 32 3HB ARG 32 -0.252 3.426 9.581 273 HG2 ARG 32 2HG ARG 32 0.620 2.386 11.628 274 HG3 ARG 32 3HG ARG 32 2.221 2.255 10.895 275 HD2 ARG 32 2HD ARG 32 0.746 4.855 11.465 276 HD3 ARG 32 3HD ARG 32 2.082 4.190 12.420 277 HE ARG 32 HE ARG 32 2.434 4.826 9.562 278 HH11 ARG 32 1HH1 ARG 32 3.417 5.495 12.898 279 HH12 ARG 32 2HH1 ARG 32 4.783 6.441 12.392 280 HH21 ARG 32 1HH2 ARG 32 4.178 6.033 8.964 281 HH22 ARG 32 2HH2 ARG 32 5.213 6.744 10.163 282 H VAL 33 H VAL 33 -2.094 2.039 9.022 283 HA VAL 33 HA VAL 33 -2.503 2.308 6.093 284 HB VAL 33 HB VAL 33 -4.535 1.126 8.083 285 HG11 VAL 33 1HG1 VAL 33 -5.638 2.358 6.266 286 HG12 VAL 33 2HG1 VAL 33 -5.912 0.627 6.094 287 HG13 VAL 33 3HG1 VAL 33 -4.733 1.437 5.061 288 HG21 VAL 33 1HG2 VAL 33 -2.981 -0.314 5.908 289 HG22 VAL 33 2HG2 VAL 33 -4.231 -1.021 6.937 290 HG23 VAL 33 3HG2 VAL 33 -2.714 -0.466 7.647 291 H GLN 34 H GLN 34 -2.859 4.493 5.824 292 HA GLN 34 HA GLN 34 -4.218 6.002 7.987 293 HB2 GLN 34 2HB GLN 34 -1.889 6.750 7.365 294 HB3 GLN 34 3HB GLN 34 -2.455 7.088 5.731 295 HG2 GLN 34 2HG GLN 34 -2.365 9.160 6.982 296 HG3 GLN 34 3HG GLN 34 -4.058 8.762 6.680 297 HE21 GLN 34 1HE2 GLN 34 -5.366 8.101 8.459 298 HE22 GLN 34 2HE2 GLN 34 -4.872 8.366 10.097 299 H LYS 35 H LYS 35 -6.381 6.065 7.509 300 HA LYS 35 HA LYS 35 -7.393 6.519 4.840 301 HB2 LYS 35 2HB LYS 35 -8.710 5.289 6.563 302 HB3 LYS 35 3HB LYS 35 -8.800 6.749 7.544 303 HG2 LYS 35 2HG LYS 35 -10.897 6.373 6.333 304 HG3 LYS 35 3HG LYS 35 -10.124 7.861 5.781 305 HD2 LYS 35 2HD LYS 35 -9.271 6.700 3.786 306 HD3 LYS 35 3HD LYS 35 -9.971 5.180 4.349 307 HE2 LYS 35 2HE LYS 35 -11.537 7.668 3.606 308 HE3 LYS 35 3HE LYS 35 -11.318 6.253 2.582 309 HZ1 LYS 35 1HZ LYS 35 -12.479 4.936 4.265 310 HZ2 LYS 35 2HZ LYS 35 -13.440 6.179 3.654 311 HZ3 LYS 35 3HZ LYS 35 -12.736 6.328 5.181 312 H GLN 36 H GLN 36 -7.960 8.447 3.947 313 HA GLN 36 HA GLN 36 -7.776 10.953 5.467 314 HB2 GLN 36 2HB GLN 36 -5.472 10.381 4.493 315 HB3 GLN 36 3HB GLN 36 -6.181 10.509 2.887 316 HG2 GLN 36 2HG GLN 36 -5.017 12.561 3.426 317 HG3 GLN 36 3HG GLN 36 -6.746 12.887 3.363 318 HE21 GLN 36 1HE2 GLN 36 -3.965 12.608 5.453 319 HE22 GLN 36 2HE2 GLN 36 -4.679 13.350 6.840 320 H GLY 37 H GLY 37 -10.035 10.924 5.160 321 HA2 GLY 37 2HA GLY 37 -11.953 11.708 4.181 322 HA3 GLY 37 3HA GLY 37 -10.997 12.218 2.796 323 H ASN 38 H ASN 38 -10.466 10.607 1.170 324 HA ASN 38 HA ASN 38 -12.051 8.102 1.169 325 HB2 ASN 38 2HB ASN 38 -11.833 10.134 -1.093 326 HB3 ASN 38 3HB ASN 38 -12.300 8.467 -1.391 327 HD21 ASN 38 1HD2 ASN 38 -13.269 11.474 0.127 328 HD22 ASN 38 2HD2 ASN 38 -14.944 11.079 0.279 329 H THR 39 H THR 39 -9.028 9.695 0.563 330 HA THR 39 HA THR 39 -7.859 7.497 -0.944 331 HB THR 39 HB THR 39 -6.349 9.798 0.376 332 HG1 THR 39 HG1 THR 39 -7.173 9.906 -2.320 333 HG21 THR 39 1HG2 THR 39 -5.697 8.082 -2.058 334 HG22 THR 39 2HG2 THR 39 -4.904 7.990 -0.482 335 HG23 THR 39 3HG2 THR 39 -4.730 9.438 -1.473 336 H ILE 40 H ILE 40 -7.369 5.628 0.161 337 HA ILE 40 HA ILE 40 -6.372 5.751 2.919 338 HB ILE 40 HB ILE 40 -6.712 3.302 1.115 339 HG12 ILE 40 2HG1 ILE 40 -8.518 4.423 3.300 340 HG13 ILE 40 3HG1 ILE 40 -8.909 4.273 1.592 341 HG21 ILE 40 1HG2 ILE 40 -6.429 2.001 3.195 342 HG22 ILE 40 2HG2 ILE 40 -6.177 3.490 4.105 343 HG23 ILE 40 3HG2 ILE 40 -5.007 2.999 2.881 344 HD11 ILE 40 1HD1 ILE 40 -8.483 1.997 3.536 345 HD12 ILE 40 2HD1 ILE 40 -8.857 1.832 1.821 346 HD13 ILE 40 3HD1 ILE 40 -10.023 2.576 2.904 347 H ARG 41 H ARG 41 -4.357 6.512 2.966 348 HA ARG 41 HA ARG 41 -2.258 5.748 1.090 349 HB2 ARG 41 2HB ARG 41 -1.951 7.393 3.642 350 HB3 ARG 41 3HB ARG 41 -0.944 7.429 2.198 351 HG2 ARG 41 2HG ARG 41 -2.812 8.461 0.941 352 HG3 ARG 41 3HG ARG 41 -3.792 8.454 2.412 353 HD2 ARG 41 2HD ARG 41 -2.932 10.658 2.269 354 HD3 ARG 41 3HD ARG 41 -1.915 9.863 3.481 355 HE ARG 41 HE ARG 41 -1.086 10.068 0.658 356 HH11 ARG 41 1HH1 ARG 41 -0.365 10.800 4.022 357 HH12 ARG 41 2HH1 ARG 41 1.241 11.343 3.668 358 HH21 ARG 41 1HH2 ARG 41 1.014 10.718 0.237 359 HH22 ARG 41 2HH2 ARG 41 2.018 11.292 1.531 360 H VAL 42 H VAL 42 -1.918 3.551 1.490 361 HA VAL 42 HA VAL 42 -1.540 2.532 4.203 362 HB VAL 42 HB VAL 42 -1.173 1.016 1.563 363 HG11 VAL 42 1HG1 VAL 42 -1.460 -1.020 2.926 364 HG12 VAL 42 2HG1 VAL 42 -1.610 -0.040 4.390 365 HG13 VAL 42 3HG1 VAL 42 -0.083 -0.076 3.506 366 HG21 VAL 42 1HG2 VAL 42 -3.443 0.122 1.934 367 HG22 VAL 42 2HG2 VAL 42 -3.457 1.874 1.708 368 HG23 VAL 42 3HG2 VAL 42 -3.631 1.191 3.328 369 H GLU 43 H GLU 43 0.371 2.912 5.135 370 HA GLU 43 HA GLU 43 2.881 3.071 3.642 371 HB2 GLU 43 2HB GLU 43 2.339 3.094 6.654 372 HB3 GLU 43 3HB GLU 43 3.889 3.443 5.889 373 HG2 GLU 43 2HG GLU 43 2.904 5.425 4.786 374 HG3 GLU 43 3HG GLU 43 1.352 5.066 5.538 375 H LEU 44 H LEU 44 3.617 1.121 2.911 376 HA LEU 44 HA LEU 44 3.409 -1.281 4.633 377 HB2 LEU 44 2HB LEU 44 4.142 -1.143 1.676 378 HB3 LEU 44 3HB LEU 44 3.890 -2.593 2.631 379 HG LEU 44 HG LEU 44 1.448 -1.454 3.009 380 HD11 LEU 44 1HD1 LEU 44 0.637 -0.408 0.966 381 HD12 LEU 44 2HD1 LEU 44 2.257 -0.469 0.267 382 HD13 LEU 44 3HD1 LEU 44 1.944 0.530 1.688 383 HD21 LEU 44 1HD2 LEU 44 1.800 -3.713 2.172 384 HD22 LEU 44 2HD2 LEU 44 2.183 -3.082 0.570 385 HD23 LEU 44 3HD2 LEU 44 0.559 -2.878 1.234 386 H GLU 45 H GLU 45 5.326 -2.805 4.310 387 HA GLU 45 HA GLU 45 7.857 -1.324 4.696 388 HB2 GLU 45 2HB GLU 45 6.724 -2.122 6.801 389 HB3 GLU 45 3HB GLU 45 6.833 -3.777 6.214 390 HG2 GLU 45 2HG GLU 45 9.255 -3.712 6.329 391 HG3 GLU 45 3HG GLU 45 9.240 -1.997 6.740 392 H LEU 46 H LEU 46 9.003 -1.797 2.888 393 HA LEU 46 HA LEU 46 8.943 -4.488 1.664 394 HB2 LEU 46 2HB LEU 46 8.383 -2.413 0.307 395 HB3 LEU 46 3HB LEU 46 10.022 -1.855 0.537 396 HG LEU 46 HG LEU 46 9.533 -4.533 -0.820 397 HD11 LEU 46 1HD1 LEU 46 9.458 -3.444 -3.016 398 HD12 LEU 46 2HD1 LEU 46 9.463 -1.853 -2.253 399 HD13 LEU 46 3HD1 LEU 46 8.091 -2.937 -2.024 400 HD21 LEU 46 1HD2 LEU 46 11.737 -2.464 -1.107 401 HD22 LEU 46 2HD2 LEU 46 11.633 -3.987 -1.997 402 HD23 LEU 46 3HD2 LEU 46 11.846 -4.004 -0.249 403 H ARG 47 H ARG 47 10.546 -5.792 2.415 404 HA ARG 47 HA ARG 47 13.050 -4.604 3.467 405 HB2 ARG 47 2HB ARG 47 11.941 -7.402 3.927 406 HB3 ARG 47 3HB ARG 47 13.313 -6.666 4.749 407 HG2 ARG 47 2HG ARG 47 11.855 -5.079 5.874 408 HG3 ARG 47 3HG ARG 47 10.456 -5.663 4.964 409 HD2 ARG 47 2HD ARG 47 10.765 -7.908 5.999 410 HD3 ARG 47 3HD ARG 47 12.090 -7.252 6.968 411 HE ARG 47 HE ARG 47 10.247 -5.617 7.756 412 HH11 ARG 47 1HH1 ARG 47 9.797 -9.045 7.129 413 HH12 ARG 47 2HH1 ARG 47 8.504 -9.209 8.273 414 HH21 ARG 47 1HH2 ARG 47 8.570 -5.830 9.242 415 HH22 ARG 47 2HH2 ARG 47 7.806 -7.369 9.479 416 H THR 48 H THR 48 14.403 -4.463 1.708 417 HA THR 48 HA THR 48 14.857 -6.735 -0.074 418 HB THR 48 HB THR 48 16.129 -3.959 -0.020 419 HG1 THR 48 HG1 THR 48 14.495 -3.384 -1.250 420 HG21 THR 48 1HG2 THR 48 16.278 -6.138 -2.147 421 HG22 THR 48 2HG2 THR 48 17.625 -5.554 -1.164 422 HG23 THR 48 3HG2 THR 48 16.862 -4.486 -2.341 423 H ASN 49 H ASN 49 15.904 -8.308 1.042 424 HA ASN 49 HA ASN 49 17.551 -9.540 1.972 425 HB2 ASN 49 2HB ASN 49 19.291 -7.371 0.720 426 HB3 ASN 49 3HB ASN 49 19.917 -8.888 1.369 427 HD21 ASN 49 1HD2 ASN 49 19.442 -10.848 0.268 428 HD22 ASN 49 2HD2 ASN 49 18.874 -10.854 -1.363 429 H GLY 50 H GLY 50 16.235 -7.836 3.737 430 HA2 GLY 50 2HA GLY 50 16.482 -7.701 6.073 431 HA3 GLY 50 3HA GLY 50 18.227 -7.555 5.898 432 H LYS 51 H LYS 51 17.521 -5.456 3.662 433 HA LYS 51 HA LYS 51 17.549 -3.141 5.410 434 HB2 LYS 51 2HB LYS 51 17.613 -3.446 2.369 435 HB3 LYS 51 3HB LYS 51 17.608 -1.878 3.168 436 HG2 LYS 51 2HG LYS 51 19.733 -4.005 3.562 437 HG3 LYS 51 3HG LYS 51 19.875 -2.619 2.483 438 HD2 LYS 51 2HD LYS 51 19.583 -2.501 5.511 439 HD3 LYS 51 3HD LYS 51 21.064 -2.207 4.597 440 HE2 LYS 51 2HE LYS 51 20.030 -0.237 3.527 441 HE3 LYS 51 3HE LYS 51 18.528 -0.536 4.408 442 HZ1 LYS 51 1HZ LYS 51 19.835 -0.265 6.482 443 HZ2 LYS 51 2HZ LYS 51 19.724 1.138 5.555 444 HZ3 LYS 51 3HZ LYS 51 21.154 0.233 5.554 445 H LYS 52 H LYS 52 15.817 -2.024 6.044 446 HA LYS 52 HA LYS 52 13.132 -2.672 5.046 447 HB2 LYS 52 2HB LYS 52 13.516 -2.736 7.465 448 HB3 LYS 52 3HB LYS 52 14.135 -1.088 7.455 449 HG2 LYS 52 2HG LYS 52 11.851 -0.298 6.719 450 HG3 LYS 52 3HG LYS 52 11.271 -1.956 6.917 451 HD2 LYS 52 2HD LYS 52 10.720 -0.653 8.913 452 HD3 LYS 52 3HD LYS 52 11.926 -1.872 9.328 453 HE2 LYS 52 2HE LYS 52 13.698 -0.062 9.048 454 HE3 LYS 52 3HE LYS 52 12.380 1.103 8.906 455 HZ1 LYS 52 1HZ LYS 52 11.633 0.497 11.104 456 HZ2 LYS 52 2HZ LYS 52 13.252 0.965 11.158 457 HZ3 LYS 52 3HZ LYS 52 12.845 -0.674 11.241 458 H GLU 53 H GLU 53 12.139 -1.347 3.621 459 HA GLU 53 HA GLU 53 12.566 1.565 3.722 460 HB2 GLU 53 2HB GLU 53 13.988 0.564 1.878 461 HB3 GLU 53 3HB GLU 53 12.519 -0.021 1.114 462 HG2 GLU 53 2HG GLU 53 11.758 2.187 0.631 463 HG3 GLU 53 3HG GLU 53 12.929 2.923 1.724 464 H ASN 54 H ASN 54 10.608 2.468 4.002 465 HA ASN 54 HA ASN 54 8.201 0.866 3.582 466 HB2 ASN 54 2HB ASN 54 8.642 3.532 4.999 467 HB3 ASN 54 3HB ASN 54 7.070 2.735 4.866 468 HD21 ASN 54 1HD2 ASN 54 6.741 0.755 5.990 469 HD22 ASN 54 2HD2 ASN 54 7.761 0.277 7.304 470 H TYR 55 H TYR 55 6.586 1.303 2.158 471 HA TYR 55 HA TYR 55 6.828 3.647 0.341 472 HB2 TYR 55 2HB TYR 55 6.038 0.769 -0.299 473 HB3 TYR 55 3HB TYR 55 5.730 2.107 -1.395 474 HD1 TYR 55 HD1 TYR 55 7.311 2.547 -3.063 475 HD2 TYR 55 HD2 TYR 55 8.609 0.506 0.453 476 HE1 TYR 55 HE1 TYR 55 9.518 2.213 -4.074 477 HE2 TYR 55 HE2 TYR 55 10.830 0.176 -0.549 478 HH TYR 55 HH TYR 55 11.990 0.261 -2.550 479 H THR 56 H THR 56 5.153 4.975 0.670 480 HA THR 56 HA THR 56 2.624 4.075 1.796 481 HB THR 56 HB THR 56 3.443 6.875 0.860 482 HG1 THR 56 HG1 THR 56 3.837 5.469 3.275 483 HG21 THR 56 1HG2 THR 56 1.648 7.663 2.359 484 HG22 THR 56 2HG2 THR 56 1.223 5.997 2.750 485 HG23 THR 56 3HG2 THR 56 0.988 6.605 1.109 486 H VAL 57 H VAL 57 1.501 2.923 0.295 487 HA VAL 57 HA VAL 57 1.205 3.845 -2.474 488 HB VAL 57 HB VAL 57 0.119 1.292 -1.180 489 HG11 VAL 57 1HG1 VAL 57 -0.153 0.490 -3.512 490 HG12 VAL 57 2HG1 VAL 57 0.376 2.061 -4.115 491 HG13 VAL 57 3HG1 VAL 57 -1.127 1.929 -3.200 492 HG21 VAL 57 1HG2 VAL 57 2.654 1.653 -2.814 493 HG22 VAL 57 2HG2 VAL 57 2.001 0.109 -2.259 494 HG23 VAL 57 3HG2 VAL 57 2.570 1.300 -1.087 495 H GLU 58 H GLU 58 -0.211 5.400 -2.583 496 HA GLU 58 HA GLU 58 -2.486 5.670 -0.799 497 HB2 GLU 58 2HB GLU 58 -1.512 7.408 -3.109 498 HB3 GLU 58 3HB GLU 58 -2.733 7.867 -1.921 499 HG2 GLU 58 2HG GLU 58 -1.055 7.776 -0.126 500 HG3 GLU 58 3HG GLU 58 0.154 7.209 -1.272 501 H VAL 59 H VAL 59 -4.021 4.211 -1.306 502 HA VAL 59 HA VAL 59 -5.023 3.976 -4.076 503 HB VAL 59 HB VAL 59 -5.671 2.169 -1.700 504 HG11 VAL 59 1HG1 VAL 59 -7.316 2.076 -3.505 505 HG12 VAL 59 2HG1 VAL 59 -6.408 0.565 -3.433 506 HG13 VAL 59 3HG1 VAL 59 -6.041 1.757 -4.683 507 HG21 VAL 59 1HG2 VAL 59 -4.040 0.536 -2.606 508 HG22 VAL 59 2HG2 VAL 59 -3.251 2.033 -2.103 509 HG23 VAL 59 3HG2 VAL 59 -3.532 1.718 -3.817 510 H GLU 60 H GLU 60 -6.696 5.334 -4.443 511 HA GLU 60 HA GLU 60 -8.378 6.316 -2.216 512 HB2 GLU 60 2HB GLU 60 -7.161 7.970 -3.624 513 HB3 GLU 60 3HB GLU 60 -7.980 7.359 -5.056 514 HG2 GLU 60 2HG GLU 60 -10.163 8.092 -4.070 515 HG3 GLU 60 3HG GLU 60 -9.287 8.793 -2.710 516 H ARG 61 H ARG 61 -10.628 6.290 -2.363 517 HA ARG 61 HA ARG 61 -11.930 4.207 -3.784 518 HB2 ARG 61 2HB ARG 61 -12.738 5.108 -1.593 519 HB3 ARG 61 3HB ARG 61 -13.113 6.645 -2.371 520 HG2 ARG 61 2HG ARG 61 -15.181 5.526 -2.242 521 HG3 ARG 61 3HG ARG 61 -14.672 5.316 -3.914 522 HD2 ARG 61 2HD ARG 61 -15.420 3.183 -3.334 523 HD3 ARG 61 3HD ARG 61 -13.681 3.035 -3.064 524 HE ARG 61 HE ARG 61 -14.806 3.872 -0.671 525 HH11 ARG 61 1HH1 ARG 61 -15.024 0.987 -2.699 526 HH12 ARG 61 2HH1 ARG 61 -15.381 -0.050 -1.353 527 HH21 ARG 61 1HH2 ARG 61 -15.242 2.495 1.045 528 HH22 ARG 61 2HH2 ARG 61 -15.502 0.803 0.762 529 H GLN 62 H GLN 62 -11.929 4.359 -5.965 530 HA GLN 62 HA GLN 62 -12.736 6.795 -7.380 531 HB2 GLN 62 2HB GLN 62 -10.824 5.367 -8.202 532 HB3 GLN 62 3HB GLN 62 -11.959 4.055 -8.492 533 HG2 GLN 62 2HG GLN 62 -11.434 5.236 -10.571 534 HG3 GLN 62 3HG GLN 62 -13.138 5.433 -10.155 535 HE21 GLN 62 1HE2 GLN 62 -13.342 7.322 -11.395 536 HE22 GLN 62 2HE2 GLN 62 -12.625 8.823 -10.925 537 H GLY 63 H GLY 63 -14.891 6.945 -6.658 538 HA2 GLY 63 2HA GLY 63 -17.161 6.616 -6.728 539 HA3 GLY 63 3HA GLY 63 -16.905 5.456 -8.028 540 H ASN 64 H ASN 64 -16.912 3.305 -7.559 541 HA ASN 64 HA ASN 64 -17.568 2.423 -4.811 542 HB2 ASN 64 2HB ASN 64 -17.896 1.004 -7.505 543 HB3 ASN 64 3HB ASN 64 -18.387 0.348 -5.943 544 HD21 ASN 64 1HD2 ASN 64 -19.836 1.229 -8.484 545 HD22 ASN 64 2HD2 ASN 64 -21.133 2.203 -7.891 546 H THR 65 H THR 65 -15.271 2.074 -7.433 547 HA THR 65 HA THR 65 -13.920 -0.255 -6.318 548 HB THR 65 HB THR 65 -12.450 -0.036 -8.348 549 HG1 THR 65 HG1 THR 65 -14.159 2.188 -8.911 550 HG21 THR 65 1HG2 THR 65 -15.433 0.007 -8.942 551 HG22 THR 65 2HG2 THR 65 -14.493 -1.414 -8.478 552 HG23 THR 65 3HG2 THR 65 -14.178 -0.613 -10.019 553 H TRP 66 H TRP 66 -11.421 -0.133 -6.443 554 HA TRP 66 HA TRP 66 -10.381 2.280 -5.061 555 HB2 TRP 66 2HB TRP 66 -9.557 -0.663 -4.865 556 HB3 TRP 66 3HB TRP 66 -8.653 0.657 -4.131 557 HD1 TRP 66 HD1 TRP 66 -11.475 -1.680 -3.371 558 HE1 TRP 66 HE1 TRP 66 -12.620 -0.986 -1.154 559 HE3 TRP 66 HE3 TRP 66 -9.347 2.937 -2.746 560 HZ2 TRP 66 HZ2 TRP 66 -12.616 1.218 0.585 561 HZ3 TRP 66 HZ3 TRP 66 -9.976 4.275 -0.777 562 HH2 TRP 66 HH2 TRP 66 -11.582 3.426 0.853 563 H THR 67 H THR 67 -8.515 3.225 -5.864 564 HA THR 67 HA THR 67 -7.173 2.042 -8.219 565 HB THR 67 HB THR 67 -8.773 3.706 -9.113 566 HG1 THR 67 HG1 THR 67 -6.625 3.478 -10.036 567 HG21 THR 67 1HG2 THR 67 -8.975 5.225 -7.151 568 HG22 THR 67 2HG2 THR 67 -8.580 6.115 -8.620 569 HG23 THR 67 3HG2 THR 67 -7.325 5.795 -7.420 570 H VAL 68 H VAL 68 -4.981 2.105 -8.056 571 HA VAL 68 HA VAL 68 -3.676 3.406 -5.841 572 HB VAL 68 HB VAL 68 -2.447 2.033 -8.286 573 HG11 VAL 68 1HG1 VAL 68 -1.082 2.929 -5.710 574 HG12 VAL 68 2HG1 VAL 68 -0.841 3.634 -7.311 575 HG13 VAL 68 3HG1 VAL 68 -0.331 1.975 -6.991 576 HG21 VAL 68 1HG2 VAL 68 -2.874 1.012 -5.451 577 HG22 VAL 68 2HG2 VAL 68 -2.050 0.137 -6.746 578 HG23 VAL 68 3HG2 VAL 68 -3.771 0.502 -6.885 579 H LYS 69 H LYS 69 -3.694 5.537 -5.851 580 HA LYS 69 HA LYS 69 -3.586 7.353 -8.002 581 HB2 LYS 69 2HB LYS 69 -2.729 7.727 -5.084 582 HB3 LYS 69 3HB LYS 69 -3.002 9.041 -6.222 583 HG2 LYS 69 2HG LYS 69 -5.134 7.071 -5.367 584 HG3 LYS 69 3HG LYS 69 -4.868 8.622 -4.582 585 HD2 LYS 69 2HD LYS 69 -5.545 8.359 -7.539 586 HD3 LYS 69 3HD LYS 69 -6.767 8.532 -6.279 587 HE2 LYS 69 2HE LYS 69 -6.431 10.720 -7.148 588 HE3 LYS 69 3HE LYS 69 -5.594 10.700 -5.600 589 HZ1 LYS 69 1HZ LYS 69 -3.504 10.398 -6.797 590 HZ2 LYS 69 2HZ LYS 69 -4.295 11.793 -7.314 591 HZ3 LYS 69 3HZ LYS 69 -4.325 10.410 -8.275 592 H ARG 70 H ARG 70 -1.084 6.284 -5.716 593 HA ARG 70 HA ARG 70 0.991 6.023 -7.594 594 HB2 ARG 70 2HB ARG 70 0.918 8.520 -7.653 595 HB3 ARG 70 3HB ARG 70 1.139 8.575 -5.911 596 HG2 ARG 70 2HG ARG 70 3.233 9.120 -7.039 597 HG3 ARG 70 3HG ARG 70 3.401 7.591 -6.173 598 HD2 ARG 70 2HD ARG 70 2.999 6.385 -8.347 599 HD3 ARG 70 3HD ARG 70 2.987 7.950 -9.165 600 HE ARG 70 HE ARG 70 5.368 7.447 -7.603 601 HH11 ARG 70 1HH1 ARG 70 3.884 6.965 -10.760 602 HH12 ARG 70 2HH1 ARG 70 5.403 6.794 -11.581 603 HH21 ARG 70 1HH2 ARG 70 7.360 7.263 -8.689 604 HH22 ARG 70 2HH2 ARG 70 7.385 6.963 -10.399 605 H ILE 71 H ILE 71 2.671 4.910 -6.694 606 HA ILE 71 HA ILE 71 2.718 4.321 -3.831 607 HB ILE 71 HB ILE 71 4.572 3.387 -6.079 608 HG12 ILE 71 2HG1 ILE 71 2.161 2.043 -4.781 609 HG13 ILE 71 3HG1 ILE 71 2.313 2.543 -6.460 610 HG21 ILE 71 1HG2 ILE 71 5.346 1.666 -4.475 611 HG22 ILE 71 2HG2 ILE 71 4.337 2.383 -3.220 612 HG23 ILE 71 3HG2 ILE 71 5.688 3.299 -3.888 613 HD11 ILE 71 1HD1 ILE 71 4.091 0.848 -6.750 614 HD12 ILE 71 2HD1 ILE 71 2.518 0.193 -6.310 615 HD13 ILE 71 3HD1 ILE 71 3.786 0.304 -5.094 616 H THR 72 H THR 72 3.598 5.900 -2.613 617 HA THR 72 HA THR 72 5.782 7.593 -3.557 618 HB THR 72 HB THR 72 4.280 7.669 -0.884 619 HG1 THR 72 HG1 THR 72 2.754 8.606 -1.964 620 HG21 THR 72 1HG2 THR 72 6.009 9.783 -2.239 621 HG22 THR 72 2HG2 THR 72 6.490 8.822 -0.837 622 HG23 THR 72 3HG2 THR 72 5.152 9.963 -0.709 623 H ARG 73 H ARG 73 7.670 6.493 -3.466 624 HA ARG 73 HA ARG 73 8.546 4.767 -1.366 625 HB2 ARG 73 2HB ARG 73 9.572 4.747 -3.612 626 HB3 ARG 73 3HB ARG 73 10.097 6.416 -3.413 627 HG2 ARG 73 2HG ARG 73 11.596 5.707 -1.561 628 HG3 ARG 73 3HG ARG 73 11.085 4.033 -1.805 629 HD2 ARG 73 2HD ARG 73 12.012 4.074 -4.083 630 HD3 ARG 73 3HD ARG 73 12.484 5.762 -3.872 631 HE ARG 73 HE ARG 73 13.567 3.782 -2.008 632 HH11 ARG 73 1HH1 ARG 73 14.169 5.859 -4.779 633 HH12 ARG 73 2HH1 ARG 73 15.894 5.738 -4.641 634 HH21 ARG 73 1HH2 ARG 73 15.794 3.643 -1.814 635 HH22 ARG 73 2HH2 ARG 73 16.821 4.470 -2.940 636 H THR 74 H THR 74 9.332 5.353 0.631 637 HA THR 74 HA THR 74 9.087 7.960 1.635 638 HB THR 74 HB THR 74 8.984 5.951 3.083 639 HG1 THR 74 HG1 THR 74 10.705 6.951 4.652 640 HG21 THR 74 1HG2 THR 74 12.016 5.800 2.774 641 HG22 THR 74 2HG2 THR 74 10.857 4.615 2.166 642 HG23 THR 74 3HG2 THR 74 11.038 4.853 3.901 643 H VAL 75 H VAL 75 10.436 9.682 1.659 644 HA VAL 75 HA VAL 75 12.974 9.612 0.321 645 HB VAL 75 HB VAL 75 11.645 11.621 0.079 646 HG11 VAL 75 1HG1 VAL 75 11.159 13.205 1.896 647 HG12 VAL 75 2HG1 VAL 75 11.853 12.087 3.071 648 HG13 VAL 75 3HG1 VAL 75 10.396 11.637 2.185 649 HG21 VAL 75 1HG2 VAL 75 14.145 12.254 1.695 650 HG22 VAL 75 2HG2 VAL 75 13.315 13.363 0.602 651 HG23 VAL 75 3HG2 VAL 75 14.086 11.912 -0.037 652 H GLY 76 H GLY 76 14.458 8.413 1.313 653 HA2 GLY 76 2HA GLY 76 15.602 9.368 3.878 654 HA3 GLY 76 3HA GLY 76 15.217 7.661 3.707 655 H SER 77 H SER 77 16.076 8.779 0.732 656 HA SER 77 HA SER 77 18.967 8.225 1.012 657 HB2 SER 77 2HB SER 77 17.850 6.205 0.099 658 HB3 SER 77 3HB SER 77 17.081 7.169 -1.162 659 HG SER 77 HG SER 77 19.631 6.172 -0.998 660 H LEU 78 H LEU 78 20.223 9.707 -0.057 661 HA LEU 78 HA LEU 78 18.989 12.014 -1.281 662 HB2 LEU 78 2HB LEU 78 21.941 11.306 -1.019 663 HB3 LEU 78 3HB LEU 78 21.318 12.842 -1.593 664 HG LEU 78 HG LEU 78 21.976 13.266 0.637 665 HD11 LEU 78 1HD1 LEU 78 18.992 12.772 0.813 666 HD12 LEU 78 2HD1 LEU 78 19.773 14.206 0.145 667 HD13 LEU 78 3HD1 LEU 78 19.948 13.830 1.856 668 HD21 LEU 78 1HD2 LEU 78 22.319 10.976 1.415 669 HD22 LEU 78 2HD2 LEU 78 20.578 10.731 1.552 670 HD23 LEU 78 3HD2 LEU 78 21.390 11.897 2.599 671 H GLU 79 H GLU 79 18.141 11.702 -3.208 672 HA GLU 79 HA GLU 79 18.985 9.757 -5.100 673 HB2 GLU 79 2HB GLU 79 17.043 12.077 -5.427 674 HB3 GLU 79 3HB GLU 79 17.219 10.723 -6.544 675 HG2 GLU 79 2HG GLU 79 16.520 9.157 -4.756 676 HG3 GLU 79 3HG GLU 79 16.332 10.518 -3.649 677 H HIS 80 H HIS 80 21.061 10.126 -5.564 678 HA HIS 80 HA HIS 80 22.423 12.415 -6.309 679 HB2 HIS 80 2HB HIS 80 23.999 10.728 -7.489 680 HB3 HIS 80 3HB HIS 80 23.729 10.508 -5.767 681 HD1 HIS 80 HD1 HIS 80 22.118 8.492 -5.085 682 HD2 HIS 80 HD2 HIS 80 23.336 8.526 -9.063 683 HE1 HIS 80 HE1 HIS 80 21.662 6.184 -5.955 684 HE2 HIS 80 HE2 HIS 80 22.304 6.267 -8.379 685 H HIS 81 H HIS 81 22.032 13.770 -7.906 686 HA HIS 81 HA HIS 81 21.021 12.814 -10.516 687 HB2 HIS 81 2HB HIS 81 19.539 14.781 -10.635 688 HB3 HIS 81 3HB HIS 81 19.152 13.789 -9.236 689 HD1 HIS 81 HD1 HIS 81 19.860 17.213 -10.198 690 HD2 HIS 81 HD2 HIS 81 20.177 14.966 -6.723 691 HE1 HIS 81 HE1 HIS 81 20.010 18.881 -8.328 692 HE2 HIS 81 HE2 HIS 81 20.408 17.497 -6.266 693 H HIS 82 H HIS 82 21.964 13.723 -12.294 694 HA HIS 82 HA HIS 82 23.901 15.912 -12.015 695 HB2 HIS 82 2HB HIS 82 25.797 14.640 -12.849 696 HB3 HIS 82 3HB HIS 82 25.130 13.740 -11.489 697 HD1 HIS 82 HD1 HIS 82 26.034 13.389 -15.017 698 HD2 HIS 82 HD2 HIS 82 23.562 11.395 -12.337 699 HE1 HIS 82 HE1 HIS 82 25.509 11.186 -16.097 700 HE2 HIS 82 HE2 HIS 82 24.003 10.003 -14.471 701 H HIS 83 H HIS 83 24.712 16.664 -14.074 702 HA HIS 83 HA HIS 83 22.952 16.169 -16.398 703 HB2 HIS 83 2HB HIS 83 25.022 18.386 -15.987 704 HB3 HIS 83 3HB HIS 83 23.862 18.277 -17.309 705 HD1 HIS 83 HD1 HIS 83 21.501 19.131 -16.870 706 HD2 HIS 83 HD2 HIS 83 23.917 19.208 -13.492 707 HE1 HIS 83 HE1 HIS 83 20.250 20.491 -15.178 708 HE2 HIS 83 HE2 HIS 83 21.624 20.316 -13.083 709 H HIS 84 H HIS 84 24.257 16.291 -18.565 710 HA HIS 84 HA HIS 84 26.497 14.409 -18.403 711 HB2 HIS 84 2HB HIS 84 24.925 15.471 -20.786 712 HB3 HIS 84 3HB HIS 84 26.311 14.392 -20.936 713 HD1 HIS 84 HD1 HIS 84 23.050 13.908 -21.461 714 HD2 HIS 84 HD2 HIS 84 25.520 12.247 -18.564 715 HE1 HIS 84 HE1 HIS 84 21.946 11.763 -20.782 716 HE2 HIS 84 HE2 HIS 84 23.555 10.694 -19.187 717 H HIS 85 H HIS 85 26.569 16.852 -20.988 718 HA HIS 85 HA HIS 85 28.303 18.712 -19.624 719 HB2 HIS 85 2HB HIS 85 29.527 16.794 -21.662 720 HB3 HIS 85 3HB HIS 85 30.173 18.419 -21.479 721 HD1 HIS 85 HD1 HIS 85 30.729 15.109 -20.297 722 HD2 HIS 85 HD2 HIS 85 30.868 18.875 -18.546 723 HE1 HIS 85 HE1 HIS 85 32.099 14.835 -18.215 724 HE2 HIS 85 HE2 HIS 85 31.980 17.067 -17.074 Start of MODEL 11 1 H1 MET 1 1H MET 1 -24.252 -2.909 8.114 2 H2 MET 1 2H MET 1 -23.059 -1.715 8.116 3 H3 MET 1 3H MET 1 -22.866 -3.094 9.063 4 HA MET 1 HA MET 1 -22.757 -4.479 7.109 5 HB2 MET 1 2HB MET 1 -24.178 -3.065 5.669 6 HB3 MET 1 3HB MET 1 -22.946 -1.816 5.645 7 HG2 MET 1 2HG MET 1 -21.457 -3.261 4.356 8 HG3 MET 1 3HG MET 1 -22.616 -4.587 4.457 9 HE1 MET 1 1HE MET 1 -22.790 -3.582 0.663 10 HE2 MET 1 2HE MET 1 -22.561 -4.911 1.803 11 HE3 MET 1 3HE MET 1 -21.365 -3.618 1.692 12 HA PRO 2 HA PRO 2 -18.346 -3.455 8.166 13 HB2 PRO 2 2HB PRO 2 -18.136 -6.244 7.015 14 HB3 PRO 2 3HB PRO 2 -17.382 -5.573 8.479 15 HG2 PRO 2 2HG PRO 2 -19.450 -7.207 8.710 16 HG3 PRO 2 3HG PRO 2 -19.347 -5.765 9.749 17 HD2 PRO 2 2HD PRO 2 -21.038 -6.208 7.295 18 HD3 PRO 2 3HD PRO 2 -21.455 -5.394 8.819 19 H SER 3 H SER 3 -18.213 -1.917 6.557 20 HA SER 3 HA SER 3 -17.329 -2.741 3.852 21 HB2 SER 3 2HB SER 3 -18.464 -0.608 3.069 22 HB3 SER 3 3HB SER 3 -19.580 -1.833 3.673 23 HG SER 3 HG SER 3 -19.947 -0.662 5.454 24 H GLU 4 H GLU 4 -17.395 -0.104 6.227 25 HA GLU 4 HA GLU 4 -15.262 1.450 5.303 26 HB2 GLU 4 2HB GLU 4 -15.366 2.606 7.433 27 HB3 GLU 4 3HB GLU 4 -16.996 2.228 6.916 28 HG2 GLU 4 2HG GLU 4 -15.460 0.660 9.008 29 HG3 GLU 4 3HG GLU 4 -16.603 1.944 9.368 30 H GLU 5 H GLU 5 -15.257 -1.287 7.575 31 HA GLU 5 HA GLU 5 -12.398 -1.063 8.076 32 HB2 GLU 5 2HB GLU 5 -14.542 -3.009 8.974 33 HB3 GLU 5 3HB GLU 5 -12.841 -3.374 9.225 34 HG2 GLU 5 2HG GLU 5 -14.283 -0.935 10.301 35 HG3 GLU 5 3HG GLU 5 -13.872 -2.381 11.218 36 H GLU 6 H GLU 6 -14.581 -2.959 6.052 37 HA GLU 6 HA GLU 6 -12.822 -4.981 5.207 38 HB2 GLU 6 2HB GLU 6 -15.243 -5.145 4.875 39 HB3 GLU 6 3HB GLU 6 -15.227 -3.768 3.776 40 HG2 GLU 6 2HG GLU 6 -13.893 -5.044 2.159 41 HG3 GLU 6 3HG GLU 6 -13.809 -6.409 3.268 42 H GLU 7 H GLU 7 -13.275 -1.662 4.136 43 HA GLU 7 HA GLU 7 -11.945 -1.440 1.737 44 HB2 GLU 7 2HB GLU 7 -11.589 0.426 4.125 45 HB3 GLU 7 3HB GLU 7 -11.209 0.817 2.451 46 HG2 GLU 7 2HG GLU 7 -13.617 0.610 1.888 47 HG3 GLU 7 3HG GLU 7 -13.959 0.313 3.596 48 H LYS 8 H LYS 8 -10.537 -1.400 4.983 49 HA LYS 8 HA LYS 8 -7.847 -0.981 4.337 50 HB2 LYS 8 2HB LYS 8 -9.155 -2.325 6.755 51 HB3 LYS 8 3HB LYS 8 -7.418 -2.080 6.652 52 HG2 LYS 8 2HG LYS 8 -8.442 -0.363 8.051 53 HG3 LYS 8 3HG LYS 8 -7.751 0.369 6.602 54 HD2 LYS 8 2HD LYS 8 -10.016 0.497 5.600 55 HD3 LYS 8 3HD LYS 8 -10.698 -0.247 7.047 56 HE2 LYS 8 2HE LYS 8 -9.223 2.407 7.026 57 HE3 LYS 8 3HE LYS 8 -10.976 2.241 6.945 58 HZ1 LYS 8 1HZ LYS 8 -10.271 2.688 9.183 59 HZ2 LYS 8 2HZ LYS 8 -9.241 1.346 9.180 60 HZ3 LYS 8 3HZ LYS 8 -10.916 1.128 9.103 61 H ARG 9 H ARG 9 -9.704 -3.980 4.762 62 HA ARG 9 HA ARG 9 -7.564 -5.840 4.599 63 HB2 ARG 9 2HB ARG 9 -10.573 -6.106 4.234 64 HB3 ARG 9 3HB ARG 9 -9.511 -7.485 3.990 65 HG2 ARG 9 2HG ARG 9 -10.430 -7.592 6.230 66 HG3 ARG 9 3HG ARG 9 -8.703 -7.271 6.331 67 HD2 ARG 9 2HD ARG 9 -9.203 -4.865 6.761 68 HD3 ARG 9 3HD ARG 9 -10.929 -5.228 6.704 69 HE ARG 9 HE ARG 9 -9.829 -6.904 8.623 70 HH11 ARG 9 1HH1 ARG 9 -10.202 -3.414 8.197 71 HH12 ARG 9 2HH1 ARG 9 -10.249 -3.089 9.901 72 HH21 ARG 9 1HH2 ARG 9 -9.890 -6.463 10.837 73 HH22 ARG 9 2HH2 ARG 9 -10.071 -4.834 11.404 74 H GLN 10 H GLN 10 -9.652 -4.411 2.141 75 HA GLN 10 HA GLN 10 -8.737 -5.990 -0.087 76 HB2 GLN 10 2HB GLN 10 -10.217 -3.322 -0.041 77 HB3 GLN 10 3HB GLN 10 -10.024 -4.351 -1.458 78 HG2 GLN 10 2HG GLN 10 -11.422 -6.081 -0.460 79 HG3 GLN 10 3HG GLN 10 -11.500 -5.188 1.061 80 HE21 GLN 10 1HE2 GLN 10 -12.708 -3.261 1.152 81 HE22 GLN 10 2HE2 GLN 10 -13.957 -2.918 0.011 82 H VAL 11 H VAL 11 -7.958 -2.790 1.229 83 HA VAL 11 HA VAL 11 -6.488 -1.899 -1.079 84 HB VAL 11 HB VAL 11 -6.922 -0.648 1.674 85 HG11 VAL 11 1HG1 VAL 11 -6.121 1.474 0.697 86 HG12 VAL 11 2HG1 VAL 11 -5.692 0.626 -0.789 87 HG13 VAL 11 3HG1 VAL 11 -4.847 0.252 0.710 88 HG21 VAL 11 1HG2 VAL 11 -8.163 -0.003 -1.023 89 HG22 VAL 11 2HG2 VAL 11 -8.513 0.812 0.503 90 HG23 VAL 11 3HG2 VAL 11 -8.958 -0.881 0.285 91 H LYS 12 H LYS 12 -5.608 -3.189 2.116 92 HA LYS 12 HA LYS 12 -2.815 -2.763 2.013 93 HB2 LYS 12 2HB LYS 12 -4.385 -5.033 3.299 94 HB3 LYS 12 3HB LYS 12 -2.663 -4.772 3.552 95 HG2 LYS 12 2HG LYS 12 -3.123 -2.615 4.616 96 HG3 LYS 12 3HG LYS 12 -4.847 -2.808 4.313 97 HD2 LYS 12 2HD LYS 12 -3.130 -4.540 6.135 98 HD3 LYS 12 3HD LYS 12 -4.303 -3.333 6.651 99 HE2 LYS 12 2HE LYS 12 -5.462 -5.348 6.943 100 HE3 LYS 12 3HE LYS 12 -6.046 -4.808 5.371 101 HZ1 LYS 12 1HZ LYS 12 -4.501 -6.351 4.312 102 HZ2 LYS 12 2HZ LYS 12 -5.485 -7.179 5.409 103 HZ3 LYS 12 3HZ LYS 12 -3.890 -6.814 5.817 104 H GLN 13 H GLN 13 -4.910 -5.297 0.706 105 HA GLN 13 HA GLN 13 -2.876 -6.944 -0.400 106 HB2 GLN 13 2HB GLN 13 -5.156 -7.802 -0.020 107 HB3 GLN 13 3HB GLN 13 -5.809 -6.663 -1.190 108 HG2 GLN 13 2HG GLN 13 -4.440 -7.804 -2.964 109 HG3 GLN 13 3HG GLN 13 -3.967 -9.003 -1.764 110 HE21 GLN 13 1HE2 GLN 13 -7.199 -7.566 -1.977 111 HE22 GLN 13 2HE2 GLN 13 -7.991 -9.011 -2.486 112 H VAL 14 H VAL 14 -4.982 -4.431 -1.895 113 HA VAL 14 HA VAL 14 -3.967 -4.500 -4.498 114 HB VAL 14 HB VAL 14 -5.104 -2.127 -2.934 115 HG11 VAL 14 1HG1 VAL 14 -5.577 -1.029 -5.095 116 HG12 VAL 14 2HG1 VAL 14 -4.730 -2.323 -5.945 117 HG13 VAL 14 3HG1 VAL 14 -3.842 -1.260 -4.855 118 HG21 VAL 14 1HG2 VAL 14 -7.231 -2.621 -4.101 119 HG22 VAL 14 2HG2 VAL 14 -6.687 -3.995 -3.140 120 HG23 VAL 14 3HG2 VAL 14 -6.477 -4.013 -4.890 121 H ALA 15 H ALA 15 -2.805 -2.789 -1.661 122 HA ALA 15 HA ALA 15 -0.838 -1.177 -2.888 123 HB1 ALA 15 1HB ALA 15 -1.038 -2.139 -0.016 124 HB2 ALA 15 2HB ALA 15 -1.795 -0.694 -0.680 125 HB3 ALA 15 3HB ALA 15 -0.038 -0.793 -0.600 126 H LYS 16 H LYS 16 -0.631 -4.341 -1.233 127 HA LYS 16 HA LYS 16 2.217 -4.500 -1.365 128 HB2 LYS 16 2HB LYS 16 1.992 -6.744 -0.425 129 HB3 LYS 16 3HB LYS 16 0.946 -5.613 0.416 130 HG2 LYS 16 2HG LYS 16 -0.995 -6.473 -0.792 131 HG3 LYS 16 3HG LYS 16 0.023 -7.609 -1.667 132 HD2 LYS 16 2HD LYS 16 -0.173 -7.619 1.372 133 HD3 LYS 16 3HD LYS 16 -1.300 -8.513 0.352 134 HE2 LYS 16 2HE LYS 16 1.710 -8.890 0.329 135 HE3 LYS 16 3HE LYS 16 0.560 -9.931 1.170 136 HZ1 LYS 16 1HZ LYS 16 0.714 -9.491 -1.762 137 HZ2 LYS 16 2HZ LYS 16 -0.495 -10.382 -0.989 138 HZ3 LYS 16 3HZ LYS 16 1.107 -10.903 -0.926 139 H GLU 17 H GLU 17 -0.402 -5.736 -3.421 140 HA GLU 17 HA GLU 17 1.091 -7.594 -4.927 141 HB2 GLU 17 2HB GLU 17 -1.318 -5.944 -5.820 142 HB3 GLU 17 3HB GLU 17 -0.678 -7.343 -6.672 143 HG2 GLU 17 2HG GLU 17 -1.956 -7.331 -3.937 144 HG3 GLU 17 3HG GLU 17 -2.651 -7.959 -5.417 145 H LYS 18 H LYS 18 0.481 -4.128 -5.411 146 HA LYS 18 HA LYS 18 1.828 -3.822 -7.884 147 HB2 LYS 18 2HB LYS 18 1.417 -1.750 -5.690 148 HB3 LYS 18 3HB LYS 18 1.794 -1.399 -7.372 149 HG2 LYS 18 2HG LYS 18 -0.736 -2.728 -6.374 150 HG3 LYS 18 3HG LYS 18 -0.592 -1.035 -6.805 151 HD2 LYS 18 2HD LYS 18 -0.039 -3.227 -8.832 152 HD3 LYS 18 3HD LYS 18 -1.675 -2.663 -8.509 153 HE2 LYS 18 2HE LYS 18 -0.878 -1.475 -10.433 154 HE3 LYS 18 3HE LYS 18 -0.913 -0.331 -9.092 155 HZ1 LYS 18 1HZ LYS 18 1.095 -0.134 -10.426 156 HZ2 LYS 18 2HZ LYS 18 1.502 -1.739 -10.101 157 HZ3 LYS 18 3HZ LYS 18 1.473 -0.601 -8.851 158 H LEU 19 H LEU 19 2.881 -3.450 -4.503 159 HA LEU 19 HA LEU 19 5.548 -2.659 -4.941 160 HB2 LEU 19 2HB LEU 19 4.279 -4.131 -2.601 161 HB3 LEU 19 3HB LEU 19 5.931 -3.542 -2.586 162 HG LEU 19 HG LEU 19 3.396 -1.871 -2.680 163 HD11 LEU 19 1HD1 LEU 19 5.639 -2.034 -0.643 164 HD12 LEU 19 2HD1 LEU 19 4.020 -2.718 -0.467 165 HD13 LEU 19 3HD1 LEU 19 4.232 -0.970 -0.550 166 HD21 LEU 19 1HD2 LEU 19 4.862 0.121 -2.723 167 HD22 LEU 19 2HD2 LEU 19 4.995 -0.836 -4.196 168 HD23 LEU 19 3HD2 LEU 19 6.265 -0.921 -2.970 169 H LEU 20 H LEU 20 4.089 -5.866 -4.891 170 HA LEU 20 HA LEU 20 6.577 -7.324 -4.715 171 HB2 LEU 20 2HB LEU 20 3.708 -8.166 -5.255 172 HB3 LEU 20 3HB LEU 20 5.036 -9.315 -5.203 173 HG LEU 20 HG LEU 20 4.289 -7.510 -2.867 174 HD11 LEU 20 1HD1 LEU 20 3.266 -9.489 -1.824 175 HD12 LEU 20 2HD1 LEU 20 3.552 -10.422 -3.297 176 HD13 LEU 20 3HD1 LEU 20 2.445 -9.046 -3.321 177 HD21 LEU 20 1HD2 LEU 20 5.754 -8.966 -1.560 178 HD22 LEU 20 2HD2 LEU 20 6.641 -8.226 -2.888 179 HD23 LEU 20 3HD2 LEU 20 6.133 -9.914 -2.997 180 H GLU 21 H GLU 21 4.521 -6.181 -7.344 181 HA GLU 21 HA GLU 21 5.838 -7.605 -9.450 182 HB2 GLU 21 2HB GLU 21 4.421 -4.907 -9.614 183 HB3 GLU 21 3HB GLU 21 4.823 -5.945 -10.974 184 HG2 GLU 21 2HG GLU 21 2.844 -6.581 -8.774 185 HG3 GLU 21 3HG GLU 21 2.446 -6.091 -10.415 186 H GLN 22 H GLN 22 6.413 -4.550 -7.800 187 HA GLN 22 HA GLN 22 8.633 -3.666 -9.415 188 HB2 GLN 22 2HB GLN 22 7.716 -2.759 -6.648 189 HB3 GLN 22 3HB GLN 22 8.860 -1.902 -7.677 190 HG2 GLN 22 2HG GLN 22 7.119 -1.423 -9.305 191 HG3 GLN 22 3HG GLN 22 5.969 -2.424 -8.429 192 HE21 GLN 22 1HE2 GLN 22 6.797 -1.408 -5.779 193 HE22 GLN 22 2HE2 GLN 22 6.145 0.186 -5.676 194 H SER 23 H SER 23 8.249 -5.623 -6.524 195 HA SER 23 HA SER 23 11.124 -6.165 -6.353 196 HB2 SER 23 2HB SER 23 9.540 -5.120 -3.954 197 HB3 SER 23 3HB SER 23 11.220 -5.648 -3.931 198 HG SER 23 HG SER 23 11.243 -3.846 -5.744 199 HA PRO 24 HA PRO 24 8.548 -10.007 -5.595 200 HB2 PRO 24 2HB PRO 24 9.871 -11.664 -7.311 201 HB3 PRO 24 3HB PRO 24 8.645 -10.514 -7.886 202 HG2 PRO 24 2HG PRO 24 11.635 -10.232 -7.915 203 HG3 PRO 24 3HG PRO 24 10.465 -9.880 -9.208 204 HD2 PRO 24 2HD PRO 24 11.502 -7.929 -7.594 205 HD3 PRO 24 3HD PRO 24 9.874 -7.822 -8.299 206 H ASN 25 H ASN 25 11.941 -9.251 -5.448 207 HA ASN 25 HA ASN 25 12.738 -11.593 -3.892 208 HB2 ASN 25 2HB ASN 25 14.274 -9.094 -4.760 209 HB3 ASN 25 3HB ASN 25 14.988 -10.450 -3.884 210 HD21 ASN 25 1HD2 ASN 25 15.376 -12.383 -4.968 211 HD22 ASN 25 2HD2 ASN 25 15.283 -12.521 -6.687 212 H SER 26 H SER 26 10.790 -9.357 -2.960 213 HA SER 26 HA SER 26 12.128 -8.667 -0.412 214 HB2 SER 26 2HB SER 26 11.764 -6.677 -1.822 215 HB3 SER 26 3HB SER 26 10.046 -7.063 -1.963 216 HG SER 26 HG SER 26 11.305 -5.736 -0.015 217 H LYS 27 H LYS 27 10.858 -8.680 1.456 218 HA LYS 27 HA LYS 27 8.313 -10.189 1.359 219 HB2 LYS 27 2HB LYS 27 10.307 -11.061 2.743 220 HB3 LYS 27 3HB LYS 27 10.083 -9.669 3.785 221 HG2 LYS 27 2HG LYS 27 8.886 -11.214 4.999 222 HG3 LYS 27 3HG LYS 27 7.585 -10.639 3.966 223 HD2 LYS 27 2HD LYS 27 9.244 -13.109 3.323 224 HD3 LYS 27 3HD LYS 27 7.771 -13.171 4.282 225 HE2 LYS 27 2HE LYS 27 7.900 -12.148 1.426 226 HE3 LYS 27 3HE LYS 27 7.436 -13.786 1.880 227 HZ1 LYS 27 1HZ LYS 27 5.517 -12.385 1.504 228 HZ2 LYS 27 2HZ LYS 27 6.023 -11.311 2.706 229 HZ3 LYS 27 3HZ LYS 27 5.574 -12.889 3.116 230 H VAL 28 H VAL 28 6.655 -8.774 1.326 231 HA VAL 28 HA VAL 28 6.887 -6.111 2.542 232 HB VAL 28 HB VAL 28 4.755 -7.208 0.640 233 HG11 VAL 28 1HG1 VAL 28 3.898 -5.373 2.043 234 HG12 VAL 28 2HG1 VAL 28 4.066 -4.849 0.367 235 HG13 VAL 28 3HG1 VAL 28 5.263 -4.357 1.566 236 HG21 VAL 28 1HG2 VAL 28 6.952 -7.073 -0.471 237 HG22 VAL 28 2HG2 VAL 28 7.116 -5.389 0.032 238 HG23 VAL 28 3HG2 VAL 28 5.852 -5.847 -1.112 239 H GLN 29 H GLN 29 6.186 -5.966 4.555 240 HA GLN 29 HA GLN 29 3.799 -7.408 5.552 241 HB2 GLN 29 2HB GLN 29 5.779 -5.623 7.061 242 HB3 GLN 29 3HB GLN 29 4.547 -6.657 7.774 243 HG2 GLN 29 2HG GLN 29 7.025 -7.580 6.289 244 HG3 GLN 29 3HG GLN 29 6.775 -7.636 8.032 245 HE21 GLN 29 1HE2 GLN 29 7.376 -9.818 6.176 246 HE22 GLN 29 2HE2 GLN 29 6.094 -10.962 6.343 247 H VAL 30 H VAL 30 2.136 -6.072 6.646 248 HA VAL 30 HA VAL 30 1.824 -3.361 5.580 249 HB VAL 30 HB VAL 30 0.014 -4.889 7.512 250 HG11 VAL 30 1HG1 VAL 30 -0.264 -2.433 7.635 251 HG12 VAL 30 2HG1 VAL 30 -1.687 -3.201 6.935 252 HG13 VAL 30 3HG1 VAL 30 -0.534 -2.372 5.890 253 HG21 VAL 30 1HG2 VAL 30 0.184 -6.061 5.347 254 HG22 VAL 30 2HG2 VAL 30 -0.249 -4.575 4.498 255 HG23 VAL 30 3HG2 VAL 30 -1.420 -5.359 5.559 256 H ARG 31 H ARG 31 2.831 -1.759 6.589 257 HA ARG 31 HA ARG 31 3.944 -2.055 9.253 258 HB2 ARG 31 2HB ARG 31 5.227 -1.055 7.350 259 HB3 ARG 31 3HB ARG 31 4.069 0.268 7.280 260 HG2 ARG 31 2HG ARG 31 6.091 0.991 8.414 261 HG3 ARG 31 3HG ARG 31 4.745 0.971 9.553 262 HD2 ARG 31 2HD ARG 31 5.570 -1.276 10.368 263 HD3 ARG 31 3HD ARG 31 6.989 -1.070 9.332 264 HE ARG 31 HE ARG 31 6.702 1.203 10.966 265 HH11 ARG 31 1HH1 ARG 31 7.587 -2.193 11.297 266 HH12 ARG 31 2HH1 ARG 31 8.558 -1.917 12.700 267 HH21 ARG 31 1HH2 ARG 31 7.941 1.528 12.812 268 HH22 ARG 31 2HH2 ARG 31 8.765 0.201 13.563 269 H ARG 32 H ARG 32 1.588 0.065 7.618 270 HA ARG 32 HA ARG 32 -0.140 0.269 9.883 271 HB2 ARG 32 2HB ARG 32 1.689 1.930 10.516 272 HB3 ARG 32 3HB ARG 32 1.292 2.854 9.077 273 HG2 ARG 32 2HG ARG 32 0.300 3.894 11.045 274 HG3 ARG 32 3HG ARG 32 -0.973 3.290 9.986 275 HD2 ARG 32 2HD ARG 32 -1.244 1.309 11.448 276 HD3 ARG 32 3HD ARG 32 0.038 1.913 12.504 277 HE ARG 32 HE ARG 32 -1.860 3.930 12.344 278 HH11 ARG 32 1HH1 ARG 32 -1.778 0.596 13.480 279 HH12 ARG 32 2HH1 ARG 32 -3.001 0.842 14.680 280 HH21 ARG 32 1HH2 ARG 32 -3.449 4.251 13.921 281 HH22 ARG 32 2HH2 ARG 32 -3.959 2.937 14.934 282 H VAL 33 H VAL 33 -2.141 1.407 9.318 283 HA VAL 33 HA VAL 33 -2.485 1.991 6.420 284 HB VAL 33 HB VAL 33 -4.563 0.810 8.336 285 HG11 VAL 33 1HG1 VAL 33 -5.970 0.525 6.314 286 HG12 VAL 33 2HG1 VAL 33 -4.752 1.366 5.355 287 HG13 VAL 33 3HG1 VAL 33 -5.614 2.224 6.633 288 HG21 VAL 33 1HG2 VAL 33 -4.366 -1.274 7.024 289 HG22 VAL 33 2HG2 VAL 33 -2.824 -0.847 7.771 290 HG23 VAL 33 3HG2 VAL 33 -3.083 -0.548 6.052 291 H GLN 34 H GLN 34 -3.253 4.020 5.952 292 HA GLN 34 HA GLN 34 -4.351 5.721 8.136 293 HB2 GLN 34 2HB GLN 34 -2.673 6.590 5.724 294 HB3 GLN 34 3HB GLN 34 -3.367 7.680 6.918 295 HG2 GLN 34 2HG GLN 34 -1.211 5.613 7.415 296 HG3 GLN 34 3HG GLN 34 -0.993 7.362 7.328 297 HE21 GLN 34 1HE2 GLN 34 -0.404 5.491 9.480 298 HE22 GLN 34 2HE2 GLN 34 -1.255 6.070 10.863 299 H LYS 35 H LYS 35 -6.564 5.876 7.757 300 HA LYS 35 HA LYS 35 -7.555 6.104 4.990 301 HB2 LYS 35 2HB LYS 35 -8.672 4.776 7.089 302 HB3 LYS 35 3HB LYS 35 -9.417 6.341 7.375 303 HG2 LYS 35 2HG LYS 35 -9.635 4.683 4.850 304 HG3 LYS 35 3HG LYS 35 -10.890 4.881 6.069 305 HD2 LYS 35 2HD LYS 35 -11.176 7.217 5.481 306 HD3 LYS 35 3HD LYS 35 -9.762 7.178 4.424 307 HE2 LYS 35 2HE LYS 35 -11.801 7.116 3.093 308 HE3 LYS 35 3HE LYS 35 -10.944 5.583 2.934 309 HZ1 LYS 35 1HZ LYS 35 -13.292 6.096 4.679 310 HZ2 LYS 35 2HZ LYS 35 -12.474 4.622 4.549 311 HZ3 LYS 35 3HZ LYS 35 -13.309 5.241 3.218 312 H GLN 36 H GLN 36 -7.330 8.091 4.170 313 HA GLN 36 HA GLN 36 -7.676 10.510 5.869 314 HB2 GLN 36 2HB GLN 36 -5.818 10.142 3.460 315 HB3 GLN 36 3HB GLN 36 -5.955 11.592 4.444 316 HG2 GLN 36 2HG GLN 36 -4.895 8.905 5.380 317 HG3 GLN 36 3HG GLN 36 -3.921 10.320 4.983 318 HE21 GLN 36 1HE2 GLN 36 -4.256 8.772 7.506 319 HE22 GLN 36 2HE2 GLN 36 -4.633 9.950 8.699 320 H GLY 37 H GLY 37 -9.713 11.140 5.350 321 HA2 GLY 37 2HA GLY 37 -11.458 12.026 4.167 322 HA3 GLY 37 3HA GLY 37 -10.392 12.155 2.774 323 H ASN 38 H ASN 38 -10.355 10.512 1.258 324 HA ASN 38 HA ASN 38 -12.195 8.212 1.518 325 HB2 ASN 38 2HB ASN 38 -13.103 10.345 0.171 326 HB3 ASN 38 3HB ASN 38 -12.076 9.727 -1.112 327 HD21 ASN 38 1HD2 ASN 38 -14.947 9.985 -1.071 328 HD22 ASN 38 2HD2 ASN 38 -15.595 8.406 -1.313 329 H THR 39 H THR 39 -9.148 9.137 1.232 330 HA THR 39 HA THR 39 -8.265 7.101 -0.739 331 HB THR 39 HB THR 39 -6.884 9.691 0.129 332 HG1 THR 39 HG1 THR 39 -8.820 9.729 -1.354 333 HG21 THR 39 1HG2 THR 39 -6.064 7.684 -2.016 334 HG22 THR 39 2HG2 THR 39 -5.206 7.984 -0.498 335 HG23 THR 39 3HG2 THR 39 -5.299 9.241 -1.733 336 H ILE 40 H ILE 40 -7.444 5.369 0.331 337 HA ILE 40 HA ILE 40 -6.403 5.623 3.048 338 HB ILE 40 HB ILE 40 -6.776 3.136 1.321 339 HG12 ILE 40 2HG1 ILE 40 -8.523 4.337 3.509 340 HG13 ILE 40 3HG1 ILE 40 -8.951 4.150 1.817 341 HG21 ILE 40 1HG2 ILE 40 -6.454 1.872 3.419 342 HG22 ILE 40 2HG2 ILE 40 -6.150 3.377 4.286 343 HG23 ILE 40 3HG2 ILE 40 -5.026 2.840 3.037 344 HD11 ILE 40 1HD1 ILE 40 -8.930 1.713 2.103 345 HD12 ILE 40 2HD1 ILE 40 -10.084 2.517 3.163 346 HD13 ILE 40 3HD1 ILE 40 -8.557 1.925 3.817 347 H ARG 41 H ARG 41 -4.401 6.376 3.128 348 HA ARG 41 HA ARG 41 -2.256 5.646 1.295 349 HB2 ARG 41 2HB ARG 41 -2.137 7.248 3.896 350 HB3 ARG 41 3HB ARG 41 -0.936 7.234 2.611 351 HG2 ARG 41 2HG ARG 41 -2.522 8.383 1.103 352 HG3 ARG 41 3HG ARG 41 -3.745 8.372 2.376 353 HD2 ARG 41 2HD ARG 41 -2.301 9.787 3.790 354 HD3 ARG 41 3HD ARG 41 -1.056 9.787 2.538 355 HE ARG 41 HE ARG 41 -3.008 10.834 1.138 356 HH11 ARG 41 1HH1 ARG 41 -2.229 11.604 4.504 357 HH12 ARG 41 2HH1 ARG 41 -2.848 13.221 4.391 358 HH21 ARG 41 1HH2 ARG 41 -3.815 12.941 1.028 359 HH22 ARG 41 2HH2 ARG 41 -3.748 13.977 2.416 360 H VAL 42 H VAL 42 -1.929 3.403 1.650 361 HA VAL 42 HA VAL 42 -1.553 2.390 4.361 362 HB VAL 42 HB VAL 42 -1.094 0.856 1.757 363 HG11 VAL 42 1HG1 VAL 42 -1.375 -1.162 3.167 364 HG12 VAL 42 2HG1 VAL 42 -1.567 -0.145 4.597 365 HG13 VAL 42 3HG1 VAL 42 -0.024 -0.177 3.739 366 HG21 VAL 42 1HG2 VAL 42 -3.607 0.987 3.448 367 HG22 VAL 42 2HG2 VAL 42 -3.339 -0.108 2.088 368 HG23 VAL 42 3HG2 VAL 42 -3.411 1.634 1.815 369 H GLU 43 H GLU 43 0.312 2.558 5.348 370 HA GLU 43 HA GLU 43 2.888 2.864 3.999 371 HB2 GLU 43 2HB GLU 43 2.220 2.560 6.968 372 HB3 GLU 43 3HB GLU 43 3.766 3.078 6.300 373 HG2 GLU 43 2HG GLU 43 2.776 5.153 5.478 374 HG3 GLU 43 3HG GLU 43 1.168 4.611 5.964 375 H LEU 44 H LEU 44 4.014 1.065 3.366 376 HA LEU 44 HA LEU 44 3.586 -1.487 4.822 377 HB2 LEU 44 2HB LEU 44 4.317 -1.285 1.868 378 HB3 LEU 44 3HB LEU 44 3.969 -2.736 2.789 379 HG LEU 44 HG LEU 44 1.575 -1.551 3.144 380 HD11 LEU 44 1HD1 LEU 44 2.499 -0.357 0.519 381 HD12 LEU 44 2HD1 LEU 44 2.162 0.531 2.008 382 HD13 LEU 44 3HD1 LEU 44 0.856 -0.299 1.165 383 HD21 LEU 44 1HD2 LEU 44 2.321 -2.962 0.573 384 HD22 LEU 44 2HD2 LEU 44 0.689 -2.788 1.225 385 HD23 LEU 44 3HD2 LEU 44 1.890 -3.742 2.095 386 H GLU 45 H GLU 45 5.346 -2.832 5.057 387 HA GLU 45 HA GLU 45 7.982 -1.500 5.076 388 HB2 GLU 45 2HB GLU 45 7.025 -2.169 7.265 389 HB3 GLU 45 3HB GLU 45 6.832 -3.824 6.705 390 HG2 GLU 45 2HG GLU 45 9.288 -4.053 6.546 391 HG3 GLU 45 3HG GLU 45 9.473 -2.389 7.102 392 H LEU 46 H LEU 46 8.934 -2.034 3.210 393 HA LEU 46 HA LEU 46 8.630 -4.717 2.006 394 HB2 LEU 46 2HB LEU 46 7.899 -2.779 0.687 395 HB3 LEU 46 3HB LEU 46 9.471 -2.028 0.838 396 HG LEU 46 HG LEU 46 9.373 -4.727 -0.520 397 HD11 LEU 46 1HD1 LEU 46 8.439 -2.207 -1.923 398 HD12 LEU 46 2HD1 LEU 46 7.448 -3.618 -1.547 399 HD13 LEU 46 3HD1 LEU 46 8.775 -3.759 -2.698 400 HD21 LEU 46 1HD2 LEU 46 11.125 -3.745 -1.941 401 HD22 LEU 46 2HD2 LEU 46 11.534 -3.578 -0.234 402 HD23 LEU 46 3HD2 LEU 46 10.922 -2.189 -1.134 403 H ARG 47 H ARG 47 10.255 -6.073 2.419 404 HA ARG 47 HA ARG 47 12.791 -5.045 3.546 405 HB2 ARG 47 2HB ARG 47 11.572 -7.840 3.679 406 HB3 ARG 47 3HB ARG 47 13.000 -7.294 4.549 407 HG2 ARG 47 2HG ARG 47 11.648 -5.812 5.934 408 HG3 ARG 47 3HG ARG 47 10.202 -6.197 4.995 409 HD2 ARG 47 2HD ARG 47 10.357 -8.556 5.717 410 HD3 ARG 47 3HD ARG 47 11.807 -8.178 6.653 411 HE ARG 47 HE ARG 47 9.732 -6.494 7.522 412 HH11 ARG 47 1HH1 ARG 47 10.519 -9.936 7.587 413 HH12 ARG 47 2HH1 ARG 47 9.637 -10.227 9.054 414 HH21 ARG 47 1HH2 ARG 47 8.612 -6.893 9.458 415 HH22 ARG 47 2HH2 ARG 47 8.557 -8.496 10.109 416 H THR 48 H THR 48 14.183 -4.766 1.779 417 HA THR 48 HA THR 48 14.583 -7.065 -0.060 418 HB THR 48 HB THR 48 15.370 -4.146 -0.514 419 HG1 THR 48 HG1 THR 48 13.453 -3.891 -1.334 420 HG21 THR 48 1HG2 THR 48 16.819 -5.701 -1.780 421 HG22 THR 48 2HG2 THR 48 15.724 -4.849 -2.872 422 HG23 THR 48 3HG2 THR 48 15.393 -6.521 -2.420 423 H ASN 49 H ASN 49 16.009 -8.260 1.145 424 HA ASN 49 HA ASN 49 18.004 -9.081 1.812 425 HB2 ASN 49 2HB ASN 49 19.213 -6.807 0.171 426 HB3 ASN 49 3HB ASN 49 20.038 -8.282 0.666 427 HD21 ASN 49 1HD2 ASN 49 19.565 -7.205 -2.017 428 HD22 ASN 49 2HD2 ASN 49 18.739 -8.452 -2.878 429 H GLY 50 H GLY 50 16.710 -7.354 3.602 430 HA2 GLY 50 2HA GLY 50 17.371 -6.944 5.842 431 HA3 GLY 50 3HA GLY 50 18.994 -6.547 5.296 432 H LYS 51 H LYS 51 17.156 -4.950 3.146 433 HA LYS 51 HA LYS 51 17.325 -2.394 4.538 434 HB2 LYS 51 2HB LYS 51 16.383 -3.074 1.712 435 HB3 LYS 51 3HB LYS 51 16.610 -1.445 2.343 436 HG2 LYS 51 2HG LYS 51 19.017 -1.791 2.536 437 HG3 LYS 51 3HG LYS 51 18.837 -3.488 2.078 438 HD2 LYS 51 2HD LYS 51 19.641 -2.125 0.176 439 HD3 LYS 51 3HD LYS 51 18.061 -2.837 -0.159 440 HE2 LYS 51 2HE LYS 51 18.154 -0.513 -0.932 441 HE3 LYS 51 3HE LYS 51 16.980 -0.675 0.373 442 HZ1 LYS 51 1HZ LYS 51 18.303 1.286 0.699 443 HZ2 LYS 51 2HZ LYS 51 19.741 0.407 0.585 444 HZ3 LYS 51 3HZ LYS 51 18.712 0.165 1.901 445 H LYS 52 H LYS 52 15.615 -1.386 5.499 446 HA LYS 52 HA LYS 52 12.874 -2.396 5.088 447 HB2 LYS 52 2HB LYS 52 13.667 -2.184 7.447 448 HB3 LYS 52 3HB LYS 52 13.910 -0.455 7.210 449 HG2 LYS 52 2HG LYS 52 11.498 -0.163 6.790 450 HG3 LYS 52 3HG LYS 52 11.242 -1.896 6.983 451 HD2 LYS 52 2HD LYS 52 12.229 0.002 9.144 452 HD3 LYS 52 3HD LYS 52 10.592 -0.632 9.009 453 HE2 LYS 52 2HE LYS 52 11.572 -2.958 9.261 454 HE3 LYS 52 3HE LYS 52 13.123 -2.193 9.629 455 HZ1 LYS 52 1HZ LYS 52 11.885 -2.780 11.633 456 HZ2 LYS 52 2HZ LYS 52 10.598 -1.794 11.154 457 HZ3 LYS 52 3HZ LYS 52 12.100 -1.109 11.529 458 H GLU 53 H GLU 53 12.267 -1.493 3.240 459 HA GLU 53 HA GLU 53 12.508 1.415 2.782 460 HB2 GLU 53 2HB GLU 53 11.687 -0.818 0.867 461 HB3 GLU 53 3HB GLU 53 11.945 0.874 0.445 462 HG2 GLU 53 2HG GLU 53 14.334 0.668 1.000 463 HG3 GLU 53 3HG GLU 53 14.083 -1.016 1.465 464 H ASN 54 H ASN 54 10.784 2.537 3.485 465 HA ASN 54 HA ASN 54 8.184 1.230 3.863 466 HB2 ASN 54 2HB ASN 54 9.232 3.934 4.795 467 HB3 ASN 54 3HB ASN 54 7.595 3.365 5.086 468 HD21 ASN 54 1HD2 ASN 54 10.651 1.495 5.323 469 HD22 ASN 54 2HD2 ASN 54 10.486 1.178 7.005 470 H TYR 55 H TYR 55 6.788 1.314 2.233 471 HA TYR 55 HA TYR 55 6.798 3.589 0.332 472 HB2 TYR 55 2HB TYR 55 5.765 0.731 0.055 473 HB3 TYR 55 3HB TYR 55 5.484 1.990 -1.140 474 HD1 TYR 55 HD1 TYR 55 7.113 2.438 -2.816 475 HD2 TYR 55 HD2 TYR 55 8.204 0.030 0.518 476 HE1 TYR 55 HE1 TYR 55 9.184 1.806 -3.956 477 HE2 TYR 55 HE2 TYR 55 10.276 -0.595 -0.625 478 HH TYR 55 HH TYR 55 11.193 -0.742 -2.816 479 H THR 56 H THR 56 5.218 5.019 0.730 480 HA THR 56 HA THR 56 2.665 4.235 1.911 481 HB THR 56 HB THR 56 3.633 6.962 0.930 482 HG1 THR 56 HG1 THR 56 4.385 5.550 3.077 483 HG21 THR 56 1HG2 THR 56 1.161 6.835 1.098 484 HG22 THR 56 2HG2 THR 56 1.822 7.874 2.360 485 HG23 THR 56 3HG2 THR 56 1.299 6.238 2.756 486 H VAL 57 H VAL 57 1.572 3.065 0.426 487 HA VAL 57 HA VAL 57 1.266 3.938 -2.361 488 HB VAL 57 HB VAL 57 0.157 1.446 -0.965 489 HG11 VAL 57 1HG1 VAL 57 0.406 2.083 -3.925 490 HG12 VAL 57 2HG1 VAL 57 -1.091 2.066 -2.994 491 HG13 VAL 57 3HG1 VAL 57 -0.192 0.570 -3.242 492 HG21 VAL 57 1HG2 VAL 57 1.989 0.179 -2.027 493 HG22 VAL 57 2HG2 VAL 57 2.621 1.406 -0.926 494 HG23 VAL 57 3HG2 VAL 57 2.664 1.680 -2.669 495 H GLU 58 H GLU 58 -0.127 5.576 -2.444 496 HA GLU 58 HA GLU 58 -2.411 5.826 -0.646 497 HB2 GLU 58 2HB GLU 58 -1.442 7.675 -2.872 498 HB3 GLU 58 3HB GLU 58 -2.663 8.066 -1.660 499 HG2 GLU 58 2HG GLU 58 -0.914 7.819 0.120 500 HG3 GLU 58 3HG GLU 58 0.280 7.526 -1.138 501 H VAL 59 H VAL 59 -3.973 4.457 -1.209 502 HA VAL 59 HA VAL 59 -4.818 4.137 -4.017 503 HB VAL 59 HB VAL 59 -5.553 2.402 -1.611 504 HG11 VAL 59 1HG1 VAL 59 -6.200 0.730 -3.320 505 HG12 VAL 59 2HG1 VAL 59 -5.832 1.900 -4.588 506 HG13 VAL 59 3HG1 VAL 59 -7.144 2.216 -3.452 507 HG21 VAL 59 1HG2 VAL 59 -3.347 1.909 -3.649 508 HG22 VAL 59 2HG2 VAL 59 -3.873 0.764 -2.412 509 HG23 VAL 59 3HG2 VAL 59 -3.117 2.287 -1.938 510 H GLU 60 H GLU 60 -6.535 5.318 -4.583 511 HA GLU 60 HA GLU 60 -8.361 6.478 -2.573 512 HB2 GLU 60 2HB GLU 60 -7.192 8.046 -4.032 513 HB3 GLU 60 3HB GLU 60 -7.703 7.170 -5.469 514 HG2 GLU 60 2HG GLU 60 -10.077 7.818 -4.950 515 HG3 GLU 60 3HG GLU 60 -9.477 8.785 -3.605 516 H ARG 61 H ARG 61 -10.579 6.169 -2.699 517 HA ARG 61 HA ARG 61 -11.639 3.887 -4.049 518 HB2 ARG 61 2HB ARG 61 -12.531 4.653 -1.881 519 HB3 ARG 61 3HB ARG 61 -13.033 6.178 -2.604 520 HG2 ARG 61 2HG ARG 61 -15.012 4.900 -2.444 521 HG3 ARG 61 3HG ARG 61 -14.546 4.787 -4.140 522 HD2 ARG 61 2HD ARG 61 -15.160 2.595 -3.542 523 HD3 ARG 61 3HD ARG 61 -13.399 2.560 -3.479 524 HE ARG 61 HE ARG 61 -13.842 3.085 -0.978 525 HH11 ARG 61 1HH1 ARG 61 -15.741 0.892 -2.967 526 HH12 ARG 61 2HH1 ARG 61 -16.221 -0.093 -1.627 527 HH21 ARG 61 1HH2 ARG 61 -14.502 1.834 0.757 528 HH22 ARG 61 2HH2 ARG 61 -15.513 0.446 0.499 529 H GLN 62 H GLN 62 -12.602 3.759 -5.965 530 HA GLN 62 HA GLN 62 -13.783 6.128 -7.263 531 HB2 GLN 62 2HB GLN 62 -11.995 4.049 -8.603 532 HB3 GLN 62 3HB GLN 62 -13.020 5.162 -9.497 533 HG2 GLN 62 2HG GLN 62 -10.759 5.959 -7.646 534 HG3 GLN 62 3HG GLN 62 -10.692 5.951 -9.407 535 HE21 GLN 62 1HE2 GLN 62 -10.373 8.129 -7.431 536 HE22 GLN 62 2HE2 GLN 62 -11.481 9.358 -7.922 537 H GLY 63 H GLY 63 -15.774 5.542 -6.563 538 HA2 GLY 63 2HA GLY 63 -17.843 4.585 -6.647 539 HA3 GLY 63 3HA GLY 63 -17.301 3.672 -8.044 540 H ASN 64 H ASN 64 -17.135 1.521 -7.798 541 HA ASN 64 HA ASN 64 -17.389 0.319 -5.129 542 HB2 ASN 64 2HB ASN 64 -17.431 -1.026 -7.864 543 HB3 ASN 64 3HB ASN 64 -17.848 -1.783 -6.322 544 HD21 ASN 64 1HD2 ASN 64 -19.830 -1.065 -5.243 545 HD22 ASN 64 2HD2 ASN 64 -21.088 -0.329 -6.171 546 H THR 65 H THR 65 -15.001 0.837 -7.595 547 HA THR 65 HA THR 65 -13.179 -1.256 -6.582 548 HB THR 65 HB THR 65 -11.823 -0.627 -8.672 549 HG1 THR 65 HG1 THR 65 -12.808 1.435 -9.030 550 HG21 THR 65 1HG2 THR 65 -13.289 -1.834 -10.235 551 HG22 THR 65 2HG2 THR 65 -14.652 -1.624 -9.134 552 HG23 THR 65 3HG2 THR 65 -13.276 -2.621 -8.654 553 H TRP 66 H TRP 66 -10.767 -0.536 -6.808 554 HA TRP 66 HA TRP 66 -10.315 2.104 -5.525 555 HB2 TRP 66 2HB TRP 66 -9.024 -0.606 -4.947 556 HB3 TRP 66 3HB TRP 66 -8.395 0.916 -4.329 557 HD1 TRP 66 HD1 TRP 66 -11.221 -1.596 -3.759 558 HE1 TRP 66 HE1 TRP 66 -12.430 -1.000 -1.571 559 HE3 TRP 66 HE3 TRP 66 -8.990 2.907 -2.784 560 HZ2 TRP 66 HZ2 TRP 66 -12.440 1.096 0.306 561 HZ3 TRP 66 HZ3 TRP 66 -9.662 4.152 -0.768 562 HH2 TRP 66 HH2 TRP 66 -11.366 3.257 0.743 563 H THR 67 H THR 67 -8.133 3.009 -5.962 564 HA THR 67 HA THR 67 -6.635 1.843 -8.199 565 HB THR 67 HB THR 67 -8.269 3.310 -9.332 566 HG1 THR 67 HG1 THR 67 -6.346 4.946 -9.981 567 HG21 THR 67 1HG2 THR 67 -7.095 5.591 -7.700 568 HG22 THR 67 2HG2 THR 67 -8.725 4.937 -7.526 569 HG23 THR 67 3HG2 THR 67 -8.255 5.758 -9.017 570 H VAL 68 H VAL 68 -4.467 2.137 -7.978 571 HA VAL 68 HA VAL 68 -3.391 3.622 -5.741 572 HB VAL 68 HB VAL 68 -1.941 2.225 -8.038 573 HG11 VAL 68 1HG1 VAL 68 -0.823 3.246 -5.399 574 HG12 VAL 68 2HG1 VAL 68 -0.500 3.924 -6.996 575 HG13 VAL 68 3HG1 VAL 68 0.067 2.302 -6.593 576 HG21 VAL 68 1HG2 VAL 68 -2.567 1.228 -5.233 577 HG22 VAL 68 2HG2 VAL 68 -1.564 0.387 -6.415 578 HG23 VAL 68 3HG2 VAL 68 -3.278 0.638 -6.741 579 H LYS 69 H LYS 69 -3.157 5.766 -5.818 580 HA LYS 69 HA LYS 69 -3.116 7.272 -8.286 581 HB2 LYS 69 2HB LYS 69 -2.842 8.236 -5.409 582 HB3 LYS 69 3HB LYS 69 -3.146 9.246 -6.818 583 HG2 LYS 69 2HG LYS 69 -5.023 7.168 -5.653 584 HG3 LYS 69 3HG LYS 69 -5.212 8.918 -5.574 585 HD2 LYS 69 2HD LYS 69 -5.306 7.234 -8.106 586 HD3 LYS 69 3HD LYS 69 -6.701 7.908 -7.267 587 HE2 LYS 69 2HE LYS 69 -4.492 9.511 -8.601 588 HE3 LYS 69 3HE LYS 69 -6.114 9.254 -9.240 589 HZ1 LYS 69 1HZ LYS 69 -5.436 10.704 -6.740 590 HZ2 LYS 69 2HZ LYS 69 -7.003 10.434 -7.316 591 HZ3 LYS 69 3HZ LYS 69 -5.928 11.402 -8.197 592 H ARG 70 H ARG 70 -0.873 6.595 -5.625 593 HA ARG 70 HA ARG 70 1.403 6.633 -7.357 594 HB2 ARG 70 2HB ARG 70 1.176 9.086 -6.992 595 HB3 ARG 70 3HB ARG 70 1.211 8.844 -5.250 596 HG2 ARG 70 2HG ARG 70 3.532 7.944 -5.455 597 HG3 ARG 70 3HG ARG 70 3.487 8.281 -7.184 598 HD2 ARG 70 2HD ARG 70 3.265 10.694 -6.716 599 HD3 ARG 70 3HD ARG 70 3.252 10.362 -4.977 600 HE ARG 70 HE ARG 70 5.566 9.268 -6.237 601 HH11 ARG 70 1HH1 ARG 70 4.291 12.335 -5.030 602 HH12 ARG 70 2HH1 ARG 70 5.868 13.003 -4.762 603 HH21 ARG 70 1HH2 ARG 70 7.590 10.151 -5.869 604 HH22 ARG 70 2HH2 ARG 70 7.742 11.758 -5.240 605 H ILE 71 H ILE 71 3.057 5.483 -6.496 606 HA ILE 71 HA ILE 71 2.973 4.614 -3.672 607 HB ILE 71 HB ILE 71 4.597 3.500 -6.015 608 HG12 ILE 71 2HG1 ILE 71 2.132 2.394 -4.601 609 HG13 ILE 71 3HG1 ILE 71 2.228 2.924 -6.273 610 HG21 ILE 71 1HG2 ILE 71 5.240 1.680 -4.465 611 HG22 ILE 71 2HG2 ILE 71 4.373 2.493 -3.161 612 HG23 ILE 71 3HG2 ILE 71 5.792 3.252 -3.880 613 HD11 ILE 71 1HD1 ILE 71 2.179 0.533 -6.150 614 HD12 ILE 71 2HD1 ILE 71 3.579 0.508 -5.079 615 HD13 ILE 71 3HD1 ILE 71 3.753 1.051 -6.751 616 H THR 72 H THR 72 4.084 6.099 -2.458 617 HA THR 72 HA THR 72 6.553 7.345 -3.515 618 HB THR 72 HB THR 72 4.912 8.274 -1.109 619 HG1 THR 72 HG1 THR 72 3.683 9.430 -2.431 620 HG21 THR 72 1HG2 THR 72 6.070 10.437 -1.500 621 HG22 THR 72 2HG2 THR 72 6.966 9.718 -2.838 622 HG23 THR 72 3HG2 THR 72 7.231 9.143 -1.190 623 H ARG 73 H ARG 73 8.263 6.060 -2.886 624 HA ARG 73 HA ARG 73 8.434 4.801 -0.276 625 HB2 ARG 73 2HB ARG 73 9.548 3.763 -2.214 626 HB3 ARG 73 3HB ARG 73 10.521 5.202 -2.464 627 HG2 ARG 73 2HG ARG 73 11.645 4.806 -0.285 628 HG3 ARG 73 3HG ARG 73 10.691 3.337 -0.065 629 HD2 ARG 73 2HD ARG 73 13.015 2.930 -0.902 630 HD3 ARG 73 3HD ARG 73 11.758 2.287 -1.962 631 HE ARG 73 HE ARG 73 12.588 4.924 -2.722 632 HH11 ARG 73 1HH1 ARG 73 13.480 1.523 -2.983 633 HH12 ARG 73 2HH1 ARG 73 14.377 1.751 -4.452 634 HH21 ARG 73 1HH2 ARG 73 13.741 5.200 -4.659 635 HH22 ARG 73 2HH2 ARG 73 14.522 3.843 -5.401 636 H THR 74 H THR 74 9.795 5.434 1.411 637 HA THR 74 HA THR 74 10.336 8.190 1.863 638 HB THR 74 HB THR 74 9.928 6.744 3.754 639 HG1 THR 74 HG1 THR 74 11.437 8.484 4.048 640 HG21 THR 74 1HG2 THR 74 12.450 5.182 3.076 641 HG22 THR 74 2HG2 THR 74 10.800 4.582 2.904 642 HG23 THR 74 3HG2 THR 74 11.439 4.950 4.508 643 H VAL 75 H VAL 75 11.897 9.355 0.912 644 HA VAL 75 HA VAL 75 14.201 8.076 -0.357 645 HB VAL 75 HB VAL 75 13.006 9.657 -1.753 646 HG11 VAL 75 1HG1 VAL 75 12.793 12.058 -1.269 647 HG12 VAL 75 2HG1 VAL 75 13.544 11.818 0.309 648 HG13 VAL 75 3HG1 VAL 75 11.978 11.083 -0.040 649 HG21 VAL 75 1HG2 VAL 75 15.442 9.524 -2.087 650 HG22 VAL 75 2HG2 VAL 75 15.686 10.845 -0.945 651 HG23 VAL 75 3HG2 VAL 75 14.848 11.144 -2.469 652 H GLY 76 H GLY 76 15.731 7.583 1.124 653 HA2 GLY 76 2HA GLY 76 16.681 9.550 3.108 654 HA3 GLY 76 3HA GLY 76 17.140 7.853 3.002 655 H SER 77 H SER 77 17.649 7.897 0.154 656 HA SER 77 HA SER 77 20.297 9.190 0.154 657 HB2 SER 77 2HB SER 77 20.699 7.612 -1.808 658 HB3 SER 77 3HB SER 77 20.385 6.813 -0.269 659 HG SER 77 HG SER 77 18.992 6.637 -2.570 660 H LEU 78 H LEU 78 20.330 11.159 -0.793 661 HA LEU 78 HA LEU 78 18.511 11.889 -2.936 662 HB2 LEU 78 2HB LEU 78 19.678 14.115 -2.840 663 HB3 LEU 78 3HB LEU 78 18.928 13.607 -1.344 664 HG LEU 78 HG LEU 78 21.275 12.915 -0.530 665 HD11 LEU 78 1HD1 LEU 78 22.209 14.563 -2.901 666 HD12 LEU 78 2HD1 LEU 78 22.489 12.838 -2.644 667 HD13 LEU 78 3HD1 LEU 78 23.224 14.018 -1.561 668 HD21 LEU 78 1HD2 LEU 78 21.892 15.194 0.147 669 HD22 LEU 78 2HD2 LEU 78 20.156 14.930 0.297 670 HD23 LEU 78 3HD2 LEU 78 20.790 15.863 -1.062 671 H GLU 79 H GLU 79 19.687 13.248 -4.764 672 HA GLU 79 HA GLU 79 21.936 11.745 -5.937 673 HB2 GLU 79 2HB GLU 79 20.706 11.640 -8.115 674 HB3 GLU 79 3HB GLU 79 19.898 10.725 -6.848 675 HG2 GLU 79 2HG GLU 79 18.346 12.695 -6.511 676 HG3 GLU 79 3HG GLU 79 19.088 13.444 -7.920 677 H HIS 80 H HIS 80 22.020 13.117 -8.363 678 HA HIS 80 HA HIS 80 23.255 15.575 -7.548 679 HB2 HIS 80 2HB HIS 80 22.703 14.569 -10.379 680 HB3 HIS 80 3HB HIS 80 23.788 15.882 -9.945 681 HD1 HIS 80 HD1 HIS 80 26.111 15.248 -8.986 682 HD2 HIS 80 HD2 HIS 80 23.735 11.988 -9.991 683 HE1 HIS 80 HE1 HIS 80 27.647 13.267 -9.018 684 HE2 HIS 80 HE2 HIS 80 26.150 11.300 -9.411 685 H HIS 81 H HIS 81 21.790 17.147 -6.839 686 HA HIS 81 HA HIS 81 19.584 17.949 -8.590 687 HB2 HIS 81 2HB HIS 81 19.011 19.618 -6.892 688 HB3 HIS 81 3HB HIS 81 19.241 18.054 -6.123 689 HD1 HIS 81 HD1 HIS 81 21.444 17.787 -4.667 690 HD2 HIS 81 HD2 HIS 81 20.586 21.658 -5.906 691 HE1 HIS 81 HE1 HIS 81 22.843 19.283 -3.222 692 HE2 HIS 81 HE2 HIS 81 22.420 21.598 -4.090 693 H HIS 82 H HIS 82 19.793 19.446 -10.148 694 HA HIS 82 HA HIS 82 22.428 20.385 -10.833 695 HB2 HIS 82 2HB HIS 82 20.782 19.527 -12.513 696 HB3 HIS 82 3HB HIS 82 19.767 20.931 -12.215 697 HD1 HIS 82 HD1 HIS 82 19.929 22.169 -14.367 698 HD2 HIS 82 HD2 HIS 82 23.662 20.933 -13.024 699 HE1 HIS 82 HE1 HIS 82 21.583 23.177 -15.954 700 HE2 HIS 82 HE2 HIS 82 23.832 22.578 -15.009 701 H HIS 83 H HIS 83 19.525 21.800 -9.472 702 HA HIS 83 HA HIS 83 20.916 24.357 -8.976 703 HB2 HIS 83 2HB HIS 83 18.084 24.073 -10.084 704 HB3 HIS 83 3HB HIS 83 18.757 25.579 -9.466 705 HD1 HIS 83 HD1 HIS 83 20.984 26.421 -10.826 706 HD2 HIS 83 HD2 HIS 83 18.524 23.697 -12.779 707 HE1 HIS 83 HE1 HIS 83 21.577 26.588 -13.252 708 HE2 HIS 83 HE2 HIS 83 19.904 25.130 -14.425 709 H HIS 84 H HIS 84 19.666 25.684 -7.362 710 HA HIS 84 HA HIS 84 19.016 24.018 -5.033 711 HB2 HIS 84 2HB HIS 84 19.658 26.997 -5.322 712 HB3 HIS 84 3HB HIS 84 19.269 26.225 -3.791 713 HD1 HIS 84 HD1 HIS 84 21.706 27.317 -3.244 714 HD2 HIS 84 HD2 HIS 84 21.684 23.991 -5.738 715 HE1 HIS 84 HE1 HIS 84 24.047 26.420 -3.198 716 HE2 HIS 84 HE2 HIS 84 24.022 24.453 -4.759 717 H HIS 85 H HIS 85 16.992 23.990 -6.957 718 HA HIS 85 HA HIS 85 14.880 25.780 -5.911 719 HB2 HIS 85 2HB HIS 85 15.230 24.503 -8.654 720 HB3 HIS 85 3HB HIS 85 13.695 25.189 -8.132 721 HD1 HIS 85 HD1 HIS 85 13.366 27.541 -8.802 722 HD2 HIS 85 HD2 HIS 85 17.402 26.608 -8.513 723 HE1 HIS 85 HE1 HIS 85 14.589 29.604 -9.528 724 HE2 HIS 85 HE2 HIS 85 16.997 28.923 -9.586 Start of MODEL 12 1 H1 MET 1 1H MET 1 -21.344 -1.764 -1.688 2 H2 MET 1 2H MET 1 -20.658 -0.253 -1.375 3 H3 MET 1 3H MET 1 -21.734 -0.937 -0.269 4 HA MET 1 HA MET 1 -19.115 -2.080 -0.996 5 HB2 MET 1 2HB MET 1 -18.346 -1.289 1.238 6 HB3 MET 1 3HB MET 1 -18.829 0.057 0.217 7 HG2 MET 1 2HG MET 1 -21.036 0.093 1.409 8 HG3 MET 1 3HG MET 1 -20.411 -1.133 2.511 9 HE1 MET 1 1HE MET 1 -21.615 1.812 3.309 10 HE2 MET 1 2HE MET 1 -20.501 2.215 4.615 11 HE3 MET 1 3HE MET 1 -21.137 0.577 4.479 12 HA PRO 2 HA PRO 2 -20.754 -5.739 1.253 13 HB2 PRO 2 2HB PRO 2 -18.310 -6.754 2.147 14 HB3 PRO 2 3HB PRO 2 -18.968 -7.042 0.523 15 HG2 PRO 2 2HG PRO 2 -16.927 -5.020 1.391 16 HG3 PRO 2 3HG PRO 2 -16.939 -6.054 -0.057 17 HD2 PRO 2 2HD PRO 2 -17.641 -3.457 -0.193 18 HD3 PRO 2 3HD PRO 2 -18.468 -4.680 -1.189 19 H SER 3 H SER 3 -18.019 -4.002 2.733 20 HA SER 3 HA SER 3 -19.585 -2.956 4.896 21 HB2 SER 3 2HB SER 3 -19.033 -5.218 5.828 22 HB3 SER 3 3HB SER 3 -17.320 -4.908 5.562 23 HG SER 3 HG SER 3 -18.422 -4.457 7.739 24 H GLU 4 H GLU 4 -18.463 -1.193 5.869 25 HA GLU 4 HA GLU 4 -16.725 0.147 4.056 26 HB2 GLU 4 2HB GLU 4 -16.926 2.060 5.523 27 HB3 GLU 4 3HB GLU 4 -18.489 1.283 5.400 28 HG2 GLU 4 2HG GLU 4 -18.518 1.651 7.656 29 HG3 GLU 4 3HG GLU 4 -17.650 0.117 7.687 30 H GLU 5 H GLU 5 -16.227 -1.592 7.053 31 HA GLU 5 HA GLU 5 -13.478 -0.839 7.479 32 HB2 GLU 5 2HB GLU 5 -13.513 -2.619 9.215 33 HB3 GLU 5 3HB GLU 5 -14.909 -1.550 9.356 34 HG2 GLU 5 2HG GLU 5 -16.253 -3.261 8.084 35 HG3 GLU 5 3HG GLU 5 -14.861 -4.334 8.163 36 H GLU 6 H GLU 6 -15.190 -3.394 5.809 37 HA GLU 6 HA GLU 6 -13.115 -5.259 5.406 38 HB2 GLU 6 2HB GLU 6 -15.557 -5.730 5.122 39 HB3 GLU 6 3HB GLU 6 -15.575 -4.722 3.684 40 HG2 GLU 6 2HG GLU 6 -15.539 -7.126 3.148 41 HG3 GLU 6 3HG GLU 6 -14.123 -6.289 2.516 42 H GLU 7 H GLU 7 -14.128 -2.364 3.702 43 HA GLU 7 HA GLU 7 -12.694 -2.481 1.345 44 HB2 GLU 7 2HB GLU 7 -13.241 -0.041 3.077 45 HB3 GLU 7 3HB GLU 7 -12.761 0.002 1.385 46 HG2 GLU 7 2HG GLU 7 -15.323 -1.201 2.455 47 HG3 GLU 7 3HG GLU 7 -15.177 0.376 1.683 48 H LYS 8 H LYS 8 -11.556 -1.333 4.558 49 HA LYS 8 HA LYS 8 -9.007 -0.397 3.738 50 HB2 LYS 8 2HB LYS 8 -9.918 -1.377 6.478 51 HB3 LYS 8 3HB LYS 8 -8.320 -0.708 6.180 52 HG2 LYS 8 2HG LYS 8 -9.527 1.065 7.100 53 HG3 LYS 8 3HG LYS 8 -9.513 1.410 5.370 54 HD2 LYS 8 2HD LYS 8 -11.809 0.661 5.141 55 HD3 LYS 8 3HD LYS 8 -11.827 0.049 6.799 56 HE2 LYS 8 2HE LYS 8 -11.543 2.381 7.627 57 HE3 LYS 8 3HE LYS 8 -11.610 2.958 5.960 58 HZ1 LYS 8 1HZ LYS 8 -13.779 1.528 7.406 59 HZ2 LYS 8 2HZ LYS 8 -13.833 1.995 5.781 60 HZ3 LYS 8 3HZ LYS 8 -13.749 3.165 6.990 61 H ARG 9 H ARG 9 -10.134 -3.568 4.755 62 HA ARG 9 HA ARG 9 -7.648 -4.899 5.046 63 HB2 ARG 9 2HB ARG 9 -10.310 -6.132 4.209 64 HB3 ARG 9 3HB ARG 9 -8.947 -6.978 4.943 65 HG2 ARG 9 2HG ARG 9 -9.267 -5.663 7.025 66 HG3 ARG 9 3HG ARG 9 -10.643 -4.843 6.283 67 HD2 ARG 9 2HD ARG 9 -11.549 -6.557 7.668 68 HD3 ARG 9 3HD ARG 9 -11.720 -7.125 6.007 69 HE ARG 9 HE ARG 9 -9.527 -8.024 7.791 70 HH11 ARG 9 1HH1 ARG 9 -12.072 -8.829 5.473 71 HH12 ARG 9 2HH1 ARG 9 -11.680 -10.522 5.476 72 HH21 ARG 9 1HH2 ARG 9 -9.082 -10.244 7.807 73 HH22 ARG 9 2HH2 ARG 9 -9.996 -11.317 6.791 74 H GLN 10 H GLN 10 -9.835 -4.398 2.332 75 HA GLN 10 HA GLN 10 -8.477 -5.889 0.339 76 HB2 GLN 10 2HB GLN 10 -10.246 -3.427 -0.030 77 HB3 GLN 10 3HB GLN 10 -9.850 -4.615 -1.268 78 HG2 GLN 10 2HG GLN 10 -11.173 -6.303 -0.202 79 HG3 GLN 10 3HG GLN 10 -11.364 -5.325 1.254 80 HE21 GLN 10 1HE2 GLN 10 -13.599 -5.281 1.193 81 HE22 GLN 10 2HE2 GLN 10 -14.491 -4.405 0.002 82 H VAL 11 H VAL 11 -8.237 -2.503 1.427 83 HA VAL 11 HA VAL 11 -6.700 -1.451 -0.683 84 HB VAL 11 HB VAL 11 -6.752 -0.511 2.228 85 HG11 VAL 11 1HG1 VAL 11 -5.898 1.003 -0.264 86 HG12 VAL 11 2HG1 VAL 11 -4.826 0.438 1.014 87 HG13 VAL 11 3HG1 VAL 11 -6.024 1.685 1.356 88 HG21 VAL 11 1HG2 VAL 11 -8.436 1.120 1.468 89 HG22 VAL 11 2HG2 VAL 11 -8.982 -0.534 1.227 90 HG23 VAL 11 3HG2 VAL 11 -8.403 0.402 -0.144 91 H LYS 12 H LYS 12 -5.677 -2.853 2.434 92 HA LYS 12 HA LYS 12 -2.904 -2.377 2.235 93 HB2 LYS 12 2HB LYS 12 -4.327 -4.656 3.674 94 HB3 LYS 12 3HB LYS 12 -2.658 -4.161 3.951 95 HG2 LYS 12 2HG LYS 12 -3.451 -1.957 4.743 96 HG3 LYS 12 3HG LYS 12 -5.120 -2.467 4.491 97 HD2 LYS 12 2HD LYS 12 -3.183 -3.836 6.400 98 HD3 LYS 12 3HD LYS 12 -4.320 -2.581 6.885 99 HE2 LYS 12 2HE LYS 12 -5.349 -4.635 7.476 100 HE3 LYS 12 3HE LYS 12 -6.176 -4.121 6.006 101 HZ1 LYS 12 1HZ LYS 12 -4.904 -5.703 4.738 102 HZ2 LYS 12 2HZ LYS 12 -5.594 -6.504 6.053 103 HZ3 LYS 12 3HZ LYS 12 -3.958 -6.105 6.085 104 H GLN 13 H GLN 13 -4.961 -4.928 0.970 105 HA GLN 13 HA GLN 13 -2.884 -6.642 0.012 106 HB2 GLN 13 2HB GLN 13 -5.135 -7.512 0.436 107 HB3 GLN 13 3HB GLN 13 -5.827 -6.425 -0.762 108 HG2 GLN 13 2HG GLN 13 -4.656 -7.612 -2.553 109 HG3 GLN 13 3HG GLN 13 -3.863 -8.651 -1.370 110 HE21 GLN 13 1HE2 GLN 13 -7.260 -7.687 -1.170 111 HE22 GLN 13 2HE2 GLN 13 -7.900 -9.260 -1.483 112 H VAL 14 H VAL 14 -5.056 -4.294 -1.666 113 HA VAL 14 HA VAL 14 -4.020 -4.451 -4.250 114 HB VAL 14 HB VAL 14 -5.176 -1.970 -2.863 115 HG11 VAL 14 1HG1 VAL 14 -4.907 -2.519 -5.849 116 HG12 VAL 14 2HG1 VAL 14 -3.996 -1.321 -4.927 117 HG13 VAL 14 3HG1 VAL 14 -5.738 -1.137 -5.130 118 HG21 VAL 14 1HG2 VAL 14 -6.734 -3.878 -2.805 119 HG22 VAL 14 2HG2 VAL 14 -6.590 -4.075 -4.551 120 HG23 VAL 14 3HG2 VAL 14 -7.337 -2.620 -3.885 121 H ALA 15 H ALA 15 -2.903 -2.640 -1.472 122 HA ALA 15 HA ALA 15 -0.947 -1.012 -2.695 123 HB1 ALA 15 1HB ALA 15 -1.947 -0.531 -0.493 124 HB2 ALA 15 2HB ALA 15 -0.185 -0.608 -0.390 125 HB3 ALA 15 3HB ALA 15 -1.170 -1.960 0.185 126 H LYS 16 H LYS 16 -0.713 -4.139 -0.942 127 HA LYS 16 HA LYS 16 2.126 -4.298 -1.145 128 HB2 LYS 16 2HB LYS 16 1.982 -6.483 -0.159 129 HB3 LYS 16 3HB LYS 16 0.821 -5.445 0.648 130 HG2 LYS 16 2HG LYS 16 -1.020 -6.508 -0.429 131 HG3 LYS 16 3HG LYS 16 0.027 -7.361 -1.553 132 HD2 LYS 16 2HD LYS 16 0.006 -7.832 1.454 133 HD3 LYS 16 3HD LYS 16 -0.895 -8.799 0.283 134 HE2 LYS 16 2HE LYS 16 1.256 -9.385 -0.837 135 HE3 LYS 16 3HE LYS 16 2.121 -8.491 0.416 136 HZ1 LYS 16 1HZ LYS 16 0.345 -10.817 0.922 137 HZ2 LYS 16 2HZ LYS 16 1.279 -9.998 2.064 138 HZ3 LYS 16 3HZ LYS 16 2.035 -10.884 0.843 139 H GLU 17 H GLU 17 -0.509 -5.500 -3.161 140 HA GLU 17 HA GLU 17 0.912 -7.414 -4.670 141 HB2 GLU 17 2HB GLU 17 -1.451 -5.690 -5.553 142 HB3 GLU 17 3HB GLU 17 -0.865 -7.111 -6.408 143 HG2 GLU 17 2HG GLU 17 -2.188 -7.026 -3.691 144 HG3 GLU 17 3HG GLU 17 -2.840 -7.702 -5.173 145 H LYS 18 H LYS 18 0.412 -3.940 -5.109 146 HA LYS 18 HA LYS 18 1.788 -3.770 -7.619 147 HB2 LYS 18 2HB LYS 18 1.008 -1.565 -5.678 148 HB3 LYS 18 3HB LYS 18 1.498 -1.332 -7.354 149 HG2 LYS 18 2HG LYS 18 -1.002 -2.750 -6.380 150 HG3 LYS 18 3HG LYS 18 -0.929 -1.167 -7.150 151 HD2 LYS 18 2HD LYS 18 -0.166 -3.797 -8.488 152 HD3 LYS 18 3HD LYS 18 -1.712 -2.970 -8.686 153 HE2 LYS 18 2HE LYS 18 0.995 -1.837 -9.470 154 HE3 LYS 18 3HE LYS 18 -0.186 -2.532 -10.578 155 HZ1 LYS 18 1HZ LYS 18 -1.727 -0.781 -10.015 156 HZ2 LYS 18 2HZ LYS 18 -0.264 -0.112 -10.538 157 HZ3 LYS 18 3HZ LYS 18 -0.646 -0.129 -8.893 158 H LEU 19 H LEU 19 2.757 -3.601 -4.259 159 HA LEU 19 HA LEU 19 5.430 -2.661 -4.727 160 HB2 LEU 19 2HB LEU 19 4.202 -4.209 -2.416 161 HB3 LEU 19 3HB LEU 19 5.880 -3.686 -2.432 162 HG LEU 19 HG LEU 19 3.433 -1.884 -2.448 163 HD11 LEU 19 1HD1 LEU 19 5.584 -2.286 -0.350 164 HD12 LEU 19 2HD1 LEU 19 3.919 -2.869 -0.264 165 HD13 LEU 19 3HD1 LEU 19 4.243 -1.138 -0.265 166 HD21 LEU 19 1HD2 LEU 19 5.016 0.000 -2.350 167 HD22 LEU 19 2HD2 LEU 19 5.160 -0.895 -3.858 168 HD23 LEU 19 3HD2 LEU 19 6.367 -1.113 -2.584 169 H LEU 20 H LEU 20 3.902 -5.845 -4.665 170 HA LEU 20 HA LEU 20 6.237 -7.451 -4.791 171 HB2 LEU 20 2HB LEU 20 3.386 -8.008 -5.699 172 HB3 LEU 20 3HB LEU 20 4.642 -9.235 -5.629 173 HG LEU 20 HG LEU 20 3.665 -7.683 -3.202 174 HD11 LEU 20 1HD1 LEU 20 2.869 -10.486 -4.038 175 HD12 LEU 20 2HD1 LEU 20 1.838 -9.051 -4.085 176 HD13 LEU 20 3HD1 LEU 20 2.414 -9.665 -2.538 177 HD21 LEU 20 1HD2 LEU 20 5.940 -8.516 -2.952 178 HD22 LEU 20 2HD2 LEU 20 5.421 -10.145 -3.395 179 HD23 LEU 20 3HD2 LEU 20 4.833 -9.404 -1.904 180 H GLU 21 H GLU 21 4.277 -5.850 -7.229 181 HA GLU 21 HA GLU 21 5.274 -6.905 -9.614 182 HB2 GLU 21 2HB GLU 21 4.431 -4.038 -8.999 183 HB3 GLU 21 3HB GLU 21 4.631 -4.694 -10.620 184 HG2 GLU 21 2HG GLU 21 2.619 -5.696 -8.588 185 HG3 GLU 21 3HG GLU 21 2.258 -4.548 -9.874 186 H GLN 22 H GLN 22 6.572 -4.375 -7.516 187 HA GLN 22 HA GLN 22 8.747 -3.635 -9.285 188 HB2 GLN 22 2HB GLN 22 8.146 -2.829 -6.405 189 HB3 GLN 22 3HB GLN 22 9.377 -2.091 -7.432 190 HG2 GLN 22 2HG GLN 22 7.643 -1.282 -8.969 191 HG3 GLN 22 3HG GLN 22 6.394 -2.064 -7.996 192 HE21 GLN 22 1HE2 GLN 22 5.910 -1.210 -5.939 193 HE22 GLN 22 2HE2 GLN 22 6.340 0.404 -5.510 194 H SER 23 H SER 23 8.460 -5.227 -6.096 195 HA SER 23 HA SER 23 11.118 -6.466 -6.453 196 HB2 SER 23 2HB SER 23 11.332 -4.490 -4.933 197 HB3 SER 23 3HB SER 23 10.135 -5.205 -3.851 198 HG SER 23 HG SER 23 11.810 -6.135 -2.977 199 HA PRO 24 HA PRO 24 8.219 -9.874 -5.259 200 HB2 PRO 24 2HB PRO 24 9.032 -11.677 -7.118 201 HB3 PRO 24 3HB PRO 24 7.928 -10.352 -7.540 202 HG2 PRO 24 2HG PRO 24 10.885 -10.557 -8.015 203 HG3 PRO 24 3HG PRO 24 9.607 -9.972 -9.105 204 HD2 PRO 24 2HD PRO 24 11.221 -8.300 -7.599 205 HD3 PRO 24 3HD PRO 24 9.596 -7.859 -8.171 206 H ASN 25 H ASN 25 11.499 -9.239 -5.050 207 HA ASN 25 HA ASN 25 12.432 -11.839 -4.111 208 HB2 ASN 25 2HB ASN 25 13.845 -9.138 -4.243 209 HB3 ASN 25 3HB ASN 25 14.622 -10.677 -3.868 210 HD21 ASN 25 1HD2 ASN 25 14.750 -12.271 -5.533 211 HD22 ASN 25 2HD2 ASN 25 14.710 -11.812 -7.196 212 H SER 26 H SER 26 10.462 -9.799 -2.676 213 HA SER 26 HA SER 26 11.575 -10.056 0.032 214 HB2 SER 26 2HB SER 26 10.996 -7.591 0.395 215 HB3 SER 26 3HB SER 26 12.379 -7.885 -0.663 216 HG SER 26 HG SER 26 9.874 -7.726 -1.882 217 H LYS 27 H LYS 27 10.020 -10.274 1.601 218 HA LYS 27 HA LYS 27 7.225 -10.530 0.777 219 HB2 LYS 27 2HB LYS 27 8.210 -12.260 2.267 220 HB3 LYS 27 3HB LYS 27 8.525 -11.035 3.488 221 HG2 LYS 27 2HG LYS 27 6.074 -10.634 3.705 222 HG3 LYS 27 3HG LYS 27 5.772 -11.897 2.511 223 HD2 LYS 27 2HD LYS 27 7.086 -12.285 5.230 224 HD3 LYS 27 3HD LYS 27 5.423 -12.711 4.824 225 HE2 LYS 27 2HE LYS 27 7.934 -13.961 3.648 226 HE3 LYS 27 3HE LYS 27 6.840 -14.708 4.812 227 HZ1 LYS 27 1HZ LYS 27 6.186 -13.958 2.016 228 HZ2 LYS 27 2HZ LYS 27 5.082 -14.572 3.127 229 HZ3 LYS 27 3HZ LYS 27 6.376 -15.527 2.624 230 H VAL 28 H VAL 28 5.608 -9.126 1.427 231 HA VAL 28 HA VAL 28 6.523 -6.485 2.346 232 HB VAL 28 HB VAL 28 3.883 -7.219 0.991 233 HG11 VAL 28 1HG1 VAL 28 3.690 -4.786 0.589 234 HG12 VAL 28 2HG1 VAL 28 5.191 -4.518 1.478 235 HG13 VAL 28 3HG1 VAL 28 3.772 -5.150 2.315 236 HG21 VAL 28 1HG2 VAL 28 5.776 -7.692 -0.523 237 HG22 VAL 28 2HG2 VAL 28 6.396 -6.057 -0.275 238 HG23 VAL 28 3HG2 VAL 28 4.848 -6.300 -1.090 239 H GLN 29 H GLN 29 6.207 -6.056 4.398 240 HA GLN 29 HA GLN 29 4.098 -7.249 6.046 241 HB2 GLN 29 2HB GLN 29 6.373 -7.159 6.965 242 HB3 GLN 29 3HB GLN 29 6.490 -5.433 6.635 243 HG2 GLN 29 2HG GLN 29 6.166 -5.850 9.026 244 HG3 GLN 29 3HG GLN 29 4.793 -4.972 8.351 245 HE21 GLN 29 1HE2 GLN 29 3.361 -5.618 9.969 246 HE22 GLN 29 2HE2 GLN 29 2.795 -7.245 10.125 247 H VAL 30 H VAL 30 2.405 -5.971 6.963 248 HA VAL 30 HA VAL 30 1.953 -3.281 5.885 249 HB VAL 30 HB VAL 30 0.261 -4.901 7.851 250 HG11 VAL 30 1HG1 VAL 30 -0.443 -2.348 6.349 251 HG12 VAL 30 2HG1 VAL 30 -0.130 -2.477 8.082 252 HG13 VAL 30 3HG1 VAL 30 -1.539 -3.275 7.380 253 HG21 VAL 30 1HG2 VAL 30 -0.135 -4.513 4.859 254 HG22 VAL 30 2HG2 VAL 30 -1.240 -5.358 5.946 255 HG23 VAL 30 3HG2 VAL 30 0.374 -6.007 5.653 256 H ARG 31 H ARG 31 2.699 -1.516 6.925 257 HA ARG 31 HA ARG 31 3.790 -1.777 9.644 258 HB2 ARG 31 2HB ARG 31 5.245 -0.846 7.813 259 HB3 ARG 31 3HB ARG 31 4.144 0.521 7.669 260 HG2 ARG 31 2HG ARG 31 6.080 1.172 8.994 261 HG3 ARG 31 3HG ARG 31 4.649 1.152 10.030 262 HD2 ARG 31 2HD ARG 31 5.353 -1.169 10.788 263 HD3 ARG 31 3HD ARG 31 6.858 -0.935 9.892 264 HE ARG 31 HE ARG 31 6.169 1.092 11.867 265 HH11 ARG 31 1HH1 ARG 31 8.058 -1.816 11.198 266 HH12 ARG 31 2HH1 ARG 31 9.138 -1.550 12.531 267 HH21 ARG 31 1HH2 ARG 31 7.579 1.419 13.574 268 HH22 ARG 31 2HH2 ARG 31 8.864 0.291 13.882 269 H ARG 32 H ARG 32 1.880 0.660 7.810 270 HA ARG 32 HA ARG 32 0.025 1.070 10.032 271 HB2 ARG 32 2HB ARG 32 1.831 3.277 8.945 272 HB3 ARG 32 3HB ARG 32 0.320 3.634 9.777 273 HG2 ARG 32 2HG ARG 32 1.156 2.569 11.817 274 HG3 ARG 32 3HG ARG 32 2.646 2.114 10.991 275 HD2 ARG 32 2HD ARG 32 3.249 4.470 10.728 276 HD3 ARG 32 3HD ARG 32 1.725 4.970 11.466 277 HE ARG 32 HE ARG 32 3.747 3.376 12.934 278 HH11 ARG 32 1HH1 ARG 32 1.638 6.185 12.762 279 HH12 ARG 32 2HH1 ARG 32 1.976 6.685 14.389 280 HH21 ARG 32 1HH2 ARG 32 4.161 4.031 15.073 281 HH22 ARG 32 2HH2 ARG 32 3.406 5.462 15.698 282 H VAL 33 H VAL 33 -1.769 2.540 9.385 283 HA VAL 33 HA VAL 33 -2.309 2.714 6.487 284 HB VAL 33 HB VAL 33 -4.292 1.581 8.537 285 HG11 VAL 33 1HG1 VAL 33 -4.646 2.006 5.550 286 HG12 VAL 33 2HG1 VAL 33 -5.436 2.925 6.833 287 HG13 VAL 33 3HG1 VAL 33 -5.807 1.214 6.621 288 HG21 VAL 33 1HG2 VAL 33 -2.919 0.146 6.234 289 HG22 VAL 33 2HG2 VAL 33 -4.158 -0.544 7.286 290 HG23 VAL 33 3HG2 VAL 33 -2.586 -0.096 7.950 291 H GLN 34 H GLN 34 -3.297 4.644 5.949 292 HA GLN 34 HA GLN 34 -4.258 6.471 8.081 293 HB2 GLN 34 2HB GLN 34 -2.714 7.354 5.587 294 HB3 GLN 34 3HB GLN 34 -3.194 8.358 6.952 295 HG2 GLN 34 2HG GLN 34 -1.111 6.165 6.954 296 HG3 GLN 34 3HG GLN 34 -0.812 7.898 7.039 297 HE21 GLN 34 1HE2 GLN 34 -0.142 5.615 8.860 298 HE22 GLN 34 2HE2 GLN 34 -0.722 6.101 10.415 299 H LYS 35 H LYS 35 -6.403 6.635 7.716 300 HA LYS 35 HA LYS 35 -7.520 6.336 5.013 301 HB2 LYS 35 2HB LYS 35 -8.328 5.052 7.115 302 HB3 LYS 35 3HB LYS 35 -9.028 6.565 7.664 303 HG2 LYS 35 2HG LYS 35 -9.785 5.210 5.053 304 HG3 LYS 35 3HG LYS 35 -10.624 4.931 6.577 305 HD2 LYS 35 2HD LYS 35 -11.155 7.390 6.660 306 HD3 LYS 35 3HD LYS 35 -10.440 7.559 5.054 307 HE2 LYS 35 2HE LYS 35 -12.127 6.050 4.125 308 HE3 LYS 35 3HE LYS 35 -12.814 5.786 5.731 309 HZ1 LYS 35 1HZ LYS 35 -12.705 8.397 4.320 310 HZ2 LYS 35 2HZ LYS 35 -13.397 8.123 5.834 311 HZ3 LYS 35 3HZ LYS 35 -14.068 7.416 4.454 312 H GLN 36 H GLN 36 -7.482 8.247 3.916 313 HA GLN 36 HA GLN 36 -8.420 10.737 5.242 314 HB2 GLN 36 2HB GLN 36 -6.342 10.456 3.020 315 HB3 GLN 36 3HB GLN 36 -6.948 11.989 3.639 316 HG2 GLN 36 2HG GLN 36 -5.397 9.932 5.243 317 HG3 GLN 36 3HG GLN 36 -4.729 11.419 4.569 318 HE21 GLN 36 1HE2 GLN 36 -4.971 10.465 7.381 319 HE22 GLN 36 2HE2 GLN 36 -5.785 11.733 8.223 320 H GLY 37 H GLY 37 -10.559 10.395 4.670 321 HA2 GLY 37 2HA GLY 37 -12.447 10.688 3.422 322 HA3 GLY 37 3HA GLY 37 -11.436 11.399 2.173 323 H ASN 38 H ASN 38 -10.918 10.204 0.399 324 HA ASN 38 HA ASN 38 -11.928 7.424 0.167 325 HB2 ASN 38 2HB ASN 38 -11.289 9.486 -1.996 326 HB3 ASN 38 3HB ASN 38 -11.764 7.818 -2.320 327 HD21 ASN 38 1HD2 ASN 38 -13.920 7.201 -1.977 328 HD22 ASN 38 2HD2 ASN 38 -15.184 8.349 -1.741 329 H THR 39 H THR 39 -9.063 9.401 0.130 330 HA THR 39 HA THR 39 -7.365 7.379 -1.118 331 HB THR 39 HB THR 39 -6.555 10.064 0.088 332 HG1 THR 39 HG1 THR 39 -7.792 9.434 -2.293 333 HG21 THR 39 1HG2 THR 39 -4.552 9.837 -1.354 334 HG22 THR 39 2HG2 THR 39 -5.105 8.246 -1.882 335 HG23 THR 39 3HG2 THR 39 -4.648 8.507 -0.195 336 H ILE 40 H ILE 40 -7.277 5.676 0.327 337 HA ILE 40 HA ILE 40 -6.254 6.089 3.030 338 HB ILE 40 HB ILE 40 -6.905 3.506 1.546 339 HG12 ILE 40 2HG1 ILE 40 -8.482 5.090 3.626 340 HG13 ILE 40 3HG1 ILE 40 -8.940 4.806 1.953 341 HG21 ILE 40 1HG2 ILE 40 -6.718 2.399 3.751 342 HG22 ILE 40 2HG2 ILE 40 -6.206 3.924 4.475 343 HG23 ILE 40 3HG2 ILE 40 -5.186 3.135 3.270 344 HD11 ILE 40 1HD1 ILE 40 -8.778 2.716 4.125 345 HD12 ILE 40 2HD1 ILE 40 -9.220 2.424 2.441 346 HD13 ILE 40 3HD1 ILE 40 -10.239 3.439 3.457 347 H ARG 41 H ARG 41 -4.168 6.619 3.098 348 HA ARG 41 HA ARG 41 -2.096 5.536 1.373 349 HB2 ARG 41 2HB ARG 41 -2.010 7.383 3.799 350 HB3 ARG 41 3HB ARG 41 -0.580 6.895 2.897 351 HG2 ARG 41 2HG ARG 41 -1.505 7.996 0.877 352 HG3 ARG 41 3HG ARG 41 -2.894 8.538 1.824 353 HD2 ARG 41 2HD ARG 41 -1.553 9.973 3.169 354 HD3 ARG 41 3HD ARG 41 -0.051 9.202 2.648 355 HE ARG 41 HE ARG 41 -1.085 10.223 0.345 356 HH11 ARG 41 1HH1 ARG 41 -0.323 11.684 3.464 357 HH12 ARG 41 2HH1 ARG 41 0.054 13.229 2.772 358 HH21 ARG 41 1HH2 ARG 41 -0.502 12.201 -0.545 359 HH22 ARG 41 2HH2 ARG 41 -0.047 13.525 0.489 360 H VAL 42 H VAL 42 -1.677 3.383 1.809 361 HA VAL 42 HA VAL 42 -1.357 2.494 4.601 362 HB VAL 42 HB VAL 42 -1.130 0.824 2.051 363 HG11 VAL 42 1HG1 VAL 42 -1.411 -1.125 3.533 364 HG12 VAL 42 2HG1 VAL 42 -1.473 -0.058 4.942 365 HG13 VAL 42 3HG1 VAL 42 0.013 -0.184 3.999 366 HG21 VAL 42 1HG2 VAL 42 -3.411 0.013 2.547 367 HG22 VAL 42 2HG2 VAL 42 -3.393 1.748 2.223 368 HG23 VAL 42 3HG2 VAL 42 -3.527 1.161 3.885 369 H GLU 43 H GLU 43 0.633 2.841 5.465 370 HA GLU 43 HA GLU 43 3.060 2.760 3.859 371 HB2 GLU 43 2HB GLU 43 2.719 2.897 6.890 372 HB3 GLU 43 3HB GLU 43 4.260 2.984 6.040 373 HG2 GLU 43 2HG GLU 43 3.754 5.216 6.547 374 HG3 GLU 43 3HG GLU 43 3.334 5.046 4.847 375 H LEU 44 H LEU 44 3.750 0.854 3.203 376 HA LEU 44 HA LEU 44 3.567 -1.506 4.964 377 HB2 LEU 44 2HB LEU 44 4.146 -1.550 1.985 378 HB3 LEU 44 3HB LEU 44 3.747 -2.902 3.029 379 HG LEU 44 HG LEU 44 1.462 -1.479 3.364 380 HD11 LEU 44 1HD1 LEU 44 2.316 -0.702 0.570 381 HD12 LEU 44 2HD1 LEU 44 2.170 0.384 1.954 382 HD13 LEU 44 3HD1 LEU 44 0.737 -0.408 1.307 383 HD21 LEU 44 1HD2 LEU 44 1.942 -3.271 0.972 384 HD22 LEU 44 2HD2 LEU 44 0.368 -2.861 1.668 385 HD23 LEU 44 3HD2 LEU 44 1.531 -3.801 2.604 386 H GLU 45 H GLU 45 5.524 -3.041 4.394 387 HA GLU 45 HA GLU 45 7.995 -1.488 4.706 388 HB2 GLU 45 2HB GLU 45 6.882 -1.782 6.921 389 HB3 GLU 45 3HB GLU 45 6.914 -3.528 6.709 390 HG2 GLU 45 2HG GLU 45 9.271 -3.623 6.936 391 HG3 GLU 45 3HG GLU 45 9.450 -1.888 6.676 392 H LEU 46 H LEU 46 9.284 -2.311 3.225 393 HA LEU 46 HA LEU 46 9.196 -5.173 2.456 394 HB2 LEU 46 2HB LEU 46 7.844 -3.752 0.937 395 HB3 LEU 46 3HB LEU 46 9.212 -2.702 0.666 396 HG LEU 46 HG LEU 46 9.358 -5.623 -0.161 397 HD11 LEU 46 1HD1 LEU 46 7.291 -4.759 -1.175 398 HD12 LEU 46 2HD1 LEU 46 8.531 -5.047 -2.393 399 HD13 LEU 46 3HD1 LEU 46 8.183 -3.398 -1.861 400 HD21 LEU 46 1HD2 LEU 46 10.922 -4.778 -1.859 401 HD22 LEU 46 2HD2 LEU 46 11.452 -4.340 -0.239 402 HD23 LEU 46 3HD2 LEU 46 10.690 -3.127 -1.272 403 H ARG 47 H ARG 47 11.225 -6.055 2.001 404 HA ARG 47 HA ARG 47 13.553 -4.393 2.772 405 HB2 ARG 47 2HB ARG 47 13.114 -7.411 2.828 406 HB3 ARG 47 3HB ARG 47 14.649 -6.630 3.227 407 HG2 ARG 47 2HG ARG 47 13.548 -5.451 5.109 408 HG3 ARG 47 3HG ARG 47 12.027 -6.257 4.720 409 HD2 ARG 47 2HD ARG 47 14.600 -7.637 5.589 410 HD3 ARG 47 3HD ARG 47 13.185 -7.353 6.603 411 HE ARG 47 HE ARG 47 11.935 -8.860 5.148 412 HH11 ARG 47 1HH1 ARG 47 15.444 -9.118 4.947 413 HH12 ARG 47 2HH1 ARG 47 15.405 -10.742 4.339 414 HH21 ARG 47 1HH2 ARG 47 11.907 -10.976 4.360 415 HH22 ARG 47 2HH2 ARG 47 13.397 -11.794 4.009 416 H THR 48 H THR 48 14.307 -3.505 0.892 417 HA THR 48 HA THR 48 14.716 -5.147 -1.521 418 HB THR 48 HB THR 48 15.299 -2.161 -1.347 419 HG1 THR 48 HG1 THR 48 13.272 -1.726 -1.096 420 HG21 THR 48 1HG2 THR 48 14.292 -3.934 -3.606 421 HG22 THR 48 2HG2 THR 48 15.949 -3.350 -3.415 422 HG23 THR 48 3HG2 THR 48 14.638 -2.208 -3.726 423 H ASN 49 H ASN 49 16.681 -6.138 -1.665 424 HA ASN 49 HA ASN 49 18.915 -6.525 -1.785 425 HB2 ASN 49 2HB ASN 49 19.014 -3.480 -1.840 426 HB3 ASN 49 3HB ASN 49 20.446 -4.479 -2.063 427 HD21 ASN 49 1HD2 ASN 49 19.181 -2.598 -3.914 428 HD22 ASN 49 2HD2 ASN 49 18.837 -3.512 -5.342 429 H GLY 50 H GLY 50 17.670 -6.465 0.831 430 HA2 GLY 50 2HA GLY 50 18.471 -6.996 2.952 431 HA3 GLY 50 3HA GLY 50 20.065 -6.431 2.488 432 H LYS 51 H LYS 51 17.831 -4.082 1.672 433 HA LYS 51 HA LYS 51 18.162 -2.610 4.224 434 HB2 LYS 51 2HB LYS 51 17.709 -1.552 1.395 435 HB3 LYS 51 3HB LYS 51 17.765 -0.544 2.831 436 HG2 LYS 51 2HG LYS 51 20.124 -2.251 1.995 437 HG3 LYS 51 3HG LYS 51 19.849 -0.646 1.329 438 HD2 LYS 51 2HD LYS 51 21.407 -0.322 3.085 439 HD3 LYS 51 3HD LYS 51 19.866 0.223 3.741 440 HE2 LYS 51 2HE LYS 51 19.645 -1.874 4.996 441 HE3 LYS 51 3HE LYS 51 21.134 -2.485 4.274 442 HZ1 LYS 51 1HZ LYS 51 20.917 -0.123 6.067 443 HZ2 LYS 51 2HZ LYS 51 22.340 -0.688 5.350 444 HZ3 LYS 51 3HZ LYS 51 21.532 -1.639 6.486 445 H LYS 52 H LYS 52 16.379 -2.250 5.375 446 HA LYS 52 HA LYS 52 13.741 -2.953 4.434 447 HB2 LYS 52 2HB LYS 52 14.538 -3.438 6.761 448 HB3 LYS 52 3HB LYS 52 14.667 -1.718 7.079 449 HG2 LYS 52 2HG LYS 52 12.014 -2.955 6.301 450 HG3 LYS 52 3HG LYS 52 12.593 -3.040 7.962 451 HD2 LYS 52 2HD LYS 52 12.067 -0.479 6.394 452 HD3 LYS 52 3HD LYS 52 11.027 -1.165 7.641 453 HE2 LYS 52 2HE LYS 52 12.800 -0.840 9.319 454 HE3 LYS 52 3HE LYS 52 13.857 -0.163 8.073 455 HZ1 LYS 52 1HZ LYS 52 12.303 1.629 7.751 456 HZ2 LYS 52 2HZ LYS 52 12.728 1.550 9.385 457 HZ3 LYS 52 3HZ LYS 52 11.227 0.967 8.866 458 H GLU 53 H GLU 53 12.681 -1.575 3.188 459 HA GLU 53 HA GLU 53 12.777 1.354 3.620 460 HB2 GLU 53 2HB GLU 53 12.407 -0.152 0.984 461 HB3 GLU 53 3HB GLU 53 12.264 1.594 1.175 462 HG2 GLU 53 2HG GLU 53 14.657 1.632 1.962 463 HG3 GLU 53 3HG GLU 53 14.759 -0.085 1.571 464 H ASN 54 H ASN 54 10.851 2.211 4.169 465 HA ASN 54 HA ASN 54 8.379 0.651 4.025 466 HB2 ASN 54 2HB ASN 54 8.968 3.391 5.254 467 HB3 ASN 54 3HB ASN 54 7.395 2.594 5.322 468 HD21 ASN 54 1HD2 ASN 54 7.168 0.714 6.615 469 HD22 ASN 54 2HD2 ASN 54 8.301 0.334 7.865 470 H TYR 55 H TYR 55 6.864 0.965 2.475 471 HA TYR 55 HA TYR 55 7.101 3.299 0.648 472 HB2 TYR 55 2HB TYR 55 5.939 0.526 0.100 473 HB3 TYR 55 3HB TYR 55 5.960 1.859 -1.046 474 HD1 TYR 55 HD1 TYR 55 7.879 2.231 -2.445 475 HD2 TYR 55 HD2 TYR 55 8.188 -0.477 0.850 476 HE1 TYR 55 HE1 TYR 55 10.062 1.442 -3.276 477 HE2 TYR 55 HE2 TYR 55 10.342 -1.258 0.016 478 HH TYR 55 HH TYR 55 11.570 -1.365 -2.039 479 H THR 56 H THR 56 5.548 4.746 1.056 480 HA THR 56 HA THR 56 2.955 4.044 2.160 481 HB THR 56 HB THR 56 3.997 6.732 1.152 482 HG1 THR 56 HG1 THR 56 4.365 5.351 3.537 483 HG21 THR 56 1HG2 THR 56 1.535 6.664 1.278 484 HG22 THR 56 2HG2 THR 56 2.194 7.695 2.548 485 HG23 THR 56 3HG2 THR 56 1.629 6.074 2.947 486 H VAL 57 H VAL 57 1.822 2.927 0.671 487 HA VAL 57 HA VAL 57 1.634 3.813 -2.111 488 HB VAL 57 HB VAL 57 0.388 1.363 -0.769 489 HG11 VAL 57 1HG1 VAL 57 0.621 2.088 -3.716 490 HG12 VAL 57 2HG1 VAL 57 -0.864 2.069 -2.766 491 HG13 VAL 57 3HG1 VAL 57 -0.005 0.562 -3.086 492 HG21 VAL 57 1HG2 VAL 57 2.852 1.229 -0.762 493 HG22 VAL 57 2HG2 VAL 57 2.884 1.543 -2.499 494 HG23 VAL 57 3HG2 VAL 57 2.160 0.054 -1.885 495 H GLU 58 H GLU 58 0.325 5.467 -2.324 496 HA GLU 58 HA GLU 58 -2.027 5.995 -0.736 497 HB2 GLU 58 2HB GLU 58 -1.114 7.299 -3.346 498 HB3 GLU 58 3HB GLU 58 -2.273 7.964 -2.194 499 HG2 GLU 58 2HG GLU 58 -0.450 8.162 -0.511 500 HG3 GLU 58 3HG GLU 58 0.690 7.517 -1.689 501 H VAL 59 H VAL 59 -3.697 4.584 -1.062 502 HA VAL 59 HA VAL 59 -4.556 3.924 -3.828 503 HB VAL 59 HB VAL 59 -5.335 2.466 -1.261 504 HG11 VAL 59 1HG1 VAL 59 -5.712 1.678 -4.168 505 HG12 VAL 59 2HG1 VAL 59 -6.977 2.240 -3.075 506 HG13 VAL 59 3HG1 VAL 59 -6.170 0.700 -2.769 507 HG21 VAL 59 1HG2 VAL 59 -3.774 0.666 -1.908 508 HG22 VAL 59 2HG2 VAL 59 -2.914 2.186 -1.639 509 HG23 VAL 59 3HG2 VAL 59 -3.227 1.631 -3.285 510 H GLU 60 H GLU 60 -6.425 4.875 -4.487 511 HA GLU 60 HA GLU 60 -8.171 6.211 -2.506 512 HB2 GLU 60 2HB GLU 60 -6.902 7.717 -4.021 513 HB3 GLU 60 3HB GLU 60 -7.633 6.924 -5.413 514 HG2 GLU 60 2HG GLU 60 -9.870 7.713 -4.651 515 HG3 GLU 60 3HG GLU 60 -9.095 8.557 -3.306 516 H ARG 61 H ARG 61 -10.372 6.071 -2.787 517 HA ARG 61 HA ARG 61 -11.405 3.646 -3.912 518 HB2 ARG 61 2HB ARG 61 -12.217 4.678 -1.776 519 HB3 ARG 61 3HB ARG 61 -12.874 6.024 -2.702 520 HG2 ARG 61 2HG ARG 61 -14.693 4.578 -2.227 521 HG3 ARG 61 3HG ARG 61 -14.321 4.345 -3.933 522 HD2 ARG 61 2HD ARG 61 -13.179 2.255 -3.448 523 HD3 ARG 61 3HD ARG 61 -13.340 2.516 -1.713 524 HE ARG 61 HE ARG 61 -15.188 1.255 -3.373 525 HH11 ARG 61 1HH1 ARG 61 -15.247 3.612 -0.764 526 HH12 ARG 61 2HH1 ARG 61 -16.850 3.178 -0.284 527 HH21 ARG 61 1HH2 ARG 61 -17.254 0.722 -2.679 528 HH22 ARG 61 2HH2 ARG 61 -17.961 1.573 -1.348 529 H GLN 62 H GLN 62 -11.538 3.570 -6.082 530 HA GLN 62 HA GLN 62 -12.618 5.778 -7.683 531 HB2 GLN 62 2HB GLN 62 -10.604 4.379 -8.449 532 HB3 GLN 62 3HB GLN 62 -11.709 3.021 -8.641 533 HG2 GLN 62 2HG GLN 62 -11.321 4.078 -10.798 534 HG3 GLN 62 3HG GLN 62 -12.998 4.331 -10.316 535 HE21 GLN 62 1HE2 GLN 62 -13.673 6.464 -9.766 536 HE22 GLN 62 2HE2 GLN 62 -12.720 7.847 -10.159 537 H GLY 63 H GLY 63 -14.670 5.683 -6.605 538 HA2 GLY 63 2HA GLY 63 -16.925 5.300 -6.672 539 HA3 GLY 63 3HA GLY 63 -16.667 4.155 -7.979 540 H ASN 64 H ASN 64 -16.670 2.031 -7.544 541 HA ASN 64 HA ASN 64 -17.291 1.080 -4.829 542 HB2 ASN 64 2HB ASN 64 -17.514 -0.222 -7.584 543 HB3 ASN 64 3HB ASN 64 -17.795 -1.099 -6.084 544 HD21 ASN 64 1HD2 ASN 64 -18.942 1.613 -8.039 545 HD22 ASN 64 2HD2 ASN 64 -20.553 1.597 -7.422 546 H THR 65 H THR 65 -14.811 0.943 -7.298 547 HA THR 65 HA THR 65 -13.319 -1.212 -5.950 548 HB THR 65 HB THR 65 -11.889 -1.123 -8.042 549 HG1 THR 65 HG1 THR 65 -12.192 0.871 -8.893 550 HG21 THR 65 1HG2 THR 65 -14.861 -1.552 -8.525 551 HG22 THR 65 2HG2 THR 65 -13.749 -2.749 -7.858 552 HG23 THR 65 3HG2 THR 65 -13.547 -2.195 -9.520 553 H TRP 66 H TRP 66 -10.815 -0.837 -6.181 554 HA TRP 66 HA TRP 66 -10.056 1.828 -5.126 555 HB2 TRP 66 2HB TRP 66 -9.038 -0.955 -4.362 556 HB3 TRP 66 3HB TRP 66 -8.256 0.539 -3.856 557 HD1 TRP 66 HD1 TRP 66 -11.308 -1.640 -3.075 558 HE1 TRP 66 HE1 TRP 66 -12.457 -0.721 -0.959 559 HE3 TRP 66 HE3 TRP 66 -8.676 2.718 -2.530 560 HZ2 TRP 66 HZ2 TRP 66 -12.272 1.548 0.703 561 HZ3 TRP 66 HZ3 TRP 66 -9.234 4.212 -0.657 562 HH2 TRP 66 HH2 TRP 66 -11.000 3.633 0.928 563 H THR 67 H THR 67 -8.008 2.640 -5.793 564 HA THR 67 HA THR 67 -6.433 1.204 -7.790 565 HB THR 67 HB THR 67 -8.183 2.382 -9.128 566 HG1 THR 67 HG1 THR 67 -6.441 2.186 -10.334 567 HG21 THR 67 1HG2 THR 67 -8.180 4.846 -9.334 568 HG22 THR 67 2HG2 THR 67 -6.965 4.967 -8.060 569 HG23 THR 67 3HG2 THR 67 -8.578 4.361 -7.681 570 H VAL 68 H VAL 68 -4.287 1.846 -7.833 571 HA VAL 68 HA VAL 68 -3.363 3.356 -5.535 572 HB VAL 68 HB VAL 68 -1.816 1.884 -7.712 573 HG11 VAL 68 1HG1 VAL 68 0.190 2.129 -6.265 574 HG12 VAL 68 2HG1 VAL 68 -0.727 3.176 -5.180 575 HG13 VAL 68 3HG1 VAL 68 -0.401 3.693 -6.835 576 HG21 VAL 68 1HG2 VAL 68 -2.404 1.140 -4.824 577 HG22 VAL 68 2HG2 VAL 68 -1.399 0.208 -5.937 578 HG23 VAL 68 3HG2 VAL 68 -3.124 0.400 -6.257 579 H LYS 69 H LYS 69 -3.271 5.480 -5.621 580 HA LYS 69 HA LYS 69 -3.097 7.172 -7.873 581 HB2 LYS 69 2HB LYS 69 -2.405 7.765 -4.949 582 HB3 LYS 69 3HB LYS 69 -2.694 8.980 -6.192 583 HG2 LYS 69 2HG LYS 69 -4.734 6.985 -5.164 584 HG3 LYS 69 3HG LYS 69 -4.636 8.684 -4.702 585 HD2 LYS 69 2HD LYS 69 -5.147 7.690 -7.533 586 HD3 LYS 69 3HD LYS 69 -6.398 8.222 -6.411 587 HE2 LYS 69 2HE LYS 69 -5.404 10.471 -6.340 588 HE3 LYS 69 3HE LYS 69 -4.125 9.948 -7.441 589 HZ1 LYS 69 1HZ LYS 69 -7.024 10.080 -8.046 590 HZ2 LYS 69 2HZ LYS 69 -5.846 9.486 -9.097 591 HZ3 LYS 69 3HZ LYS 69 -5.818 11.107 -8.643 592 H ARG 70 H ARG 70 -0.673 6.348 -5.389 593 HA ARG 70 HA ARG 70 1.521 6.353 -7.251 594 HB2 ARG 70 2HB ARG 70 1.143 8.829 -6.832 595 HB3 ARG 70 3HB ARG 70 1.470 8.555 -5.129 596 HG2 ARG 70 2HG ARG 70 3.460 9.457 -6.046 597 HG3 ARG 70 3HG ARG 70 3.785 7.738 -5.816 598 HD2 ARG 70 2HD ARG 70 2.965 8.986 -8.466 599 HD3 ARG 70 3HD ARG 70 4.637 8.697 -7.989 600 HE ARG 70 HE ARG 70 3.979 6.274 -7.849 601 HH11 ARG 70 1HH1 ARG 70 2.354 8.440 -10.111 602 HH12 ARG 70 2HH1 ARG 70 1.935 7.158 -11.205 603 HH21 ARG 70 1HH2 ARG 70 3.385 4.611 -9.279 604 HH22 ARG 70 2HH2 ARG 70 2.517 4.999 -10.733 605 H ILE 71 H ILE 71 2.956 4.893 -6.497 606 HA ILE 71 HA ILE 71 3.055 4.202 -3.661 607 HB ILE 71 HB ILE 71 4.744 3.141 -5.976 608 HG12 ILE 71 2HG1 ILE 71 2.367 1.899 -4.513 609 HG13 ILE 71 3HG1 ILE 71 2.352 2.511 -6.162 610 HG21 ILE 71 1HG2 ILE 71 4.610 2.267 -3.065 611 HG22 ILE 71 2HG2 ILE 71 6.003 2.961 -3.898 612 HG23 ILE 71 3HG2 ILE 71 5.419 1.358 -4.337 613 HD11 ILE 71 1HD1 ILE 71 3.892 0.126 -5.152 614 HD12 ILE 71 2HD1 ILE 71 3.958 0.765 -6.798 615 HD13 ILE 71 3HD1 ILE 71 2.448 0.124 -6.161 616 H THR 72 H THR 72 4.039 5.625 -2.458 617 HA THR 72 HA THR 72 6.323 7.222 -3.385 618 HB THR 72 HB THR 72 4.665 7.496 -0.826 619 HG1 THR 72 HG1 THR 72 3.257 7.873 -2.502 620 HG21 THR 72 1HG2 THR 72 6.469 9.511 -2.231 621 HG22 THR 72 2HG2 THR 72 6.884 8.629 -0.752 622 HG23 THR 72 3HG2 THR 72 5.552 9.794 -0.761 623 H ARG 73 H ARG 73 8.276 6.257 -2.948 624 HA ARG 73 HA ARG 73 8.791 4.424 -0.808 625 HB2 ARG 73 2HB ARG 73 10.181 4.572 -2.898 626 HB3 ARG 73 3HB ARG 73 10.748 6.158 -2.388 627 HG2 ARG 73 2HG ARG 73 11.662 4.957 -0.284 628 HG3 ARG 73 3HG ARG 73 11.368 3.454 -1.163 629 HD2 ARG 73 2HD ARG 73 13.208 5.724 -1.973 630 HD3 ARG 73 3HD ARG 73 13.683 4.110 -1.444 631 HE ARG 73 HE ARG 73 12.215 4.627 -3.972 632 HH11 ARG 73 1HH1 ARG 73 14.816 2.970 -2.257 633 HH12 ARG 73 2HH1 ARG 73 15.309 2.073 -3.655 634 HH21 ARG 73 1HH2 ARG 73 12.866 3.422 -5.778 635 HH22 ARG 73 2HH2 ARG 73 14.206 2.330 -5.644 636 H THR 74 H THR 74 9.832 4.858 1.208 637 HA THR 74 HA THR 74 9.396 7.287 2.559 638 HB THR 74 HB THR 74 9.738 5.199 3.803 639 HG1 THR 74 HG1 THR 74 11.918 6.936 4.405 640 HG21 THR 74 1HG2 THR 74 11.394 4.079 2.369 641 HG22 THR 74 2HG2 THR 74 11.962 4.141 4.039 642 HG23 THR 74 3HG2 THR 74 12.622 5.257 2.840 643 H VAL 75 H VAL 75 10.880 8.917 3.232 644 HA VAL 75 HA VAL 75 12.698 9.866 1.307 645 HB VAL 75 HB VAL 75 11.599 11.408 2.841 646 HG11 VAL 75 1HG1 VAL 75 13.233 10.205 5.104 647 HG12 VAL 75 2HG1 VAL 75 11.493 10.031 4.871 648 HG13 VAL 75 3HG1 VAL 75 12.178 11.618 5.222 649 HG21 VAL 75 1HG2 VAL 75 14.616 11.502 3.229 650 HG22 VAL 75 2HG2 VAL 75 13.507 12.860 3.437 651 HG23 VAL 75 3HG2 VAL 75 13.728 12.139 1.843 652 H GLY 76 H GLY 76 14.719 9.339 0.920 653 HA2 GLY 76 2HA GLY 76 16.837 8.711 2.537 654 HA3 GLY 76 3HA GLY 76 16.011 7.170 2.300 655 H SER 77 H SER 77 16.000 6.198 0.266 656 HA SER 77 HA SER 77 18.068 7.028 -1.591 657 HB2 SER 77 2HB SER 77 17.770 4.621 -1.033 658 HB3 SER 77 3HB SER 77 16.139 4.657 -1.702 659 HG SER 77 HG SER 77 17.645 5.580 -3.608 660 H LEU 78 H LEU 78 17.125 9.058 -2.172 661 HA LEU 78 HA LEU 78 14.632 9.092 -3.716 662 HB2 LEU 78 2HB LEU 78 15.001 10.912 -2.099 663 HB3 LEU 78 3HB LEU 78 16.520 11.329 -2.872 664 HG LEU 78 HG LEU 78 15.253 11.989 -4.941 665 HD11 LEU 78 1HD1 LEU 78 12.772 11.528 -3.274 666 HD12 LEU 78 2HD1 LEU 78 13.273 10.614 -4.699 667 HD13 LEU 78 3HD1 LEU 78 12.824 12.310 -4.856 668 HD21 LEU 78 1HD2 LEU 78 14.434 13.473 -2.427 669 HD22 LEU 78 2HD2 LEU 78 14.373 14.112 -4.073 670 HD23 LEU 78 3HD2 LEU 78 15.925 13.703 -3.346 671 H GLU 79 H GLU 79 14.563 9.232 -5.886 672 HA GLU 79 HA GLU 79 16.803 8.814 -7.576 673 HB2 GLU 79 2HB GLU 79 14.501 8.128 -8.192 674 HB3 GLU 79 3HB GLU 79 13.988 9.814 -8.221 675 HG2 GLU 79 2HG GLU 79 15.446 10.266 -10.136 676 HG3 GLU 79 3HG GLU 79 16.076 8.623 -10.082 677 H HIS 80 H HIS 80 18.189 10.266 -8.467 678 HA HIS 80 HA HIS 80 17.955 13.100 -7.841 679 HB2 HIS 80 2HB HIS 80 20.250 13.315 -8.665 680 HB3 HIS 80 3HB HIS 80 20.143 11.930 -7.597 681 HD1 HIS 80 HD1 HIS 80 21.253 12.931 -10.932 682 HD2 HIS 80 HD2 HIS 80 20.260 9.370 -9.036 683 HE1 HIS 80 HE1 HIS 80 22.179 11.105 -12.383 684 HE2 HIS 80 HE2 HIS 80 21.640 8.973 -11.171 685 H HIS 81 H HIS 81 15.921 13.047 -9.150 686 HA HIS 81 HA HIS 81 15.924 12.751 -11.986 687 HB2 HIS 81 2HB HIS 81 13.585 13.691 -11.846 688 HB3 HIS 81 3HB HIS 81 13.871 12.327 -10.772 689 HD1 HIS 81 HD1 HIS 81 13.260 16.049 -10.718 690 HD2 HIS 81 HD2 HIS 81 13.578 12.882 -8.047 691 HE1 HIS 81 HE1 HIS 81 12.532 16.959 -8.499 692 HE2 HIS 81 HE2 HIS 81 12.954 15.090 -6.881 693 H HIS 82 H HIS 82 16.225 14.212 -13.588 694 HA HIS 82 HA HIS 82 16.436 17.102 -12.970 695 HB2 HIS 82 2HB HIS 82 18.712 16.112 -13.267 696 HB3 HIS 82 3HB HIS 82 18.244 15.514 -14.857 697 HD1 HIS 82 HD1 HIS 82 19.452 18.548 -13.094 698 HD2 HIS 82 HD2 HIS 82 17.944 17.603 -16.843 699 HE1 HIS 82 HE1 HIS 82 19.963 20.519 -14.555 700 HE2 HIS 82 HE2 HIS 82 19.170 19.859 -16.842 701 H HIS 83 H HIS 83 14.894 18.131 -14.048 702 HA HIS 83 HA HIS 83 14.162 17.337 -16.813 703 HB2 HIS 83 2HB HIS 83 12.199 18.197 -14.620 704 HB3 HIS 83 3HB HIS 83 11.780 17.909 -16.306 705 HD1 HIS 83 HD1 HIS 83 11.092 15.567 -16.903 706 HD2 HIS 83 HD2 HIS 83 13.065 15.733 -13.245 707 HE1 HIS 83 HE1 HIS 83 10.922 13.264 -15.922 708 HE2 HIS 83 HE2 HIS 83 12.048 13.415 -13.685 709 H HIS 84 H HIS 84 13.983 19.046 -18.201 710 HA HIS 84 HA HIS 84 15.415 21.386 -17.594 711 HB2 HIS 84 2HB HIS 84 15.011 22.080 -19.873 712 HB3 HIS 84 3HB HIS 84 15.189 20.333 -19.902 713 HD1 HIS 84 HD1 HIS 84 12.956 23.028 -20.934 714 HD2 HIS 84 HD2 HIS 84 12.582 18.958 -20.177 715 HE1 HIS 84 HE1 HIS 84 10.797 22.327 -22.010 716 HE2 HIS 84 HE2 HIS 84 10.701 19.838 -21.694 717 H HIS 85 H HIS 85 14.825 23.462 -17.126 718 HA HIS 85 HA HIS 85 12.097 24.024 -16.297 719 HB2 HIS 85 2HB HIS 85 13.089 26.352 -15.736 720 HB3 HIS 85 3HB HIS 85 13.671 24.979 -14.811 721 HD1 HIS 85 HD1 HIS 85 16.132 24.400 -14.957 722 HD2 HIS 85 HD2 HIS 85 15.042 27.488 -17.507 723 HE1 HIS 85 HE1 HIS 85 18.282 25.403 -15.761 724 HE2 HIS 85 HE2 HIS 85 17.588 27.114 -17.455 Start of MODEL 13 1 H1 MET 1 1H MET 1 -19.598 -9.351 9.188 2 H2 MET 1 2H MET 1 -19.405 -10.485 7.955 3 H3 MET 1 3H MET 1 -20.111 -8.989 7.619 4 HA MET 1 HA MET 1 -17.325 -9.412 8.507 5 HB2 MET 1 2HB MET 1 -18.505 -8.848 5.749 6 HB3 MET 1 3HB MET 1 -16.808 -8.550 6.113 7 HG2 MET 1 2HG MET 1 -18.182 -11.245 6.311 8 HG3 MET 1 3HG MET 1 -17.137 -10.708 4.988 9 HE1 MET 1 1HE MET 1 -14.796 -13.280 6.811 10 HE2 MET 1 2HE MET 1 -15.425 -12.759 5.249 11 HE3 MET 1 3HE MET 1 -16.521 -13.419 6.467 12 HA PRO 2 HA PRO 2 -17.606 -4.997 9.446 13 HB2 PRO 2 2HB PRO 2 -14.978 -4.388 9.777 14 HB3 PRO 2 3HB PRO 2 -15.812 -5.466 10.918 15 HG2 PRO 2 2HG PRO 2 -14.024 -6.197 8.610 16 HG3 PRO 2 3HG PRO 2 -14.014 -6.830 10.272 17 HD2 PRO 2 2HD PRO 2 -15.232 -8.135 8.197 18 HD3 PRO 2 3HD PRO 2 -15.793 -8.271 9.879 19 H SER 3 H SER 3 -18.465 -4.805 7.170 20 HA SER 3 HA SER 3 -16.828 -4.726 4.888 21 HB2 SER 3 2HB SER 3 -19.243 -5.278 4.862 22 HB3 SER 3 3HB SER 3 -19.635 -3.594 5.219 23 HG SER 3 HG SER 3 -18.306 -4.604 2.917 24 H GLU 4 H GLU 4 -17.834 -2.114 7.044 25 HA GLU 4 HA GLU 4 -16.954 0.089 5.483 26 HB2 GLU 4 2HB GLU 4 -18.401 0.439 7.437 27 HB3 GLU 4 3HB GLU 4 -17.167 -0.204 8.512 28 HG2 GLU 4 2HG GLU 4 -15.701 1.709 8.009 29 HG3 GLU 4 3HG GLU 4 -16.890 2.342 6.875 30 H GLU 5 H GLU 5 -15.355 -1.839 7.996 31 HA GLU 5 HA GLU 5 -12.784 -0.556 7.819 32 HB2 GLU 5 2HB GLU 5 -13.693 -1.547 9.919 33 HB3 GLU 5 3HB GLU 5 -13.618 -3.150 9.196 34 HG2 GLU 5 2HG GLU 5 -11.178 -3.013 9.073 35 HG3 GLU 5 3HG GLU 5 -11.209 -1.365 9.700 36 H GLU 6 H GLU 6 -14.363 -3.013 6.031 37 HA GLU 6 HA GLU 6 -12.264 -4.823 5.463 38 HB2 GLU 6 2HB GLU 6 -14.766 -5.229 5.210 39 HB3 GLU 6 3HB GLU 6 -14.695 -4.301 3.716 40 HG2 GLU 6 2HG GLU 6 -13.059 -5.946 2.803 41 HG3 GLU 6 3HG GLU 6 -13.200 -6.884 4.290 42 H GLU 7 H GLU 7 -12.957 -1.683 4.229 43 HA GLU 7 HA GLU 7 -11.602 -1.414 1.874 44 HB2 GLU 7 2HB GLU 7 -11.244 0.370 4.329 45 HB3 GLU 7 3HB GLU 7 -10.828 0.806 2.677 46 HG2 GLU 7 2HG GLU 7 -13.218 0.611 2.054 47 HG3 GLU 7 3HG GLU 7 -13.611 0.305 3.748 48 H LYS 8 H LYS 8 -10.157 -1.483 5.130 49 HA LYS 8 HA LYS 8 -7.444 -1.375 4.439 50 HB2 LYS 8 2HB LYS 8 -8.854 -2.506 6.897 51 HB3 LYS 8 3HB LYS 8 -7.103 -2.512 6.748 52 HG2 LYS 8 2HG LYS 8 -7.717 -0.643 8.105 53 HG3 LYS 8 3HG LYS 8 -7.137 -0.028 6.558 54 HD2 LYS 8 2HD LYS 8 -9.473 0.390 5.846 55 HD3 LYS 8 3HD LYS 8 -10.061 -0.272 7.375 56 HE2 LYS 8 2HE LYS 8 -8.362 2.227 7.039 57 HE3 LYS 8 3HE LYS 8 -10.072 2.174 7.463 58 HZ1 LYS 8 1HZ LYS 8 -7.825 1.137 9.107 59 HZ2 LYS 8 2HZ LYS 8 -9.457 0.980 9.504 60 HZ3 LYS 8 3HZ LYS 8 -8.749 2.512 9.424 61 H ARG 9 H ARG 9 -9.575 -4.178 4.960 62 HA ARG 9 HA ARG 9 -7.720 -6.276 4.887 63 HB2 ARG 9 2HB ARG 9 -10.601 -6.354 3.854 64 HB3 ARG 9 3HB ARG 9 -9.634 -7.752 4.311 65 HG2 ARG 9 2HG ARG 9 -10.591 -5.566 6.185 66 HG3 ARG 9 3HG ARG 9 -11.281 -7.184 6.038 67 HD2 ARG 9 2HD ARG 9 -8.465 -6.532 6.974 68 HD3 ARG 9 3HD ARG 9 -9.819 -7.012 8.002 69 HE ARG 9 HE ARG 9 -9.520 -8.990 6.080 70 HH11 ARG 9 1HH1 ARG 9 -7.686 -7.755 8.825 71 HH12 ARG 9 2HH1 ARG 9 -6.897 -9.270 9.116 72 HH21 ARG 9 1HH2 ARG 9 -8.428 -10.933 6.432 73 HH22 ARG 9 2HH2 ARG 9 -7.317 -11.071 7.757 74 H GLN 10 H GLN 10 -9.439 -4.657 2.278 75 HA GLN 10 HA GLN 10 -8.472 -6.318 0.132 76 HB2 GLN 10 2HB GLN 10 -9.953 -3.649 0.130 77 HB3 GLN 10 3HB GLN 10 -9.658 -4.632 -1.301 78 HG2 GLN 10 2HG GLN 10 -11.048 -6.426 -0.412 79 HG3 GLN 10 3HG GLN 10 -11.272 -5.544 1.098 80 HE21 GLN 10 1HE2 GLN 10 -13.539 -5.544 0.843 81 HE22 GLN 10 2HE2 GLN 10 -14.330 -4.547 -0.323 82 H VAL 11 H VAL 11 -7.874 -2.967 1.189 83 HA VAL 11 HA VAL 11 -6.386 -2.194 -1.077 84 HB VAL 11 HB VAL 11 -6.809 -0.833 1.618 85 HG11 VAL 11 1HG1 VAL 11 -5.961 1.262 0.624 86 HG12 VAL 11 2HG1 VAL 11 -5.509 0.382 -0.838 87 HG13 VAL 11 3HG1 VAL 11 -4.698 0.026 0.683 88 HG21 VAL 11 1HG2 VAL 11 -7.983 -0.262 -1.124 89 HG22 VAL 11 2HG2 VAL 11 -8.352 0.621 0.362 90 HG23 VAL 11 3HG2 VAL 11 -8.815 -1.075 0.200 91 H LYS 12 H LYS 12 -5.310 -3.274 2.173 92 HA LYS 12 HA LYS 12 -2.560 -2.592 1.874 93 HB2 LYS 12 2HB LYS 12 -3.640 -4.947 3.473 94 HB3 LYS 12 3HB LYS 12 -2.075 -4.170 3.681 95 HG2 LYS 12 2HG LYS 12 -3.213 -2.116 4.466 96 HG3 LYS 12 3HG LYS 12 -4.772 -2.915 4.275 97 HD2 LYS 12 2HD LYS 12 -2.592 -3.468 6.297 98 HD3 LYS 12 3HD LYS 12 -4.292 -3.119 6.584 99 HE2 LYS 12 2HE LYS 12 -3.126 -5.710 5.503 100 HE3 LYS 12 3HE LYS 12 -3.834 -5.453 7.092 101 HZ1 LYS 12 1HZ LYS 12 -5.278 -5.378 4.494 102 HZ2 LYS 12 2HZ LYS 12 -5.970 -5.012 5.987 103 HZ3 LYS 12 3HZ LYS 12 -5.392 -6.569 5.692 104 H GLN 13 H GLN 13 -4.464 -5.437 1.003 105 HA GLN 13 HA GLN 13 -2.317 -7.087 0.129 106 HB2 GLN 13 2HB GLN 13 -4.536 -8.011 0.774 107 HB3 GLN 13 3HB GLN 13 -5.278 -7.221 -0.612 108 HG2 GLN 13 2HG GLN 13 -3.887 -8.611 -2.126 109 HG3 GLN 13 3HG GLN 13 -3.170 -9.401 -0.726 110 HE21 GLN 13 1HE2 GLN 13 -6.607 -8.573 -1.073 111 HE22 GLN 13 2HE2 GLN 13 -7.163 -10.207 -1.126 112 H VAL 14 H VAL 14 -4.601 -4.950 -1.602 113 HA VAL 14 HA VAL 14 -3.675 -5.349 -4.234 114 HB VAL 14 HB VAL 14 -4.952 -2.846 -3.006 115 HG11 VAL 14 1HG1 VAL 14 -5.606 -2.215 -5.315 116 HG12 VAL 14 2HG1 VAL 14 -4.681 -3.574 -5.952 117 HG13 VAL 14 3HG1 VAL 14 -3.849 -2.256 -5.126 118 HG21 VAL 14 1HG2 VAL 14 -7.083 -3.705 -3.949 119 HG22 VAL 14 2HG2 VAL 14 -6.387 -4.834 -2.786 120 HG23 VAL 14 3HG2 VAL 14 -6.246 -5.157 -4.512 121 H ALA 15 H ALA 15 -2.637 -3.158 -1.670 122 HA ALA 15 HA ALA 15 -0.844 -1.544 -3.184 123 HB1 ALA 15 1HB ALA 15 -0.164 -0.655 -0.988 124 HB2 ALA 15 2HB ALA 15 -1.030 -1.964 -0.176 125 HB3 ALA 15 3HB ALA 15 -1.919 -0.760 -1.113 126 H LYS 16 H LYS 16 -0.414 -4.443 -1.143 127 HA LYS 16 HA LYS 16 2.450 -4.367 -1.225 128 HB2 LYS 16 2HB LYS 16 2.464 -6.480 -0.101 129 HB3 LYS 16 3HB LYS 16 1.176 -5.519 0.601 130 HG2 LYS 16 2HG LYS 16 -0.488 -6.813 -0.658 131 HG3 LYS 16 3HG LYS 16 0.794 -7.767 -1.400 132 HD2 LYS 16 2HD LYS 16 0.186 -7.662 1.588 133 HD3 LYS 16 3HD LYS 16 -0.311 -8.950 0.490 134 HE2 LYS 16 2HE LYS 16 2.066 -9.469 0.030 135 HE3 LYS 16 3HE LYS 16 2.557 -8.194 1.148 136 HZ1 LYS 16 1HZ LYS 16 1.390 -9.400 2.924 137 HZ2 LYS 16 2HZ LYS 16 2.633 -10.318 2.245 138 HZ3 LYS 16 3HZ LYS 16 1.023 -10.647 1.849 139 H GLU 17 H GLU 17 -0.042 -5.856 -3.244 140 HA GLU 17 HA GLU 17 1.605 -7.496 -4.843 141 HB2 GLU 17 2HB GLU 17 -0.930 -5.988 -5.636 142 HB3 GLU 17 3HB GLU 17 -0.164 -7.236 -6.615 143 HG2 GLU 17 2HG GLU 17 -1.427 -7.608 -3.895 144 HG3 GLU 17 3HG GLU 17 -2.083 -8.133 -5.437 145 H LYS 18 H LYS 18 0.741 -4.060 -5.078 146 HA LYS 18 HA LYS 18 2.008 -3.426 -7.513 147 HB2 LYS 18 2HB LYS 18 1.633 -1.564 -5.127 148 HB3 LYS 18 3HB LYS 18 1.868 -1.080 -6.802 149 HG2 LYS 18 2HG LYS 18 -0.544 -2.466 -5.630 150 HG3 LYS 18 3HG LYS 18 -0.451 -0.792 -6.146 151 HD2 LYS 18 2HD LYS 18 -0.149 -3.152 -8.051 152 HD3 LYS 18 3HD LYS 18 -1.689 -2.375 -7.698 153 HE2 LYS 18 2HE LYS 18 -0.887 -1.459 -9.765 154 HE3 LYS 18 3HE LYS 18 -0.707 -0.206 -8.541 155 HZ1 LYS 18 1HZ LYS 18 1.491 -1.979 -9.460 156 HZ2 LYS 18 2HZ LYS 18 1.632 -0.650 -8.427 157 HZ3 LYS 18 3HZ LYS 18 1.209 -0.430 -10.053 158 H LEU 19 H LEU 19 3.203 -3.563 -4.191 159 HA LEU 19 HA LEU 19 5.858 -2.603 -4.738 160 HB2 LEU 19 2HB LEU 19 4.688 -4.072 -2.343 161 HB3 LEU 19 3HB LEU 19 6.334 -3.450 -2.395 162 HG LEU 19 HG LEU 19 3.764 -1.826 -2.439 163 HD11 LEU 19 1HD1 LEU 19 6.037 -1.920 -0.437 164 HD12 LEU 19 2HD1 LEU 19 4.418 -2.594 -0.223 165 HD13 LEU 19 3HD1 LEU 19 4.633 -0.852 -0.362 166 HD21 LEU 19 1HD2 LEU 19 5.183 0.178 -2.545 167 HD22 LEU 19 2HD2 LEU 19 5.319 -0.802 -4.001 168 HD23 LEU 19 3HD2 LEU 19 6.607 -0.834 -2.790 169 H LEU 20 H LEU 20 4.354 -5.786 -4.648 170 HA LEU 20 HA LEU 20 6.794 -7.298 -4.692 171 HB2 LEU 20 2HB LEU 20 3.922 -8.088 -5.326 172 HB3 LEU 20 3HB LEU 20 5.257 -9.230 -5.342 173 HG LEU 20 HG LEU 20 4.296 -7.685 -2.898 174 HD11 LEU 20 1HD1 LEU 20 3.953 -10.623 -3.558 175 HD12 LEU 20 2HD1 LEU 20 2.686 -9.391 -3.560 176 HD13 LEU 20 3HD1 LEU 20 3.481 -9.830 -2.050 177 HD21 LEU 20 1HD2 LEU 20 5.830 -9.108 -1.602 178 HD22 LEU 20 2HD2 LEU 20 6.687 -8.077 -2.741 179 HD23 LEU 20 3HD2 LEU 20 6.468 -9.792 -3.098 180 H GLU 21 H GLU 21 4.772 -5.817 -7.156 181 HA GLU 21 HA GLU 21 5.906 -7.035 -9.463 182 HB2 GLU 21 2HB GLU 21 4.801 -4.207 -9.144 183 HB3 GLU 21 3HB GLU 21 5.134 -5.000 -10.683 184 HG2 GLU 21 2HG GLU 21 3.432 -6.721 -10.149 185 HG3 GLU 21 3HG GLU 21 3.076 -5.881 -8.644 186 H GLN 22 H GLN 22 6.793 -4.199 -7.553 187 HA GLN 22 HA GLN 22 9.059 -3.387 -9.100 188 HB2 GLN 22 2HB GLN 22 8.301 -2.742 -6.213 189 HB3 GLN 22 3HB GLN 22 9.561 -1.922 -7.133 190 HG2 GLN 22 2HG GLN 22 7.855 -1.119 -8.737 191 HG3 GLN 22 3HG GLN 22 6.601 -1.919 -7.792 192 HE21 GLN 22 1HE2 GLN 22 7.691 -1.212 -5.188 193 HE22 GLN 22 2HE2 GLN 22 7.421 0.479 -4.987 194 H SER 23 H SER 23 8.584 -5.529 -6.349 195 HA SER 23 HA SER 23 11.309 -6.518 -6.521 196 HB2 SER 23 2HB SER 23 11.451 -4.565 -4.941 197 HB3 SER 23 3HB SER 23 10.284 -5.361 -3.887 198 HG SER 23 HG SER 23 11.872 -6.482 -3.106 199 HA PRO 24 HA PRO 24 8.396 -10.012 -5.611 200 HB2 PRO 24 2HB PRO 24 10.233 -11.511 -7.410 201 HB3 PRO 24 3HB PRO 24 8.480 -11.275 -7.547 202 HG2 PRO 24 2HG PRO 24 10.211 -10.095 -9.259 203 HG3 PRO 24 3HG PRO 24 8.680 -9.330 -8.777 204 HD2 PRO 24 2HD PRO 24 11.465 -8.777 -7.760 205 HD3 PRO 24 3HD PRO 24 10.167 -7.634 -8.188 206 H ASN 25 H ASN 25 11.748 -9.357 -5.340 207 HA ASN 25 HA ASN 25 12.603 -11.792 -4.046 208 HB2 ASN 25 2HB ASN 25 14.022 -9.107 -4.329 209 HB3 ASN 25 3HB ASN 25 14.773 -10.632 -3.860 210 HD21 ASN 25 1HD2 ASN 25 15.024 -12.282 -5.449 211 HD22 ASN 25 2HD2 ASN 25 14.946 -11.925 -7.139 212 H SER 26 H SER 26 10.930 -9.074 -2.974 213 HA SER 26 HA SER 26 11.955 -9.215 -0.202 214 HB2 SER 26 2HB SER 26 10.760 -7.042 0.110 215 HB3 SER 26 3HB SER 26 11.972 -6.966 -1.164 216 HG SER 26 HG SER 26 9.460 -7.666 -2.057 217 H LYS 27 H LYS 27 10.523 -9.395 1.547 218 HA LYS 27 HA LYS 27 7.733 -10.178 0.983 219 HB2 LYS 27 2HB LYS 27 9.370 -10.414 3.533 220 HB3 LYS 27 3HB LYS 27 7.665 -10.822 3.421 221 HG2 LYS 27 2HG LYS 27 9.799 -12.206 1.767 222 HG3 LYS 27 3HG LYS 27 9.318 -12.742 3.369 223 HD2 LYS 27 2HD LYS 27 8.100 -14.130 1.912 224 HD3 LYS 27 3HD LYS 27 6.925 -12.930 2.439 225 HE2 LYS 27 2HE LYS 27 6.774 -13.476 0.012 226 HE3 LYS 27 3HE LYS 27 7.109 -11.768 0.302 227 HZ1 LYS 27 1HZ LYS 27 9.142 -13.815 -0.411 228 HZ2 LYS 27 2HZ LYS 27 9.429 -12.167 -0.193 229 HZ3 LYS 27 3HZ LYS 27 8.473 -12.696 -1.477 230 H VAL 28 H VAL 28 6.212 -8.736 1.241 231 HA VAL 28 HA VAL 28 6.804 -6.129 2.478 232 HB VAL 28 HB VAL 28 4.525 -6.869 0.574 233 HG11 VAL 28 1HG1 VAL 28 5.462 -4.149 1.558 234 HG12 VAL 28 2HG1 VAL 28 3.983 -4.973 2.058 235 HG13 VAL 28 3HG1 VAL 28 4.173 -4.433 0.387 236 HG21 VAL 28 1HG2 VAL 28 7.111 -5.378 -0.048 237 HG22 VAL 28 2HG2 VAL 28 5.781 -5.655 -1.177 238 HG23 VAL 28 3HG2 VAL 28 6.720 -7.020 -0.569 239 H GLN 29 H GLN 29 6.177 -6.028 4.531 240 HA GLN 29 HA GLN 29 3.706 -7.255 5.543 241 HB2 GLN 29 2HB GLN 29 5.837 -7.394 6.848 242 HB3 GLN 29 3HB GLN 29 5.938 -5.641 6.889 243 HG2 GLN 29 2HG GLN 29 5.186 -6.534 9.037 244 HG3 GLN 29 3HG GLN 29 3.933 -5.542 8.295 245 HE21 GLN 29 1HE2 GLN 29 4.871 -8.803 9.132 246 HE22 GLN 29 2HE2 GLN 29 3.306 -9.511 8.944 247 H VAL 30 H VAL 30 2.110 -5.779 6.685 248 HA VAL 30 HA VAL 30 1.895 -3.075 5.611 249 HB VAL 30 HB VAL 30 -0.210 -4.231 6.008 250 HG11 VAL 30 1HG1 VAL 30 0.443 -5.790 7.779 251 HG12 VAL 30 2HG1 VAL 30 -1.015 -4.907 8.240 252 HG13 VAL 30 3HG1 VAL 30 0.545 -4.462 8.937 253 HG21 VAL 30 1HG2 VAL 30 -0.245 -1.798 6.315 254 HG22 VAL 30 2HG2 VAL 30 0.154 -1.979 8.024 255 HG23 VAL 30 3HG2 VAL 30 -1.399 -2.557 7.416 256 H ARG 31 H ARG 31 2.583 -1.256 6.589 257 HA ARG 31 HA ARG 31 4.097 -1.447 9.124 258 HB2 ARG 31 2HB ARG 31 5.348 -0.635 7.160 259 HB3 ARG 31 3HB ARG 31 4.145 0.615 6.878 260 HG2 ARG 31 2HG ARG 31 6.028 1.678 7.863 261 HG3 ARG 31 3HG ARG 31 4.779 1.621 9.104 262 HD2 ARG 31 2HD ARG 31 5.923 -0.294 10.172 263 HD3 ARG 31 3HD ARG 31 7.153 -0.276 8.897 264 HE ARG 31 HE ARG 31 6.869 2.246 10.247 265 HH11 ARG 31 1HH1 ARG 31 8.510 -0.878 10.444 266 HH12 ARG 31 2HH1 ARG 31 9.793 -0.255 11.435 267 HH21 ARG 31 1HH2 ARG 31 8.566 3.024 11.516 268 HH22 ARG 31 2HH2 ARG 31 9.824 1.948 12.037 269 H ARG 32 H ARG 32 1.608 0.455 7.443 270 HA ARG 32 HA ARG 32 0.208 1.255 9.806 271 HB2 ARG 32 2HB ARG 32 2.455 2.783 9.465 272 HB3 ARG 32 3HB ARG 32 1.380 3.684 8.418 273 HG2 ARG 32 2HG ARG 32 0.823 3.099 11.344 274 HG3 ARG 32 3HG ARG 32 1.611 4.563 10.762 275 HD2 ARG 32 2HD ARG 32 -0.429 5.170 9.513 276 HD3 ARG 32 3HD ARG 32 -1.218 3.687 10.074 277 HE ARG 32 HE ARG 32 -0.244 5.738 11.977 278 HH11 ARG 32 1HH1 ARG 32 -2.894 3.772 10.760 279 HH12 ARG 32 2HH1 ARG 32 -3.977 4.238 12.030 280 HH21 ARG 32 1HH2 ARG 32 -1.678 6.347 13.625 281 HH22 ARG 32 2HH2 ARG 32 -3.288 5.700 13.654 282 H VAL 33 H VAL 33 -1.837 2.248 9.195 283 HA VAL 33 HA VAL 33 -2.368 2.607 6.292 284 HB VAL 33 HB VAL 33 -4.300 1.312 8.300 285 HG11 VAL 33 1HG1 VAL 33 -5.509 2.638 6.625 286 HG12 VAL 33 2HG1 VAL 33 -5.774 0.915 6.353 287 HG13 VAL 33 3HG1 VAL 33 -4.654 1.807 5.321 288 HG21 VAL 33 1HG2 VAL 33 -2.840 0.015 5.972 289 HG22 VAL 33 2HG2 VAL 33 -4.049 -0.763 6.998 290 HG23 VAL 33 3HG2 VAL 33 -2.505 -0.253 7.686 291 H GLN 34 H GLN 34 -3.286 4.559 5.837 292 HA GLN 34 HA GLN 34 -4.619 6.146 7.978 293 HB2 GLN 34 2HB GLN 34 -2.846 7.067 5.653 294 HB3 GLN 34 3HB GLN 34 -3.817 8.177 6.611 295 HG2 GLN 34 2HG GLN 34 -1.682 6.395 7.817 296 HG3 GLN 34 3HG GLN 34 -1.367 8.024 7.228 297 HE21 GLN 34 1HE2 GLN 34 -2.988 6.144 9.682 298 HE22 GLN 34 2HE2 GLN 34 -3.276 7.452 10.772 299 H LYS 35 H LYS 35 -6.811 5.877 7.507 300 HA LYS 35 HA LYS 35 -7.780 6.182 4.739 301 HB2 LYS 35 2HB LYS 35 -8.917 4.438 5.966 302 HB3 LYS 35 3HB LYS 35 -9.164 5.474 7.365 303 HG2 LYS 35 2HG LYS 35 -11.268 5.134 6.169 304 HG3 LYS 35 3HG LYS 35 -10.784 6.829 6.108 305 HD2 LYS 35 2HD LYS 35 -9.885 6.415 3.782 306 HD3 LYS 35 3HD LYS 35 -10.551 4.781 3.870 307 HE2 LYS 35 2HE LYS 35 -12.137 7.365 4.018 308 HE3 LYS 35 3HE LYS 35 -12.053 6.273 2.635 309 HZ1 LYS 35 1HZ LYS 35 -13.190 4.600 3.851 310 HZ2 LYS 35 2HZ LYS 35 -14.070 6.025 4.035 311 HZ3 LYS 35 3HZ LYS 35 -13.095 5.469 5.293 312 H GLN 36 H GLN 36 -7.878 8.221 4.057 313 HA GLN 36 HA GLN 36 -8.815 10.395 5.843 314 HB2 GLN 36 2HB GLN 36 -6.370 10.564 5.342 315 HB3 GLN 36 3HB GLN 36 -6.724 10.591 3.624 316 HG2 GLN 36 2HG GLN 36 -7.929 12.711 3.878 317 HG3 GLN 36 3HG GLN 36 -7.662 12.672 5.620 318 HE21 GLN 36 1HE2 GLN 36 -5.560 13.091 6.426 319 HE22 GLN 36 2HE2 GLN 36 -4.372 13.888 5.454 320 H GLY 37 H GLY 37 -10.952 10.107 5.126 321 HA2 GLY 37 2HA GLY 37 -12.782 10.838 3.982 322 HA3 GLY 37 3HA GLY 37 -11.710 11.841 3.023 323 H ASN 38 H ASN 38 -10.749 10.913 1.123 324 HA ASN 38 HA ASN 38 -12.352 8.757 -0.134 325 HB2 ASN 38 2HB ASN 38 -11.283 11.327 -1.376 326 HB3 ASN 38 3HB ASN 38 -11.956 9.998 -2.315 327 HD21 ASN 38 1HD2 ASN 38 -13.627 11.227 -3.148 328 HD22 ASN 38 2HD2 ASN 38 -14.952 11.802 -2.204 329 H THR 39 H THR 39 -9.378 9.158 1.109 330 HA THR 39 HA THR 39 -8.040 7.472 -0.917 331 HB THR 39 HB THR 39 -6.785 10.022 0.212 332 HG1 THR 39 HG1 THR 39 -8.237 9.491 -2.095 333 HG21 THR 39 1HG2 THR 39 -5.693 8.044 -1.842 334 HG22 THR 39 2HG2 THR 39 -5.079 8.266 -0.197 335 HG23 THR 39 3HG2 THR 39 -4.938 9.566 -1.386 336 H ILE 40 H ILE 40 -7.368 5.722 0.157 337 HA ILE 40 HA ILE 40 -6.403 5.865 2.923 338 HB ILE 40 HB ILE 40 -6.642 3.386 1.157 339 HG12 ILE 40 2HG1 ILE 40 -8.612 4.533 3.170 340 HG13 ILE 40 3HG1 ILE 40 -8.864 4.368 1.437 341 HG21 ILE 40 1HG2 ILE 40 -6.332 3.647 4.176 342 HG22 ILE 40 2HG2 ILE 40 -5.059 3.163 3.053 343 HG23 ILE 40 3HG2 ILE 40 -6.476 2.136 3.276 344 HD11 ILE 40 1HD1 ILE 40 -8.608 2.122 3.434 345 HD12 ILE 40 2HD1 ILE 40 -8.807 1.931 1.688 346 HD13 ILE 40 3HD1 ILE 40 -10.078 2.691 2.643 347 H ARG 41 H ARG 41 -4.353 6.594 3.018 348 HA ARG 41 HA ARG 41 -2.274 5.760 1.123 349 HB2 ARG 41 2HB ARG 41 -1.963 7.474 3.629 350 HB3 ARG 41 3HB ARG 41 -0.861 7.371 2.259 351 HG2 ARG 41 2HG ARG 41 -2.471 8.530 0.833 352 HG3 ARG 41 3HG ARG 41 -3.656 8.544 2.148 353 HD2 ARG 41 2HD ARG 41 -1.046 10.076 1.967 354 HD3 ARG 41 3HD ARG 41 -2.684 10.714 2.143 355 HE ARG 41 HE ARG 41 -1.368 9.126 4.275 356 HH11 ARG 41 1HH1 ARG 41 -3.099 12.075 3.351 357 HH12 ARG 41 2HH1 ARG 41 -3.221 12.631 4.993 358 HH21 ARG 41 1HH2 ARG 41 -1.513 9.887 6.370 359 HH22 ARG 41 2HH2 ARG 41 -2.319 11.388 6.700 360 H VAL 42 H VAL 42 -1.865 3.601 1.534 361 HA VAL 42 HA VAL 42 -1.494 2.640 4.284 362 HB VAL 42 HB VAL 42 -1.232 1.038 1.686 363 HG11 VAL 42 1HG1 VAL 42 -1.563 0.081 4.558 364 HG12 VAL 42 2HG1 VAL 42 -0.080 -0.010 3.604 365 HG13 VAL 42 3HG1 VAL 42 -1.494 -0.953 3.124 366 HG21 VAL 42 1HG2 VAL 42 -3.494 0.162 2.178 367 HG22 VAL 42 2HG2 VAL 42 -3.507 1.897 1.852 368 HG23 VAL 42 3HG2 VAL 42 -3.637 1.309 3.516 369 H GLU 43 H GLU 43 0.440 3.056 5.141 370 HA GLU 43 HA GLU 43 2.942 3.004 3.692 371 HB2 GLU 43 2HB GLU 43 2.330 2.938 6.686 372 HB3 GLU 43 3HB GLU 43 3.944 3.077 6.006 373 HG2 GLU 43 2HG GLU 43 3.199 5.247 6.774 374 HG3 GLU 43 3HG GLU 43 3.343 5.259 5.020 375 H LEU 44 H LEU 44 4.035 1.153 3.204 376 HA LEU 44 HA LEU 44 3.465 -1.314 4.756 377 HB2 LEU 44 2HB LEU 44 4.168 -1.282 1.792 378 HB3 LEU 44 3HB LEU 44 3.755 -2.667 2.781 379 HG LEU 44 HG LEU 44 1.435 -1.264 3.066 380 HD11 LEU 44 1HD1 LEU 44 2.138 0.607 1.672 381 HD12 LEU 44 2HD1 LEU 44 0.765 -0.234 0.955 382 HD13 LEU 44 3HD1 LEU 44 2.389 -0.479 0.302 383 HD21 LEU 44 1HD2 LEU 44 1.582 -3.597 2.320 384 HD22 LEU 44 2HD2 LEU 44 2.022 -3.060 0.698 385 HD23 LEU 44 3HD2 LEU 44 0.425 -2.682 1.352 386 H GLU 45 H GLU 45 5.229 -2.777 4.904 387 HA GLU 45 HA GLU 45 7.859 -1.441 4.925 388 HB2 GLU 45 2HB GLU 45 6.913 -2.061 7.114 389 HB3 GLU 45 3HB GLU 45 6.699 -3.725 6.585 390 HG2 GLU 45 2HG GLU 45 9.101 -4.065 6.493 391 HG3 GLU 45 3HG GLU 45 9.398 -2.361 6.836 392 H LEU 46 H LEU 46 8.857 -1.996 3.067 393 HA LEU 46 HA LEU 46 8.715 -4.734 1.968 394 HB2 LEU 46 2HB LEU 46 8.085 -2.880 0.472 395 HB3 LEU 46 3HB LEU 46 9.614 -2.081 0.751 396 HG LEU 46 HG LEU 46 9.611 -4.837 -0.520 397 HD11 LEU 46 1HD1 LEU 46 7.960 -3.592 -1.838 398 HD12 LEU 46 2HD1 LEU 46 9.432 -3.869 -2.765 399 HD13 LEU 46 3HD1 LEU 46 9.115 -2.275 -2.070 400 HD21 LEU 46 1HD2 LEU 46 11.630 -3.997 -1.657 401 HD22 LEU 46 2HD2 LEU 46 11.779 -3.875 0.093 402 HD23 LEU 46 3HD2 LEU 46 11.432 -2.432 -0.864 403 H ARG 47 H ARG 47 10.488 -6.055 2.157 404 HA ARG 47 HA ARG 47 13.038 -4.903 3.172 405 HB2 ARG 47 2HB ARG 47 11.669 -7.461 4.108 406 HB3 ARG 47 3HB ARG 47 13.237 -6.881 4.665 407 HG2 ARG 47 2HG ARG 47 12.209 -4.935 5.707 408 HG3 ARG 47 3HG ARG 47 10.627 -5.367 5.050 409 HD2 ARG 47 2HD ARG 47 10.749 -5.978 7.398 410 HD3 ARG 47 3HD ARG 47 10.655 -7.441 6.414 411 HE ARG 47 HE ARG 47 13.351 -6.918 6.845 412 HH11 ARG 47 1HH1 ARG 47 10.554 -7.752 8.832 413 HH12 ARG 47 2HH1 ARG 47 11.508 -8.557 10.038 414 HH21 ARG 47 1HH2 ARG 47 14.582 -7.999 8.436 415 HH22 ARG 47 2HH2 ARG 47 13.782 -8.694 9.811 416 H THR 48 H THR 48 14.377 -5.101 1.401 417 HA THR 48 HA THR 48 14.449 -7.688 -0.077 418 HB THR 48 HB THR 48 15.504 -5.004 -1.095 419 HG1 THR 48 HG1 THR 48 13.515 -5.249 -2.477 420 HG21 THR 48 1HG2 THR 48 16.490 -6.983 -2.212 421 HG22 THR 48 2HG2 THR 48 15.425 -6.108 -3.312 422 HG23 THR 48 3HG2 THR 48 14.870 -7.604 -2.560 423 H ASN 49 H ASN 49 16.146 -8.917 0.496 424 HA ASN 49 HA ASN 49 18.216 -9.685 0.908 425 HB2 ASN 49 2HB ASN 49 18.639 -8.424 -1.246 426 HB3 ASN 49 3HB ASN 49 19.196 -7.051 -0.303 427 HD21 ASN 49 1HD2 ASN 49 19.866 -10.431 -1.088 428 HD22 ASN 49 2HD2 ASN 49 21.561 -10.363 -0.759 429 H GLY 50 H GLY 50 16.822 -8.003 2.951 430 HA2 GLY 50 2HA GLY 50 17.395 -7.921 5.243 431 HA3 GLY 50 3HA GLY 50 19.084 -7.699 4.829 432 H LYS 51 H LYS 51 17.936 -5.528 2.768 433 HA LYS 51 HA LYS 51 17.982 -3.303 4.650 434 HB2 LYS 51 2HB LYS 51 18.252 -1.858 2.839 435 HB3 LYS 51 3HB LYS 51 18.987 -3.316 2.216 436 HG2 LYS 51 2HG LYS 51 17.809 -2.602 0.368 437 HG3 LYS 51 3HG LYS 51 16.620 -3.684 1.090 438 HD2 LYS 51 2HD LYS 51 15.427 -1.749 2.061 439 HD3 LYS 51 3HD LYS 51 16.668 -0.651 1.457 440 HE2 LYS 51 2HE LYS 51 14.948 -2.375 -0.359 441 HE3 LYS 51 3HE LYS 51 14.540 -0.720 0.097 442 HZ1 LYS 51 1HZ LYS 51 16.473 0.095 -0.972 443 HZ2 LYS 51 2HZ LYS 51 15.738 -0.957 -2.068 444 HZ3 LYS 51 3HZ LYS 51 17.100 -1.448 -1.206 445 H LYS 52 H LYS 52 16.234 -1.889 5.060 446 HA LYS 52 HA LYS 52 13.527 -2.862 4.333 447 HB2 LYS 52 2HB LYS 52 13.978 -3.148 6.733 448 HB3 LYS 52 3HB LYS 52 14.454 -1.459 6.883 449 HG2 LYS 52 2HG LYS 52 12.140 -0.769 6.301 450 HG3 LYS 52 3HG LYS 52 11.670 -2.468 6.179 451 HD2 LYS 52 2HD LYS 52 12.666 -1.054 8.684 452 HD3 LYS 52 3HD LYS 52 10.995 -1.510 8.343 453 HE2 LYS 52 2HE LYS 52 11.826 -3.935 8.231 454 HE3 LYS 52 3HE LYS 52 13.344 -3.345 8.915 455 HZ1 LYS 52 1HZ LYS 52 11.955 -4.127 10.664 456 HZ2 LYS 52 2HZ LYS 52 10.651 -3.184 10.156 457 HZ3 LYS 52 3HZ LYS 52 12.033 -2.449 10.794 458 H GLU 53 H GLU 53 12.234 -1.425 3.334 459 HA GLU 53 HA GLU 53 12.644 1.444 3.643 460 HB2 GLU 53 2HB GLU 53 13.909 0.621 1.547 461 HB3 GLU 53 3HB GLU 53 12.337 0.277 0.841 462 HG2 GLU 53 2HG GLU 53 11.716 2.583 0.828 463 HG3 GLU 53 3HG GLU 53 13.041 3.029 1.906 464 H ASN 54 H ASN 54 10.767 2.411 3.911 465 HA ASN 54 HA ASN 54 8.281 0.895 3.807 466 HB2 ASN 54 2HB ASN 54 8.963 3.655 4.911 467 HB3 ASN 54 3HB ASN 54 7.363 2.931 4.997 468 HD21 ASN 54 1HD2 ASN 54 10.335 1.027 5.539 469 HD22 ASN 54 2HD2 ASN 54 10.070 0.814 7.227 470 H TYR 55 H TYR 55 6.525 1.444 2.488 471 HA TYR 55 HA TYR 55 6.861 3.640 0.526 472 HB2 TYR 55 2HB TYR 55 5.962 0.780 -0.052 473 HB3 TYR 55 3HB TYR 55 5.728 2.112 -1.174 474 HD1 TYR 55 HD1 TYR 55 7.490 2.804 -2.641 475 HD2 TYR 55 HD2 TYR 55 8.366 0.050 0.505 476 HE1 TYR 55 HE1 TYR 55 9.673 2.342 -3.658 477 HE2 TYR 55 HE2 TYR 55 10.571 -0.404 -0.496 478 HH TYR 55 HH TYR 55 11.952 1.500 -2.840 479 H THR 56 H THR 56 5.224 5.030 0.835 480 HA THR 56 HA THR 56 2.609 4.214 1.806 481 HB THR 56 HB THR 56 3.686 6.913 0.872 482 HG1 THR 56 HG1 THR 56 2.967 6.174 3.518 483 HG21 THR 56 1HG2 THR 56 1.005 6.315 2.186 484 HG22 THR 56 2HG2 THR 56 1.247 6.889 0.532 485 HG23 THR 56 3HG2 THR 56 1.670 7.922 1.899 486 H VAL 57 H VAL 57 1.646 2.946 0.271 487 HA VAL 57 HA VAL 57 1.396 3.881 -2.503 488 HB VAL 57 HB VAL 57 0.341 1.307 -1.219 489 HG11 VAL 57 1HG1 VAL 57 0.447 2.087 -4.163 490 HG12 VAL 57 2HG1 VAL 57 -1.012 1.976 -3.176 491 HG13 VAL 57 3HG1 VAL 57 -0.075 0.522 -3.528 492 HG21 VAL 57 1HG2 VAL 57 2.768 1.690 -3.015 493 HG22 VAL 57 2HG2 VAL 57 2.166 0.146 -2.403 494 HG23 VAL 57 3HG2 VAL 57 2.810 1.349 -1.282 495 H GLU 58 H GLU 58 0.001 5.492 -2.595 496 HA GLU 58 HA GLU 58 -2.318 5.776 -0.901 497 HB2 GLU 58 2HB GLU 58 -1.456 7.382 -3.345 498 HB3 GLU 58 3HB GLU 58 -2.699 7.858 -2.186 499 HG2 GLU 58 2HG GLU 58 -0.949 7.979 -0.408 500 HG3 GLU 58 3HG GLU 58 0.268 7.548 -1.610 501 H VAL 59 H VAL 59 -4.057 4.600 -1.321 502 HA VAL 59 HA VAL 59 -4.912 4.040 -4.097 503 HB VAL 59 HB VAL 59 -5.603 2.442 -1.584 504 HG11 VAL 59 1HG1 VAL 59 -6.116 1.828 -4.510 505 HG12 VAL 59 2HG1 VAL 59 -7.327 2.297 -3.313 506 HG13 VAL 59 3HG1 VAL 59 -6.483 0.754 -3.155 507 HG21 VAL 59 1HG2 VAL 59 -3.566 1.753 -3.744 508 HG22 VAL 59 2HG2 VAL 59 -4.069 0.685 -2.429 509 HG23 VAL 59 3HG2 VAL 59 -3.205 2.179 -2.065 510 H GLU 60 H GLU 60 -6.729 5.049 -4.668 511 HA GLU 60 HA GLU 60 -8.259 6.631 -2.725 512 HB2 GLU 60 2HB GLU 60 -7.122 7.795 -4.594 513 HB3 GLU 60 3HB GLU 60 -7.980 6.801 -5.760 514 HG2 GLU 60 2HG GLU 60 -10.138 7.833 -4.902 515 HG3 GLU 60 3HG GLU 60 -9.153 8.933 -3.941 516 H ARG 61 H ARG 61 -10.478 6.452 -2.600 517 HA ARG 61 HA ARG 61 -11.800 4.120 -3.658 518 HB2 ARG 61 2HB ARG 61 -12.208 5.041 -1.339 519 HB3 ARG 61 3HB ARG 61 -12.981 6.445 -2.071 520 HG2 ARG 61 2HG ARG 61 -14.638 4.806 -1.289 521 HG3 ARG 61 3HG ARG 61 -14.726 5.009 -3.039 522 HD2 ARG 61 2HD ARG 61 -13.579 2.921 -3.412 523 HD3 ARG 61 3HD ARG 61 -13.192 2.758 -1.696 524 HE ARG 61 HE ARG 61 -15.971 2.906 -1.983 525 HH11 ARG 61 1HH1 ARG 61 -13.390 0.658 -2.825 526 HH12 ARG 61 2HH1 ARG 61 -14.419 -0.732 -2.726 527 HH21 ARG 61 1HH2 ARG 61 -17.276 1.064 -1.760 528 HH22 ARG 61 2HH2 ARG 61 -16.625 -0.505 -2.120 529 H GLN 62 H GLN 62 -12.257 4.211 -5.750 530 HA GLN 62 HA GLN 62 -13.461 6.614 -7.000 531 HB2 GLN 62 2HB GLN 62 -11.328 5.825 -8.006 532 HB3 GLN 62 3HB GLN 62 -12.007 4.223 -8.255 533 HG2 GLN 62 2HG GLN 62 -13.603 5.131 -9.878 534 HG3 GLN 62 3HG GLN 62 -12.998 6.764 -9.589 535 HE21 GLN 62 1HE2 GLN 62 -10.965 7.350 -10.448 536 HE22 GLN 62 2HE2 GLN 62 -10.159 6.390 -11.637 537 H GLY 63 H GLY 63 -15.578 6.235 -6.325 538 HA2 GLY 63 2HA GLY 63 -17.720 5.407 -6.431 539 HA3 GLY 63 3HA GLY 63 -17.204 4.319 -7.712 540 H ASN 64 H ASN 64 -17.063 2.202 -7.236 541 HA ASN 64 HA ASN 64 -16.938 1.303 -4.410 542 HB2 ASN 64 2HB ASN 64 -19.041 0.733 -5.875 543 HB3 ASN 64 3HB ASN 64 -17.997 -0.427 -6.686 544 HD21 ASN 64 1HD2 ASN 64 -20.373 -0.987 -5.176 545 HD22 ASN 64 2HD2 ASN 64 -19.926 -2.024 -3.869 546 H THR 65 H THR 65 -15.088 1.636 -7.177 547 HA THR 65 HA THR 65 -13.410 -0.743 -6.644 548 HB THR 65 HB THR 65 -12.150 0.005 -8.726 549 HG1 THR 65 HG1 THR 65 -13.296 2.228 -8.487 550 HG21 THR 65 1HG2 THR 65 -13.832 -1.783 -8.860 551 HG22 THR 65 2HG2 THR 65 -13.850 -0.802 -10.324 552 HG23 THR 65 3HG2 THR 65 -15.107 -0.584 -9.104 553 H TRP 66 H TRP 66 -11.020 -0.282 -6.921 554 HA TRP 66 HA TRP 66 -10.150 2.042 -5.302 555 HB2 TRP 66 2HB TRP 66 -9.091 -0.830 -5.327 556 HB3 TRP 66 3HB TRP 66 -8.338 0.499 -4.457 557 HD1 TRP 66 HD1 TRP 66 -10.921 -2.155 -4.016 558 HE1 TRP 66 HE1 TRP 66 -12.130 -1.851 -1.768 559 HE3 TRP 66 HE3 TRP 66 -9.313 2.573 -2.849 560 HZ2 TRP 66 HZ2 TRP 66 -12.384 0.118 0.219 561 HZ3 TRP 66 HZ3 TRP 66 -10.099 3.597 -0.752 562 HH2 TRP 66 HH2 TRP 66 -11.606 2.389 0.748 563 H THR 67 H THR 67 -8.319 3.148 -6.044 564 HA THR 67 HA THR 67 -6.917 2.151 -8.440 565 HB THR 67 HB THR 67 -8.738 3.511 -9.346 566 HG1 THR 67 HG1 THR 67 -6.553 3.599 -10.255 567 HG21 THR 67 1HG2 THR 67 -7.647 5.854 -7.735 568 HG22 THR 67 2HG2 THR 67 -9.180 5.029 -7.438 569 HG23 THR 67 3HG2 THR 67 -8.937 5.938 -8.933 570 H VAL 68 H VAL 68 -4.796 2.381 -8.234 571 HA VAL 68 HA VAL 68 -3.646 3.634 -5.915 572 HB VAL 68 HB VAL 68 -2.289 2.250 -8.277 573 HG11 VAL 68 1HG1 VAL 68 -1.093 3.059 -5.599 574 HG12 VAL 68 2HG1 VAL 68 -0.702 3.764 -7.170 575 HG13 VAL 68 3HG1 VAL 68 -0.285 2.083 -6.828 576 HG21 VAL 68 1HG2 VAL 68 -3.775 0.743 -7.020 577 HG22 VAL 68 2HG2 VAL 68 -2.977 1.188 -5.508 578 HG23 VAL 68 3HG2 VAL 68 -2.085 0.311 -6.755 579 H LYS 69 H LYS 69 -3.340 5.741 -5.831 580 HA LYS 69 HA LYS 69 -3.142 7.603 -7.934 581 HB2 LYS 69 2HB LYS 69 -2.160 7.902 -5.048 582 HB3 LYS 69 3HB LYS 69 -2.498 9.219 -6.165 583 HG2 LYS 69 2HG LYS 69 -4.536 7.285 -5.024 584 HG3 LYS 69 3HG LYS 69 -4.289 8.954 -4.506 585 HD2 LYS 69 2HD LYS 69 -5.199 8.096 -7.281 586 HD3 LYS 69 3HD LYS 69 -6.251 8.683 -5.997 587 HE2 LYS 69 2HE LYS 69 -5.052 10.854 -6.022 588 HE3 LYS 69 3HE LYS 69 -4.052 10.267 -7.356 589 HZ1 LYS 69 1HZ LYS 69 -7.008 10.528 -7.429 590 HZ2 LYS 69 2HZ LYS 69 -6.017 10.047 -8.707 591 HZ3 LYS 69 3HZ LYS 69 -5.917 11.622 -8.117 592 H ARG 70 H ARG 70 -0.686 6.288 -5.730 593 HA ARG 70 HA ARG 70 1.285 5.912 -7.729 594 HB2 ARG 70 2HB ARG 70 2.951 7.545 -7.181 595 HB3 ARG 70 3HB ARG 70 1.456 8.449 -7.372 596 HG2 ARG 70 2HG ARG 70 1.214 8.574 -4.906 597 HG3 ARG 70 3HG ARG 70 2.711 7.658 -4.717 598 HD2 ARG 70 2HD ARG 70 3.210 9.989 -4.378 599 HD3 ARG 70 3HD ARG 70 3.924 9.497 -5.918 600 HE ARG 70 HE ARG 70 1.309 10.590 -6.242 601 HH11 ARG 70 1HH1 ARG 70 4.684 11.547 -5.834 602 HH12 ARG 70 2HH1 ARG 70 4.454 13.095 -6.582 603 HH21 ARG 70 1HH2 ARG 70 1.020 12.630 -7.177 604 HH22 ARG 70 2HH2 ARG 70 2.371 13.704 -7.341 605 H ILE 71 H ILE 71 3.255 5.014 -6.845 606 HA ILE 71 HA ILE 71 3.111 3.991 -4.080 607 HB ILE 71 HB ILE 71 5.016 3.270 -6.363 608 HG12 ILE 71 2HG1 ILE 71 2.726 1.638 -5.166 609 HG13 ILE 71 3HG1 ILE 71 2.686 2.448 -6.728 610 HG21 ILE 71 1HG2 ILE 71 5.822 1.453 -4.898 611 HG22 ILE 71 2HG2 ILE 71 4.792 2.043 -3.592 612 HG23 ILE 71 3HG2 ILE 71 6.124 3.040 -4.184 613 HD11 ILE 71 1HD1 ILE 71 4.615 0.996 -7.422 614 HD12 ILE 71 2HD1 ILE 71 3.088 0.173 -7.134 615 HD13 ILE 71 3HD1 ILE 71 4.368 0.087 -5.924 616 H THR 72 H THR 72 3.917 5.510 -2.726 617 HA THR 72 HA THR 72 6.060 7.341 -3.515 618 HB THR 72 HB THR 72 4.535 7.255 -0.864 619 HG1 THR 72 HG1 THR 72 2.961 7.593 -2.354 620 HG21 THR 72 1HG2 THR 72 5.155 9.647 -0.720 621 HG22 THR 72 2HG2 THR 72 6.048 9.518 -2.235 622 HG23 THR 72 3HG2 THR 72 6.593 8.624 -0.813 623 H ARG 73 H ARG 73 8.081 6.506 -3.238 624 HA ARG 73 HA ARG 73 8.903 4.657 -1.227 625 HB2 ARG 73 2HB ARG 73 10.217 5.001 -3.289 626 HB3 ARG 73 3HB ARG 73 10.498 6.690 -2.869 627 HG2 ARG 73 2HG ARG 73 11.793 5.929 -0.866 628 HG3 ARG 73 3HG ARG 73 11.569 4.257 -1.392 629 HD2 ARG 73 2HD ARG 73 13.030 6.434 -2.924 630 HD3 ARG 73 3HD ARG 73 13.780 5.104 -2.038 631 HE ARG 73 HE ARG 73 12.037 4.707 -4.402 632 HH11 ARG 73 1HH1 ARG 73 14.960 3.896 -2.625 633 HH12 ARG 73 2HH1 ARG 73 15.457 2.686 -3.763 634 HH21 ARG 73 1HH2 ARG 73 12.673 3.090 -5.856 635 HH22 ARG 73 2HH2 ARG 73 14.154 2.231 -5.598 636 H THR 74 H THR 74 9.712 5.059 0.879 637 HA THR 74 HA THR 74 9.144 7.522 2.164 638 HB THR 74 HB THR 74 9.305 5.409 3.463 639 HG1 THR 74 HG1 THR 74 9.718 7.586 4.401 640 HG21 THR 74 1HG2 THR 74 12.313 5.613 3.043 641 HG22 THR 74 2HG2 THR 74 11.262 4.357 2.390 642 HG23 THR 74 3HG2 THR 74 11.497 4.485 4.132 643 H VAL 75 H VAL 75 10.423 9.228 2.639 644 HA VAL 75 HA VAL 75 13.054 9.425 1.321 645 HB VAL 75 HB VAL 75 11.243 10.607 0.064 646 HG11 VAL 75 1HG1 VAL 75 10.207 12.663 0.910 647 HG12 VAL 75 2HG1 VAL 75 10.964 12.412 2.485 648 HG13 VAL 75 3HG1 VAL 75 9.760 11.265 1.895 649 HG21 VAL 75 1HG2 VAL 75 13.545 11.375 -0.137 650 HG22 VAL 75 2HG2 VAL 75 13.331 12.452 1.242 651 HG23 VAL 75 3HG2 VAL 75 12.426 12.736 -0.244 652 H GLY 76 H GLY 76 14.641 10.249 2.550 653 HA2 GLY 76 2HA GLY 76 14.263 11.797 4.979 654 HA3 GLY 76 3HA GLY 76 14.758 10.126 5.268 655 H SER 77 H SER 77 15.789 13.247 4.378 656 HA SER 77 HA SER 77 17.675 14.229 3.619 657 HB2 SER 77 2HB SER 77 19.066 11.716 4.658 658 HB3 SER 77 3HB SER 77 19.844 13.267 4.323 659 HG SER 77 HG SER 77 18.155 14.078 5.908 660 H LEU 78 H LEU 78 16.123 12.446 1.856 661 HA LEU 78 HA LEU 78 18.129 11.579 -0.145 662 HB2 LEU 78 2HB LEU 78 16.534 9.870 0.918 663 HB3 LEU 78 3HB LEU 78 15.220 10.676 0.092 664 HG LEU 78 HG LEU 78 17.560 9.389 -1.393 665 HD11 LEU 78 1HD1 LEU 78 16.144 7.423 -1.775 666 HD12 LEU 78 2HD1 LEU 78 14.882 8.106 -0.747 667 HD13 LEU 78 3HD1 LEU 78 16.443 7.660 -0.052 668 HD21 LEU 78 1HD2 LEU 78 16.287 11.005 -2.741 669 HD22 LEU 78 2HD2 LEU 78 14.790 10.143 -2.385 670 HD23 LEU 78 3HD2 LEU 78 16.058 9.358 -3.331 671 H GLU 79 H GLU 79 18.146 12.659 -2.032 672 HA GLU 79 HA GLU 79 16.558 14.998 -2.429 673 HB2 GLU 79 2HB GLU 79 18.937 14.816 -3.191 674 HB3 GLU 79 3HB GLU 79 18.448 13.619 -4.383 675 HG2 GLU 79 2HG GLU 79 16.938 15.374 -5.406 676 HG3 GLU 79 3HG GLU 79 17.658 16.556 -4.314 677 H HIS 80 H HIS 80 14.423 14.318 -2.570 678 HA HIS 80 HA HIS 80 13.460 12.602 -4.686 679 HB2 HIS 80 2HB HIS 80 11.176 13.596 -4.037 680 HB3 HIS 80 3HB HIS 80 12.015 12.694 -2.786 681 HD1 HIS 80 HD1 HIS 80 13.157 14.156 -0.867 682 HD2 HIS 80 HD2 HIS 80 10.522 16.205 -3.338 683 HE1 HIS 80 HE1 HIS 80 12.546 16.236 0.383 684 HE2 HIS 80 HE2 HIS 80 11.066 17.524 -1.189 685 H HIS 81 H HIS 81 14.454 13.382 -6.480 686 HA HIS 81 HA HIS 81 14.829 16.089 -7.159 687 HB2 HIS 81 2HB HIS 81 16.263 14.143 -7.926 688 HB3 HIS 81 3HB HIS 81 14.973 13.673 -9.029 689 HD1 HIS 81 HD1 HIS 81 17.754 16.112 -8.590 690 HD2 HIS 81 HD2 HIS 81 14.709 15.385 -11.319 691 HE1 HIS 81 HE1 HIS 81 18.305 17.506 -10.596 692 HE2 HIS 81 HE2 HIS 81 16.501 16.986 -12.266 693 H HIS 82 H HIS 82 13.461 17.482 -7.995 694 HA HIS 82 HA HIS 82 10.726 16.881 -8.462 695 HB2 HIS 82 2HB HIS 82 12.264 19.478 -8.889 696 HB3 HIS 82 3HB HIS 82 10.506 19.330 -8.870 697 HD1 HIS 82 HD1 HIS 82 13.374 19.872 -6.676 698 HD2 HIS 82 HD2 HIS 82 9.470 18.512 -6.261 699 HE1 HIS 82 HE1 HIS 82 12.873 20.013 -4.223 700 HE2 HIS 82 HE2 HIS 82 10.503 19.195 -4.004 701 H HIS 83 H HIS 83 10.289 15.702 -10.229 702 HA HIS 83 HA HIS 83 10.945 16.835 -12.901 703 HB2 HIS 83 2HB HIS 83 11.942 14.566 -12.472 704 HB3 HIS 83 3HB HIS 83 10.333 13.922 -12.181 705 HD1 HIS 83 HD1 HIS 83 9.517 12.676 -14.147 706 HD2 HIS 83 HD2 HIS 83 11.942 15.842 -15.296 707 HE1 HIS 83 HE1 HIS 83 9.708 12.506 -16.637 708 HE2 HIS 83 HE2 HIS 83 11.045 14.521 -17.319 709 H HIS 84 H HIS 84 9.205 17.581 -13.990 710 HA HIS 84 HA HIS 84 6.676 17.766 -12.699 711 HB2 HIS 84 2HB HIS 84 7.648 19.566 -14.162 712 HB3 HIS 84 3HB HIS 84 7.380 18.544 -15.573 713 HD1 HIS 84 HD1 HIS 84 5.700 20.946 -13.322 714 HD2 HIS 84 HD2 HIS 84 4.533 18.191 -16.213 715 HE1 HIS 84 HE1 HIS 84 3.325 21.516 -13.885 716 HE2 HIS 84 HE2 HIS 84 2.627 19.814 -15.602 717 H HIS 85 H HIS 85 4.807 16.731 -13.033 718 HA HIS 85 HA HIS 85 4.437 14.805 -15.224 719 HB2 HIS 85 2HB HIS 85 3.562 13.079 -13.705 720 HB3 HIS 85 3HB HIS 85 5.214 13.476 -13.273 721 HD1 HIS 85 HD1 HIS 85 1.924 13.075 -11.858 722 HD2 HIS 85 HD2 HIS 85 5.347 15.207 -10.870 723 HE1 HIS 85 HE1 HIS 85 1.655 13.693 -9.451 724 HE2 HIS 85 HE2 HIS 85 3.604 15.211 -8.973 Start of MODEL 14 1 H1 MET 1 1H MET 1 -25.215 -4.564 4.425 2 H2 MET 1 2H MET 1 -25.152 -4.879 6.083 3 H3 MET 1 3H MET 1 -25.613 -6.100 5.012 4 HA MET 1 HA MET 1 -23.381 -6.456 5.757 5 HB2 MET 1 2HB MET 1 -24.003 -7.155 3.471 6 HB3 MET 1 3HB MET 1 -23.586 -5.569 2.844 7 HG2 MET 1 2HG MET 1 -21.228 -5.957 3.372 8 HG3 MET 1 3HG MET 1 -21.629 -7.516 4.094 9 HE1 MET 1 1HE MET 1 -23.910 -8.536 1.926 10 HE2 MET 1 2HE MET 1 -22.684 -9.558 2.682 11 HE3 MET 1 3HE MET 1 -22.858 -9.542 0.927 12 HA PRO 2 HA PRO 2 -21.130 -2.478 6.232 13 HB2 PRO 2 2HB PRO 2 -19.634 -3.151 8.388 14 HB3 PRO 2 3HB PRO 2 -21.359 -2.771 8.554 15 HG2 PRO 2 2HG PRO 2 -20.007 -5.437 8.581 16 HG3 PRO 2 3HG PRO 2 -21.407 -4.867 9.514 17 HD2 PRO 2 2HD PRO 2 -21.543 -6.427 7.179 18 HD3 PRO 2 3HD PRO 2 -22.884 -5.510 7.895 19 H SER 3 H SER 3 -19.665 -2.242 4.652 20 HA SER 3 HA SER 3 -17.589 -4.287 4.123 21 HB2 SER 3 2HB SER 3 -17.407 -3.144 1.907 22 HB3 SER 3 3HB SER 3 -19.038 -3.725 2.234 23 HG SER 3 HG SER 3 -19.362 -1.464 3.082 24 H GLU 4 H GLU 4 -17.715 -1.818 6.097 25 HA GLU 4 HA GLU 4 -15.874 0.144 5.305 26 HB2 GLU 4 2HB GLU 4 -17.516 0.475 7.104 27 HB3 GLU 4 3HB GLU 4 -16.714 -0.736 8.097 28 HG2 GLU 4 2HG GLU 4 -14.707 0.711 8.226 29 HG3 GLU 4 3HG GLU 4 -15.523 1.932 7.249 30 H GLU 5 H GLU 5 -15.426 -2.639 7.498 31 HA GLU 5 HA GLU 5 -12.629 -2.217 7.873 32 HB2 GLU 5 2HB GLU 5 -14.150 -3.421 9.489 33 HB3 GLU 5 3HB GLU 5 -14.219 -4.771 8.359 34 HG2 GLU 5 2HG GLU 5 -12.616 -5.121 10.233 35 HG3 GLU 5 3HG GLU 5 -11.859 -5.218 8.644 36 H GLU 6 H GLU 6 -14.556 -3.953 5.571 37 HA GLU 6 HA GLU 6 -12.589 -5.630 4.425 38 HB2 GLU 6 2HB GLU 6 -15.038 -5.976 4.198 39 HB3 GLU 6 3HB GLU 6 -15.148 -4.544 3.176 40 HG2 GLU 6 2HG GLU 6 -13.764 -5.607 1.476 41 HG3 GLU 6 3HG GLU 6 -13.502 -7.008 2.517 42 H GLU 7 H GLU 7 -13.478 -2.256 3.913 43 HA GLU 7 HA GLU 7 -12.154 -1.676 1.511 44 HB2 GLU 7 2HB GLU 7 -12.413 0.095 3.979 45 HB3 GLU 7 3HB GLU 7 -11.918 0.660 2.383 46 HG2 GLU 7 2HG GLU 7 -14.128 -0.046 1.480 47 HG3 GLU 7 3HG GLU 7 -14.617 -0.511 3.112 48 H LYS 8 H LYS 8 -10.932 -1.800 4.828 49 HA LYS 8 HA LYS 8 -8.237 -1.068 4.295 50 HB2 LYS 8 2HB LYS 8 -9.361 -2.736 6.598 51 HB3 LYS 8 3HB LYS 8 -7.706 -2.154 6.511 52 HG2 LYS 8 2HG LYS 8 -8.851 -0.716 8.018 53 HG3 LYS 8 3HG LYS 8 -8.623 0.215 6.539 54 HD2 LYS 8 2HD LYS 8 -10.926 0.043 5.949 55 HD3 LYS 8 3HD LYS 8 -11.206 -1.271 7.091 56 HE2 LYS 8 2HE LYS 8 -10.594 1.603 7.858 57 HE3 LYS 8 3HE LYS 8 -12.198 0.864 7.851 58 HZ1 LYS 8 1HZ LYS 8 -9.899 0.074 9.554 59 HZ2 LYS 8 2HZ LYS 8 -11.375 -0.749 9.499 60 HZ3 LYS 8 3HZ LYS 8 -11.317 0.845 10.060 61 H ARG 9 H ARG 9 -9.933 -4.206 4.539 62 HA ARG 9 HA ARG 9 -7.747 -5.957 4.264 63 HB2 ARG 9 2HB ARG 9 -10.622 -6.454 3.369 64 HB3 ARG 9 3HB ARG 9 -9.398 -7.698 3.621 65 HG2 ARG 9 2HG ARG 9 -9.259 -6.902 6.039 66 HG3 ARG 9 3HG ARG 9 -10.691 -5.928 5.710 67 HD2 ARG 9 2HD ARG 9 -10.522 -8.944 5.432 68 HD3 ARG 9 3HD ARG 9 -11.218 -8.094 6.805 69 HE ARG 9 HE ARG 9 -12.365 -7.754 4.098 70 HH11 ARG 9 1HH1 ARG 9 -12.760 -8.799 7.424 71 HH12 ARG 9 2HH1 ARG 9 -14.474 -9.030 7.288 72 HH21 ARG 9 1HH2 ARG 9 -14.634 -8.132 3.911 73 HH22 ARG 9 2HH2 ARG 9 -15.531 -8.651 5.299 74 H GLN 10 H GLN 10 -9.759 -4.426 1.827 75 HA GLN 10 HA GLN 10 -8.695 -5.679 -0.497 76 HB2 GLN 10 2HB GLN 10 -10.194 -3.047 -0.132 77 HB3 GLN 10 3HB GLN 10 -9.758 -3.710 -1.706 78 HG2 GLN 10 2HG GLN 10 -11.197 -5.607 -1.418 79 HG3 GLN 10 3HG GLN 10 -11.480 -5.215 0.283 80 HE21 GLN 10 1HE2 GLN 10 -12.854 -3.489 0.793 81 HE22 GLN 10 2HE2 GLN 10 -13.946 -2.817 -0.351 82 H VAL 11 H VAL 11 -8.113 -2.487 1.000 83 HA VAL 11 HA VAL 11 -6.295 -1.573 -0.966 84 HB VAL 11 HB VAL 11 -6.909 -0.552 1.843 85 HG11 VAL 11 1HG1 VAL 11 -5.771 1.560 1.223 86 HG12 VAL 11 2HG1 VAL 11 -5.206 0.819 -0.274 87 HG13 VAL 11 3HG1 VAL 11 -4.640 0.210 1.278 88 HG21 VAL 11 1HG2 VAL 11 -7.723 0.424 -0.921 89 HG22 VAL 11 2HG2 VAL 11 -8.133 1.211 0.600 90 HG23 VAL 11 3HG2 VAL 11 -8.759 -0.396 0.253 91 H LYS 12 H LYS 12 -5.749 -3.194 2.155 92 HA LYS 12 HA LYS 12 -2.915 -2.900 2.256 93 HB2 LYS 12 2HB LYS 12 -4.663 -5.114 3.410 94 HB3 LYS 12 3HB LYS 12 -2.955 -4.903 3.782 95 HG2 LYS 12 2HG LYS 12 -3.454 -2.723 4.821 96 HG3 LYS 12 3HG LYS 12 -5.164 -2.940 4.450 97 HD2 LYS 12 2HD LYS 12 -3.557 -4.839 6.209 98 HD3 LYS 12 3HD LYS 12 -4.508 -3.497 6.836 99 HE2 LYS 12 2HE LYS 12 -5.797 -5.504 7.096 100 HE3 LYS 12 3HE LYS 12 -6.552 -4.553 5.823 101 HZ1 LYS 12 1HZ LYS 12 -6.434 -6.934 5.328 102 HZ2 LYS 12 2HZ LYS 12 -4.750 -6.872 5.372 103 HZ3 LYS 12 3HZ LYS 12 -5.594 -6.020 4.185 104 H GLN 13 H GLN 13 -5.066 -5.381 0.892 105 HA GLN 13 HA GLN 13 -3.049 -7.193 0.053 106 HB2 GLN 13 2HB GLN 13 -5.425 -7.867 0.343 107 HB3 GLN 13 3HB GLN 13 -5.888 -6.857 -1.024 108 HG2 GLN 13 2HG GLN 13 -4.491 -8.264 -2.521 109 HG3 GLN 13 3HG GLN 13 -4.066 -9.288 -1.149 110 HE21 GLN 13 1HE2 GLN 13 -7.307 -7.946 -1.757 111 HE22 GLN 13 2HE2 GLN 13 -8.054 -9.465 -2.084 112 H VAL 14 H VAL 14 -4.873 -4.684 -1.709 113 HA VAL 14 HA VAL 14 -3.670 -4.958 -4.223 114 HB VAL 14 HB VAL 14 -4.878 -2.455 -2.931 115 HG11 VAL 14 1HG1 VAL 14 -5.093 -1.529 -5.224 116 HG12 VAL 14 2HG1 VAL 14 -4.199 -2.909 -5.868 117 HG13 VAL 14 3HG1 VAL 14 -3.403 -1.773 -4.779 118 HG21 VAL 14 1HG2 VAL 14 -6.483 -4.312 -3.167 119 HG22 VAL 14 2HG2 VAL 14 -6.104 -4.449 -4.885 120 HG23 VAL 14 3HG2 VAL 14 -6.888 -2.993 -4.266 121 H ALA 15 H ALA 15 -2.799 -2.961 -1.424 122 HA ALA 15 HA ALA 15 -0.667 -1.497 -2.515 123 HB1 ALA 15 1HB ALA 15 -0.050 -1.032 -0.199 124 HB2 ALA 15 2HB ALA 15 -1.085 -2.350 0.364 125 HB3 ALA 15 3HB ALA 15 -1.797 -0.933 -0.411 126 H LYS 16 H LYS 16 -0.609 -4.482 -0.549 127 HA LYS 16 HA LYS 16 2.192 -4.807 -0.574 128 HB2 LYS 16 2HB LYS 16 1.854 -7.011 0.375 129 HB3 LYS 16 3HB LYS 16 0.724 -5.888 1.106 130 HG2 LYS 16 2HG LYS 16 -1.088 -6.796 -0.261 131 HG3 LYS 16 3HG LYS 16 0.034 -7.903 -1.044 132 HD2 LYS 16 2HD LYS 16 -0.514 -7.907 1.955 133 HD3 LYS 16 3HD LYS 16 -1.377 -8.930 0.804 134 HE2 LYS 16 2HE LYS 16 1.630 -8.973 1.231 135 HE3 LYS 16 3HE LYS 16 0.494 -10.112 1.952 136 HZ1 LYS 16 1HZ LYS 16 1.526 -11.001 -0.042 137 HZ2 LYS 16 2HZ LYS 16 0.902 -9.732 -0.972 138 HZ3 LYS 16 3HZ LYS 16 -0.142 -10.840 -0.243 139 H GLU 17 H GLU 17 -0.355 -6.036 -2.722 140 HA GLU 17 HA GLU 17 1.308 -7.718 -4.284 141 HB2 GLU 17 2HB GLU 17 -1.337 -6.397 -5.023 142 HB3 GLU 17 3HB GLU 17 -0.515 -7.594 -6.019 143 HG2 GLU 17 2HG GLU 17 -1.753 -8.003 -3.296 144 HG3 GLU 17 3HG GLU 17 -2.259 -8.700 -4.822 145 H LYS 18 H LYS 18 0.381 -4.300 -4.583 146 HA LYS 18 HA LYS 18 1.520 -3.791 -7.132 147 HB2 LYS 18 2HB LYS 18 0.902 -1.896 -4.829 148 HB3 LYS 18 3HB LYS 18 1.495 -1.345 -6.389 149 HG2 LYS 18 2HG LYS 18 -1.133 -2.760 -5.880 150 HG3 LYS 18 3HG LYS 18 -0.919 -1.045 -6.220 151 HD2 LYS 18 2HD LYS 18 -0.017 -1.645 -8.475 152 HD3 LYS 18 3HD LYS 18 -0.323 -3.347 -8.118 153 HE2 LYS 18 2HE LYS 18 -2.747 -2.868 -7.917 154 HE3 LYS 18 3HE LYS 18 -2.437 -1.165 -8.274 155 HZ1 LYS 18 1HZ LYS 18 -1.854 -3.438 -10.093 156 HZ2 LYS 18 2HZ LYS 18 -1.591 -1.804 -10.438 157 HZ3 LYS 18 3HZ LYS 18 -3.166 -2.386 -10.231 158 H LEU 19 H LEU 19 2.824 -3.672 -3.865 159 HA LEU 19 HA LEU 19 5.426 -2.679 -4.596 160 HB2 LEU 19 2HB LEU 19 4.345 -3.985 -2.076 161 HB3 LEU 19 3HB LEU 19 6.006 -3.432 -2.224 162 HG LEU 19 HG LEU 19 3.518 -1.688 -2.361 163 HD11 LEU 19 1HD1 LEU 19 4.078 -2.382 -0.084 164 HD12 LEU 19 2HD1 LEU 19 4.376 -0.661 -0.302 165 HD13 LEU 19 3HD1 LEU 19 5.730 -1.795 -0.288 166 HD21 LEU 19 1HD2 LEU 19 5.065 0.236 -2.532 167 HD22 LEU 19 2HD2 LEU 19 5.169 -0.822 -3.935 168 HD23 LEU 19 3HD2 LEU 19 6.427 -0.877 -2.696 169 H LEU 20 H LEU 20 3.976 -5.850 -4.270 170 HA LEU 20 HA LEU 20 6.387 -7.374 -4.563 171 HB2 LEU 20 2HB LEU 20 3.447 -8.086 -4.842 172 HB3 LEU 20 3HB LEU 20 4.722 -9.270 -5.096 173 HG LEU 20 HG LEU 20 4.379 -7.736 -2.485 174 HD11 LEU 20 1HD1 LEU 20 2.374 -9.091 -2.854 175 HD12 LEU 20 2HD1 LEU 20 3.338 -9.734 -1.528 176 HD13 LEU 20 3HD1 LEU 20 3.371 -10.528 -3.105 177 HD21 LEU 20 1HD2 LEU 20 6.003 -10.216 -3.127 178 HD22 LEU 20 2HD2 LEU 20 5.847 -9.461 -1.537 179 HD23 LEU 20 3HD2 LEU 20 6.640 -8.593 -2.847 180 H GLU 21 H GLU 21 4.105 -5.901 -6.829 181 HA GLU 21 HA GLU 21 4.845 -7.159 -9.250 182 HB2 GLU 21 2HB GLU 21 4.147 -4.196 -8.910 183 HB3 GLU 21 3HB GLU 21 4.087 -5.101 -10.416 184 HG2 GLU 21 2HG GLU 21 2.284 -5.434 -8.019 185 HG3 GLU 21 3HG GLU 21 1.859 -4.693 -9.549 186 H GLN 22 H GLN 22 6.318 -4.630 -7.363 187 HA GLN 22 HA GLN 22 8.363 -3.953 -9.346 188 HB2 GLN 22 2HB GLN 22 7.811 -2.801 -6.576 189 HB3 GLN 22 3HB GLN 22 8.904 -2.123 -7.783 190 HG2 GLN 22 2HG GLN 22 7.031 -1.604 -9.263 191 HG3 GLN 22 3HG GLN 22 5.907 -2.422 -8.172 192 HE21 GLN 22 1HE2 GLN 22 5.355 -1.407 -6.199 193 HE22 GLN 22 2HE2 GLN 22 5.620 0.279 -5.934 194 H SER 23 H SER 23 8.020 -5.717 -6.324 195 HA SER 23 HA SER 23 10.781 -6.632 -6.433 196 HB2 SER 23 2HB SER 23 10.803 -4.508 -5.068 197 HB3 SER 23 3HB SER 23 9.737 -5.291 -3.901 198 HG SER 23 HG SER 23 11.557 -5.923 -3.056 199 HA PRO 24 HA PRO 24 7.918 -10.064 -5.130 200 HB2 PRO 24 2HB PRO 24 9.025 -12.009 -6.696 201 HB3 PRO 24 3HB PRO 24 7.887 -10.811 -7.341 202 HG2 PRO 24 2HG PRO 24 10.882 -10.833 -7.513 203 HG3 PRO 24 3HG PRO 24 9.686 -10.479 -8.782 204 HD2 PRO 24 2HD PRO 24 11.001 -8.516 -7.407 205 HD3 PRO 24 3HD PRO 24 9.362 -8.304 -8.060 206 H ASN 25 H ASN 25 11.367 -9.682 -5.081 207 HA ASN 25 HA ASN 25 12.009 -12.111 -3.661 208 HB2 ASN 25 2HB ASN 25 13.692 -9.638 -4.233 209 HB3 ASN 25 3HB ASN 25 14.307 -11.148 -3.567 210 HD21 ASN 25 1HD2 ASN 25 12.747 -12.905 -5.280 211 HD22 ASN 25 2HD2 ASN 25 13.406 -12.759 -6.867 212 H SER 26 H SER 26 10.813 -9.070 -2.739 213 HA SER 26 HA SER 26 11.723 -9.326 0.064 214 HB2 SER 26 2HB SER 26 10.868 -6.968 0.268 215 HB3 SER 26 3HB SER 26 12.158 -7.140 -0.924 216 HG SER 26 HG SER 26 9.472 -7.346 -1.750 217 H LYS 27 H LYS 27 10.270 -9.937 1.597 218 HA LYS 27 HA LYS 27 7.469 -10.316 1.097 219 HB2 LYS 27 2HB LYS 27 8.690 -11.679 2.757 220 HB3 LYS 27 3HB LYS 27 9.054 -10.240 3.707 221 HG2 LYS 27 2HG LYS 27 6.635 -9.915 4.140 222 HG3 LYS 27 3HG LYS 27 6.269 -11.360 3.193 223 HD2 LYS 27 2HD LYS 27 7.862 -11.252 5.786 224 HD3 LYS 27 3HD LYS 27 6.217 -11.861 5.602 225 HE2 LYS 27 2HE LYS 27 8.733 -13.064 4.400 226 HE3 LYS 27 3HE LYS 27 7.785 -13.722 5.730 227 HZ1 LYS 27 1HZ LYS 27 5.941 -14.045 4.236 228 HZ2 LYS 27 2HZ LYS 27 7.309 -14.835 3.641 229 HZ3 LYS 27 3HZ LYS 27 6.810 -13.377 2.949 230 H VAL 28 H VAL 28 5.925 -8.775 1.231 231 HA VAL 28 HA VAL 28 6.621 -6.107 2.289 232 HB VAL 28 HB VAL 28 4.283 -6.907 0.480 233 HG11 VAL 28 1HG1 VAL 28 5.288 -4.161 1.337 234 HG12 VAL 28 2HG1 VAL 28 3.774 -4.923 1.830 235 HG13 VAL 28 3HG1 VAL 28 4.016 -4.458 0.148 236 HG21 VAL 28 1HG2 VAL 28 6.468 -7.166 -0.664 237 HG22 VAL 28 2HG2 VAL 28 6.896 -5.507 -0.246 238 HG23 VAL 28 3HG2 VAL 28 5.552 -5.822 -1.348 239 H GLN 29 H GLN 29 6.024 -5.786 4.299 240 HA GLN 29 HA GLN 29 3.757 -7.177 5.564 241 HB2 GLN 29 2HB GLN 29 6.114 -5.591 6.707 242 HB3 GLN 29 3HB GLN 29 4.856 -6.326 7.691 243 HG2 GLN 29 2HG GLN 29 6.751 -7.840 5.878 244 HG3 GLN 29 3HG GLN 29 6.956 -7.640 7.619 245 HE21 GLN 29 1HE2 GLN 29 5.520 -8.725 9.017 246 HE22 GLN 29 2HE2 GLN 29 4.573 -10.072 8.494 247 H VAL 30 H VAL 30 1.867 -6.011 5.774 248 HA VAL 30 HA VAL 30 1.654 -3.217 5.288 249 HB VAL 30 HB VAL 30 -0.337 -4.538 4.942 250 HG11 VAL 30 1HG1 VAL 30 -1.586 -5.691 6.735 251 HG12 VAL 30 2HG1 VAL 30 -0.315 -5.287 7.890 252 HG13 VAL 30 3HG1 VAL 30 0.034 -6.366 6.540 253 HG21 VAL 30 1HG2 VAL 30 -0.697 -2.205 5.648 254 HG22 VAL 30 2HG2 VAL 30 -0.744 -2.698 7.341 255 HG23 VAL 30 3HG2 VAL 30 -2.006 -3.227 6.234 256 H ARG 31 H ARG 31 2.301 -1.613 6.558 257 HA ARG 31 HA ARG 31 3.148 -2.206 9.319 258 HB2 ARG 31 2HB ARG 31 4.661 -1.174 7.390 259 HB3 ARG 31 3HB ARG 31 3.871 0.335 7.824 260 HG2 ARG 31 2HG ARG 31 5.982 0.192 8.996 261 HG3 ARG 31 3HG ARG 31 4.678 0.039 10.175 262 HD2 ARG 31 2HD ARG 31 4.968 -2.452 10.109 263 HD3 ARG 31 3HD ARG 31 6.345 -2.235 9.024 264 HE ARG 31 HE ARG 31 6.912 -0.703 11.229 265 HH11 ARG 31 1HH1 ARG 31 6.263 -4.113 10.675 266 HH12 ARG 31 2HH1 ARG 31 7.237 -4.640 12.010 267 HH21 ARG 31 1HH2 ARG 31 8.179 -1.403 12.984 268 HH22 ARG 31 2HH2 ARG 31 8.324 -3.099 13.325 269 H ARG 32 H ARG 32 1.240 0.159 7.460 270 HA ARG 32 HA ARG 32 -0.467 0.700 9.755 271 HB2 ARG 32 2HB ARG 32 1.425 2.309 10.004 272 HB3 ARG 32 3HB ARG 32 1.124 2.918 8.385 273 HG2 ARG 32 2HG ARG 32 -1.112 3.745 9.137 274 HG3 ARG 32 3HG ARG 32 -0.753 3.171 10.767 275 HD2 ARG 32 2HD ARG 32 1.235 4.687 10.819 276 HD3 ARG 32 3HD ARG 32 0.772 5.298 9.231 277 HE ARG 32 HE ARG 32 -1.204 5.565 11.373 278 HH11 ARG 32 1HH1 ARG 32 1.319 7.091 9.446 279 HH12 ARG 32 2HH1 ARG 32 0.836 8.708 9.868 280 HH21 ARG 32 1HH2 ARG 32 -1.769 7.682 11.986 281 HH22 ARG 32 2HH2 ARG 32 -0.922 9.042 11.314 282 H VAL 33 H VAL 33 -2.504 1.315 9.129 283 HA VAL 33 HA VAL 33 -3.079 1.837 6.255 284 HB VAL 33 HB VAL 33 -4.987 0.715 8.390 285 HG11 VAL 33 1HG1 VAL 33 -6.523 0.259 6.493 286 HG12 VAL 33 2HG1 VAL 33 -5.394 1.048 5.388 287 HG13 VAL 33 3HG1 VAL 33 -6.184 1.983 6.659 288 HG21 VAL 33 1HG2 VAL 33 -4.805 -1.448 7.210 289 HG22 VAL 33 2HG2 VAL 33 -3.240 -0.927 7.834 290 HG23 VAL 33 3HG2 VAL 33 -3.604 -0.758 6.115 291 H GLN 34 H GLN 34 -3.365 4.055 5.985 292 HA GLN 34 HA GLN 34 -4.719 5.550 8.173 293 HB2 GLN 34 2HB GLN 34 -2.284 5.953 8.197 294 HB3 GLN 34 3HB GLN 34 -2.329 6.441 6.507 295 HG2 GLN 34 2HG GLN 34 -2.175 8.350 8.080 296 HG3 GLN 34 3HG GLN 34 -3.598 8.424 7.041 297 HE21 GLN 34 1HE2 GLN 34 -5.632 8.257 7.972 298 HE22 GLN 34 2HE2 GLN 34 -5.902 8.292 9.674 299 H LYS 35 H LYS 35 -6.588 6.339 7.502 300 HA LYS 35 HA LYS 35 -7.317 6.674 4.727 301 HB2 LYS 35 2HB LYS 35 -8.940 5.887 6.423 302 HB3 LYS 35 3HB LYS 35 -8.765 7.388 7.321 303 HG2 LYS 35 2HG LYS 35 -10.831 7.544 6.141 304 HG3 LYS 35 3HG LYS 35 -9.705 8.606 5.295 305 HD2 LYS 35 2HD LYS 35 -10.922 7.407 3.606 306 HD3 LYS 35 3HD LYS 35 -9.302 6.709 3.649 307 HE2 LYS 35 2HE LYS 35 -10.926 4.914 3.479 308 HE3 LYS 35 3HE LYS 35 -10.197 4.849 5.084 309 HZ1 LYS 35 1HZ LYS 35 -12.602 4.547 5.124 310 HZ2 LYS 35 2HZ LYS 35 -12.813 6.075 4.435 311 HZ3 LYS 35 3HZ LYS 35 -12.141 5.936 5.980 312 H GLN 36 H GLN 36 -7.238 8.521 3.559 313 HA GLN 36 HA GLN 36 -7.212 11.178 4.886 314 HB2 GLN 36 2HB GLN 36 -5.679 10.410 2.353 315 HB3 GLN 36 3HB GLN 36 -5.817 12.046 2.994 316 HG2 GLN 36 2HG GLN 36 -4.473 9.708 4.392 317 HG3 GLN 36 3HG GLN 36 -3.640 11.011 3.550 318 HE21 GLN 36 1HE2 GLN 36 -3.578 10.116 6.389 319 HE22 GLN 36 2HE2 GLN 36 -3.916 11.528 7.316 320 H GLY 37 H GLY 37 -9.480 11.201 4.695 321 HA2 GLY 37 2HA GLY 37 -11.476 11.794 3.711 322 HA3 GLY 37 3HA GLY 37 -10.605 12.105 2.215 323 H ASN 38 H ASN 38 -10.480 10.511 0.651 324 HA ASN 38 HA ASN 38 -11.797 7.884 1.164 325 HB2 ASN 38 2HB ASN 38 -11.793 9.580 -1.370 326 HB3 ASN 38 3HB ASN 38 -12.244 7.878 -1.368 327 HD21 ASN 38 1HD2 ASN 38 -14.328 8.270 -2.034 328 HD22 ASN 38 2HD2 ASN 38 -15.530 9.009 -1.034 329 H THR 39 H THR 39 -8.910 9.475 0.393 330 HA THR 39 HA THR 39 -7.683 7.266 -1.072 331 HB THR 39 HB THR 39 -6.444 9.904 -0.174 332 HG1 THR 39 HG1 THR 39 -8.317 9.459 -2.060 333 HG21 THR 39 1HG2 THR 39 -4.804 9.476 -2.006 334 HG22 THR 39 2HG2 THR 39 -5.570 7.921 -2.330 335 HG23 THR 39 3HG2 THR 39 -4.753 8.199 -0.790 336 H ILE 40 H ILE 40 -7.388 5.594 0.402 337 HA ILE 40 HA ILE 40 -6.232 6.008 3.008 338 HB ILE 40 HB ILE 40 -6.464 3.377 1.452 339 HG12 ILE 40 2HG1 ILE 40 -8.393 4.641 3.459 340 HG13 ILE 40 3HG1 ILE 40 -8.694 4.409 1.740 341 HG21 ILE 40 1HG2 ILE 40 -6.058 3.910 4.433 342 HG22 ILE 40 2HG2 ILE 40 -4.830 3.309 3.316 343 HG23 ILE 40 3HG2 ILE 40 -6.239 2.318 3.688 344 HD11 ILE 40 1HD1 ILE 40 -8.363 2.224 3.799 345 HD12 ILE 40 2HD1 ILE 40 -8.676 1.983 2.081 346 HD13 ILE 40 3HD1 ILE 40 -9.877 2.780 3.089 347 H ARG 41 H ARG 41 -4.220 6.833 2.982 348 HA ARG 41 HA ARG 41 -2.095 5.785 1.290 349 HB2 ARG 41 2HB ARG 41 -1.985 7.702 3.669 350 HB3 ARG 41 3HB ARG 41 -0.639 7.326 2.591 351 HG2 ARG 41 2HG ARG 41 -1.908 8.310 0.692 352 HG3 ARG 41 3HG ARG 41 -3.218 8.722 1.804 353 HD2 ARG 41 2HD ARG 41 -1.778 10.664 1.354 354 HD3 ARG 41 3HD ARG 41 -1.716 10.205 3.058 355 HE ARG 41 HE ARG 41 0.386 9.362 1.152 356 HH11 ARG 41 1HH1 ARG 41 -0.474 11.067 4.115 357 HH12 ARG 41 2HH1 ARG 41 1.178 11.296 4.589 358 HH21 ARG 41 1HH2 ARG 41 2.533 9.629 1.848 359 HH22 ARG 41 2HH2 ARG 41 2.862 10.484 3.317 360 H VAL 42 H VAL 42 -1.985 3.645 1.795 361 HA VAL 42 HA VAL 42 -1.534 2.702 4.525 362 HB VAL 42 HB VAL 42 -1.014 0.431 3.230 363 HG11 VAL 42 1HG1 VAL 42 -3.390 -0.167 3.173 364 HG12 VAL 42 2HG1 VAL 42 -3.843 1.540 3.268 365 HG13 VAL 42 3HG1 VAL 42 -3.014 0.772 4.623 366 HG21 VAL 42 1HG2 VAL 42 -0.843 1.368 0.979 367 HG22 VAL 42 2HG2 VAL 42 -2.494 1.980 1.073 368 HG23 VAL 42 3HG2 VAL 42 -2.196 0.240 1.057 369 H GLU 43 H GLU 43 0.361 2.780 5.411 370 HA GLU 43 HA GLU 43 2.871 2.931 3.913 371 HB2 GLU 43 2HB GLU 43 2.254 2.973 6.902 372 HB3 GLU 43 3HB GLU 43 3.876 3.082 6.227 373 HG2 GLU 43 2HG GLU 43 3.202 5.168 5.032 374 HG3 GLU 43 3HG GLU 43 1.623 5.054 5.805 375 H LEU 44 H LEU 44 4.139 1.171 3.554 376 HA LEU 44 HA LEU 44 3.675 -1.300 5.114 377 HB2 LEU 44 2HB LEU 44 4.157 -1.310 2.097 378 HB3 LEU 44 3HB LEU 44 3.914 -2.700 3.139 379 HG LEU 44 HG LEU 44 1.550 -1.502 3.634 380 HD11 LEU 44 1HD1 LEU 44 1.982 0.495 2.310 381 HD12 LEU 44 2HD1 LEU 44 0.627 -0.411 1.647 382 HD13 LEU 44 3HD1 LEU 44 2.205 -0.483 0.857 383 HD21 LEU 44 1HD2 LEU 44 2.050 -3.107 1.115 384 HD22 LEU 44 2HD2 LEU 44 0.496 -2.886 1.925 385 HD23 LEU 44 3HD2 LEU 44 1.793 -3.764 2.732 386 H GLU 45 H GLU 45 5.464 -2.881 4.643 387 HA GLU 45 HA GLU 45 8.080 -1.541 4.951 388 HB2 GLU 45 2HB GLU 45 7.179 -2.361 7.088 389 HB3 GLU 45 3HB GLU 45 6.880 -3.953 6.400 390 HG2 GLU 45 2HG GLU 45 9.386 -4.149 6.034 391 HG3 GLU 45 3HG GLU 45 9.570 -2.661 6.958 392 H LEU 46 H LEU 46 9.438 -2.160 3.385 393 HA LEU 46 HA LEU 46 9.245 -4.842 2.152 394 HB2 LEU 46 2HB LEU 46 8.064 -3.102 0.786 395 HB3 LEU 46 3HB LEU 46 9.539 -2.188 0.688 396 HG LEU 46 HG LEU 46 9.352 -4.988 -0.481 397 HD11 LEU 46 1HD1 LEU 46 8.828 -3.979 -2.667 398 HD12 LEU 46 2HD1 LEU 46 8.686 -2.389 -1.910 399 HD13 LEU 46 3HD1 LEU 46 7.548 -3.671 -1.495 400 HD21 LEU 46 1HD2 LEU 46 11.163 -4.219 -1.960 401 HD22 LEU 46 2HD2 LEU 46 11.628 -4.085 -0.268 402 HD23 LEU 46 3HD2 LEU 46 11.159 -2.640 -1.167 403 H ARG 47 H ARG 47 11.198 -5.772 2.018 404 HA ARG 47 HA ARG 47 13.545 -4.274 2.996 405 HB2 ARG 47 2HB ARG 47 12.839 -7.231 2.979 406 HB3 ARG 47 3HB ARG 47 14.461 -6.657 3.357 407 HG2 ARG 47 2HG ARG 47 13.747 -5.582 5.356 408 HG3 ARG 47 3HG ARG 47 12.042 -5.683 4.908 409 HD2 ARG 47 2HD ARG 47 12.799 -7.315 6.701 410 HD3 ARG 47 3HD ARG 47 11.967 -8.038 5.324 411 HE ARG 47 HE ARG 47 14.891 -8.007 5.233 412 HH11 ARG 47 1HH1 ARG 47 12.012 -9.911 5.978 413 HH12 ARG 47 2HH1 ARG 47 12.855 -11.422 5.874 414 HH21 ARG 47 1HH2 ARG 47 15.947 -10.013 5.041 415 HH22 ARG 47 2HH2 ARG 47 15.073 -11.483 5.344 416 H THR 48 H THR 48 14.565 -3.385 1.285 417 HA THR 48 HA THR 48 15.042 -4.952 -1.179 418 HB THR 48 HB THR 48 15.765 -2.006 -0.810 419 HG1 THR 48 HG1 THR 48 13.665 -1.892 -0.288 420 HG21 THR 48 1HG2 THR 48 15.360 -1.895 -3.244 421 HG22 THR 48 2HG2 THR 48 14.879 -3.592 -3.257 422 HG23 THR 48 3HG2 THR 48 16.544 -3.150 -2.875 423 H ASN 49 H ASN 49 17.006 -5.959 -1.306 424 HA ASN 49 HA ASN 49 19.223 -6.447 -1.189 425 HB2 ASN 49 2HB ASN 49 19.521 -3.435 -0.793 426 HB3 ASN 49 3HB ASN 49 20.865 -4.539 -1.083 427 HD21 ASN 49 1HD2 ASN 49 21.482 -3.599 -3.019 428 HD22 ASN 49 2HD2 ASN 49 20.531 -3.667 -4.458 429 H GLY 50 H GLY 50 17.554 -6.415 1.271 430 HA2 GLY 50 2HA GLY 50 18.072 -7.408 3.343 431 HA3 GLY 50 3HA GLY 50 19.689 -6.727 3.269 432 H LYS 51 H LYS 51 18.315 -4.106 2.449 433 HA LYS 51 HA LYS 51 18.103 -2.993 5.126 434 HB2 LYS 51 2HB LYS 51 17.898 -1.668 2.389 435 HB3 LYS 51 3HB LYS 51 18.036 -0.827 3.927 436 HG2 LYS 51 2HG LYS 51 20.161 -2.675 2.805 437 HG3 LYS 51 3HG LYS 51 20.150 -0.924 2.596 438 HD2 LYS 51 2HD LYS 51 20.261 -0.642 5.068 439 HD3 LYS 51 3HD LYS 51 20.326 -2.398 5.254 440 HE2 LYS 51 2HE LYS 51 22.452 -2.467 4.022 441 HE3 LYS 51 3HE LYS 51 22.378 -0.722 3.761 442 HZ1 LYS 51 1HZ LYS 51 23.841 -1.319 5.595 443 HZ2 LYS 51 2HZ LYS 51 22.558 -2.052 6.413 444 HZ3 LYS 51 3HZ LYS 51 22.541 -0.386 6.136 445 H LYS 52 H LYS 52 16.258 -1.542 5.685 446 HA LYS 52 HA LYS 52 13.693 -2.695 4.736 447 HB2 LYS 52 2HB LYS 52 14.208 -3.352 7.013 448 HB3 LYS 52 3HB LYS 52 14.549 -1.688 7.482 449 HG2 LYS 52 2HG LYS 52 12.203 -1.077 7.214 450 HG3 LYS 52 3HG LYS 52 11.813 -2.684 6.596 451 HD2 LYS 52 2HD LYS 52 12.844 -2.088 9.400 452 HD3 LYS 52 3HD LYS 52 11.157 -2.387 8.975 453 HE2 LYS 52 2HE LYS 52 11.895 -4.647 8.076 454 HE3 LYS 52 3HE LYS 52 13.472 -4.335 8.807 455 HZ1 LYS 52 1HZ LYS 52 10.866 -4.516 10.205 456 HZ2 LYS 52 2HZ LYS 52 12.320 -4.086 10.957 457 HZ3 LYS 52 3HZ LYS 52 12.139 -5.626 10.285 458 H GLU 53 H GLU 53 12.819 -1.277 3.364 459 HA GLU 53 HA GLU 53 12.819 1.628 3.934 460 HB2 GLU 53 2HB GLU 53 12.386 0.073 1.345 461 HB3 GLU 53 3HB GLU 53 12.037 1.793 1.493 462 HG2 GLU 53 2HG GLU 53 14.177 1.485 0.428 463 HG3 GLU 53 3HG GLU 53 14.392 2.241 2.001 464 H ASN 54 H ASN 54 10.901 2.743 4.122 465 HA ASN 54 HA ASN 54 8.365 1.247 4.309 466 HB2 ASN 54 2HB ASN 54 9.073 4.137 5.032 467 HB3 ASN 54 3HB ASN 54 7.473 3.422 5.239 468 HD21 ASN 54 1HD2 ASN 54 7.130 1.983 6.953 469 HD22 ASN 54 2HD2 ASN 54 8.283 1.752 8.217 470 H TYR 55 H TYR 55 6.810 1.396 2.723 471 HA TYR 55 HA TYR 55 7.110 3.442 0.577 472 HB2 TYR 55 2HB TYR 55 6.095 0.571 0.345 473 HB3 TYR 55 3HB TYR 55 5.985 1.770 -0.941 474 HD1 TYR 55 HD1 TYR 55 7.712 1.847 -2.549 475 HD2 TYR 55 HD2 TYR 55 8.543 0.123 1.265 476 HE1 TYR 55 HE1 TYR 55 9.935 1.141 -3.345 477 HE2 TYR 55 HE2 TYR 55 10.740 -0.584 0.473 478 HH TYR 55 HH TYR 55 11.908 -1.064 -1.586 479 H THR 56 H THR 56 5.514 4.842 0.640 480 HA THR 56 HA THR 56 2.914 4.304 1.810 481 HB THR 56 HB THR 56 3.928 6.803 0.372 482 HG1 THR 56 HG1 THR 56 3.914 6.259 3.175 483 HG21 THR 56 1HG2 THR 56 1.641 6.455 2.359 484 HG22 THR 56 2HG2 THR 56 1.459 6.706 0.622 485 HG23 THR 56 3HG2 THR 56 2.159 7.974 1.626 486 H VAL 57 H VAL 57 1.755 2.950 0.475 487 HA VAL 57 HA VAL 57 1.417 3.590 -2.381 488 HB VAL 57 HB VAL 57 0.154 1.322 -0.752 489 HG11 VAL 57 1HG1 VAL 57 -0.372 0.297 -2.935 490 HG12 VAL 57 2HG1 VAL 57 0.318 1.686 -3.774 491 HG13 VAL 57 3HG1 VAL 57 -1.130 1.883 -2.789 492 HG21 VAL 57 1HG2 VAL 57 2.604 1.093 -0.800 493 HG22 VAL 57 2HG2 VAL 57 2.599 1.219 -2.560 494 HG23 VAL 57 3HG2 VAL 57 1.837 -0.165 -1.771 495 H GLU 58 H GLU 58 0.106 5.303 -2.643 496 HA GLU 58 HA GLU 58 -2.089 5.881 -0.786 497 HB2 GLU 58 2HB GLU 58 -1.176 7.439 -3.249 498 HB3 GLU 58 3HB GLU 58 -2.196 8.031 -1.934 499 HG2 GLU 58 2HG GLU 58 -0.324 7.872 -0.357 500 HG3 GLU 58 3HG GLU 58 0.702 7.165 -1.601 501 H VAL 59 H VAL 59 -3.739 4.487 -1.189 502 HA VAL 59 HA VAL 59 -4.692 4.027 -3.954 503 HB VAL 59 HB VAL 59 -5.490 2.508 -1.407 504 HG11 VAL 59 1HG1 VAL 59 -5.871 1.824 -4.350 505 HG12 VAL 59 2HG1 VAL 59 -7.129 2.358 -3.233 506 HG13 VAL 59 3HG1 VAL 59 -6.338 0.803 -2.984 507 HG21 VAL 59 1HG2 VAL 59 -3.961 0.701 -2.131 508 HG22 VAL 59 2HG2 VAL 59 -3.077 2.193 -1.810 509 HG23 VAL 59 3HG2 VAL 59 -3.398 1.706 -3.473 510 H GLU 60 H GLU 60 -6.412 5.196 -4.559 511 HA GLU 60 HA GLU 60 -8.101 6.595 -2.587 512 HB2 GLU 60 2HB GLU 60 -6.931 7.968 -4.276 513 HB3 GLU 60 3HB GLU 60 -7.655 7.026 -5.576 514 HG2 GLU 60 2HG GLU 60 -9.934 7.847 -4.690 515 HG3 GLU 60 3HG GLU 60 -9.022 8.982 -3.697 516 H ARG 61 H ARG 61 -10.323 6.387 -2.620 517 HA ARG 61 HA ARG 61 -11.522 4.091 -3.846 518 HB2 ARG 61 2HB ARG 61 -12.302 4.944 -1.642 519 HB3 ARG 61 3HB ARG 61 -12.806 6.459 -2.388 520 HG2 ARG 61 2HG ARG 61 -14.740 5.039 -2.001 521 HG3 ARG 61 3HG ARG 61 -14.481 5.240 -3.734 522 HD2 ARG 61 2HD ARG 61 -14.784 2.976 -3.753 523 HD3 ARG 61 3HD ARG 61 -13.074 2.934 -3.332 524 HE ARG 61 HE ARG 61 -14.266 3.040 -0.915 525 HH11 ARG 61 1HH1 ARG 61 -14.733 0.951 -3.698 526 HH12 ARG 61 2HH1 ARG 61 -15.246 -0.403 -2.750 527 HH21 ARG 61 1HH2 ARG 61 -14.937 1.261 0.310 528 HH22 ARG 61 2HH2 ARG 61 -15.366 -0.227 -0.476 529 H GLN 62 H GLN 62 -12.840 3.991 -5.611 530 HA GLN 62 HA GLN 62 -13.724 6.411 -7.011 531 HB2 GLN 62 2HB GLN 62 -11.555 5.706 -8.054 532 HB3 GLN 62 3HB GLN 62 -12.243 4.121 -8.397 533 HG2 GLN 62 2HG GLN 62 -13.890 5.141 -9.903 534 HG3 GLN 62 3HG GLN 62 -13.280 6.750 -9.509 535 HE21 GLN 62 1HE2 GLN 62 -12.789 7.165 -11.690 536 HE22 GLN 62 2HE2 GLN 62 -11.435 6.443 -12.477 537 H GLY 63 H GLY 63 -15.735 5.849 -6.112 538 HA2 GLY 63 2HA GLY 63 -17.840 4.961 -6.133 539 HA3 GLY 63 3HA GLY 63 -17.403 4.092 -7.598 540 H ASN 64 H ASN 64 -16.995 1.929 -7.471 541 HA ASN 64 HA ASN 64 -17.197 0.607 -4.826 542 HB2 ASN 64 2HB ASN 64 -17.587 -0.561 -7.614 543 HB3 ASN 64 3HB ASN 64 -17.768 -1.452 -6.108 544 HD21 ASN 64 1HD2 ASN 64 -19.712 -1.091 -8.185 545 HD22 ASN 64 2HD2 ASN 64 -21.064 -0.281 -7.480 546 H THR 65 H THR 65 -14.945 1.287 -7.352 547 HA THR 65 HA THR 65 -13.182 -0.973 -6.624 548 HB THR 65 HB THR 65 -13.691 -0.652 -9.046 549 HG1 THR 65 HG1 THR 65 -11.801 -1.677 -8.656 550 HG21 THR 65 1HG2 THR 65 -12.092 1.929 -8.809 551 HG22 THR 65 2HG2 THR 65 -13.813 1.815 -9.182 552 HG23 THR 65 3HG2 THR 65 -12.621 1.178 -10.315 553 H TRP 66 H TRP 66 -10.766 -0.363 -6.780 554 HA TRP 66 HA TRP 66 -10.179 2.137 -5.302 555 HB2 TRP 66 2HB TRP 66 -9.047 -0.673 -4.902 556 HB3 TRP 66 3HB TRP 66 -8.316 0.768 -4.210 557 HD1 TRP 66 HD1 TRP 66 -11.124 -1.712 -3.600 558 HE1 TRP 66 HE1 TRP 66 -12.337 -1.101 -1.419 559 HE3 TRP 66 HE3 TRP 66 -9.024 2.893 -2.728 560 HZ2 TRP 66 HZ2 TRP 66 -12.412 1.035 0.399 561 HZ3 TRP 66 HZ3 TRP 66 -9.735 4.151 -0.731 562 HH2 TRP 66 HH2 TRP 66 -11.399 3.232 0.805 563 H THR 67 H THR 67 -8.873 3.412 -6.462 564 HA THR 67 HA THR 67 -7.081 2.276 -8.525 565 HB THR 67 HB THR 67 -8.768 3.669 -9.560 566 HG1 THR 67 HG1 THR 67 -6.632 3.884 -10.358 567 HG21 THR 67 1HG2 THR 67 -9.095 6.055 -9.034 568 HG22 THR 67 2HG2 THR 67 -7.937 5.940 -7.709 569 HG23 THR 67 3HG2 THR 67 -9.464 5.059 -7.625 570 H VAL 68 H VAL 68 -4.954 2.345 -8.042 571 HA VAL 68 HA VAL 68 -3.914 3.820 -5.792 572 HB VAL 68 HB VAL 68 -2.370 2.259 -7.930 573 HG11 VAL 68 1HG1 VAL 68 -0.522 2.195 -6.264 574 HG12 VAL 68 2HG1 VAL 68 -1.461 3.230 -5.185 575 HG13 VAL 68 3HG1 VAL 68 -0.911 3.850 -6.742 576 HG21 VAL 68 1HG2 VAL 68 -3.327 1.353 -5.183 577 HG22 VAL 68 2HG2 VAL 68 -2.326 0.406 -6.287 578 HG23 VAL 68 3HG2 VAL 68 -3.979 0.823 -6.736 579 H LYS 69 H LYS 69 -3.325 5.845 -5.821 580 HA LYS 69 HA LYS 69 -3.181 7.479 -8.168 581 HB2 LYS 69 2HB LYS 69 -2.546 8.131 -5.262 582 HB3 LYS 69 3HB LYS 69 -2.750 9.316 -6.543 583 HG2 LYS 69 2HG LYS 69 -4.939 7.441 -5.604 584 HG3 LYS 69 3HG LYS 69 -4.691 9.068 -4.978 585 HD2 LYS 69 2HD LYS 69 -6.351 9.447 -6.556 586 HD3 LYS 69 3HD LYS 69 -4.910 9.800 -7.503 587 HE2 LYS 69 2HE LYS 69 -5.048 7.614 -8.586 588 HE3 LYS 69 3HE LYS 69 -6.398 7.148 -7.544 589 HZ1 LYS 69 1HZ LYS 69 -6.419 9.357 -9.533 590 HZ2 LYS 69 2HZ LYS 69 -7.707 8.943 -8.521 591 HZ3 LYS 69 3HZ LYS 69 -7.178 7.858 -9.708 592 H ARG 70 H ARG 70 -0.855 6.601 -5.606 593 HA ARG 70 HA ARG 70 1.416 6.692 -7.349 594 HB2 ARG 70 2HB ARG 70 1.148 9.087 -7.194 595 HB3 ARG 70 3HB ARG 70 0.881 9.023 -5.457 596 HG2 ARG 70 2HG ARG 70 3.209 8.474 -5.061 597 HG3 ARG 70 3HG ARG 70 3.527 8.351 -6.792 598 HD2 ARG 70 2HD ARG 70 3.311 10.707 -7.101 599 HD3 ARG 70 3HD ARG 70 2.523 10.921 -5.536 600 HE ARG 70 HE ARG 70 4.608 10.567 -4.451 601 HH11 ARG 70 1HH1 ARG 70 4.971 11.007 -7.911 602 HH12 ARG 70 2HH1 ARG 70 6.643 11.439 -7.780 603 HH21 ARG 70 1HH2 ARG 70 6.786 11.030 -4.319 604 HH22 ARG 70 2HH2 ARG 70 7.674 11.448 -5.754 605 H ILE 71 H ILE 71 2.709 5.184 -6.576 606 HA ILE 71 HA ILE 71 2.968 4.611 -3.700 607 HB ILE 71 HB ILE 71 4.356 3.296 -6.100 608 HG12 ILE 71 2HG1 ILE 71 1.965 2.329 -4.452 609 HG13 ILE 71 3HG1 ILE 71 1.916 2.873 -6.126 610 HG21 ILE 71 1HG2 ILE 71 4.293 2.427 -3.173 611 HG22 ILE 71 2HG2 ILE 71 5.689 3.081 -4.030 612 HG23 ILE 71 3HG2 ILE 71 5.029 1.517 -4.498 613 HD11 ILE 71 1HD1 ILE 71 3.293 0.416 -5.075 614 HD12 ILE 71 2HD1 ILE 71 3.346 0.970 -6.751 615 HD13 ILE 71 3HD1 ILE 71 1.812 0.491 -6.028 616 H THR 72 H THR 72 4.662 5.435 -2.537 617 HA THR 72 HA THR 72 7.029 6.534 -3.906 618 HB THR 72 HB THR 72 5.406 8.012 -1.773 619 HG1 THR 72 HG1 THR 72 5.710 8.292 -4.569 620 HG21 THR 72 1HG2 THR 72 7.003 9.874 -2.119 621 HG22 THR 72 2HG2 THR 72 7.957 8.862 -3.204 622 HG23 THR 72 3HG2 THR 72 7.826 8.447 -1.494 623 H ARG 73 H ARG 73 8.781 5.663 -3.023 624 HA ARG 73 HA ARG 73 8.858 4.404 -0.431 625 HB2 ARG 73 2HB ARG 73 10.291 3.704 -2.398 626 HB3 ARG 73 3HB ARG 73 11.160 5.233 -2.278 627 HG2 ARG 73 2HG ARG 73 11.900 4.605 0.016 628 HG3 ARG 73 3HG ARG 73 11.075 3.050 -0.165 629 HD2 ARG 73 2HD ARG 73 13.408 2.699 -0.634 630 HD3 ARG 73 3HD ARG 73 12.544 2.598 -2.166 631 HE ARG 73 HE ARG 73 13.381 4.783 -2.745 632 HH11 ARG 73 1HH1 ARG 73 14.923 3.369 0.084 633 HH12 ARG 73 2HH1 ARG 73 16.337 4.356 -0.039 634 HH21 ARG 73 1HH2 ARG 73 15.240 6.070 -2.905 635 HH22 ARG 73 2HH2 ARG 73 16.522 5.893 -1.742 636 H THR 74 H THR 74 9.733 5.288 1.450 637 HA THR 74 HA THR 74 9.814 8.031 1.986 638 HB THR 74 HB THR 74 9.586 6.327 3.774 639 HG1 THR 74 HG1 THR 74 10.555 8.480 4.159 640 HG21 THR 74 1HG2 THR 74 11.167 4.608 2.939 641 HG22 THR 74 2HG2 THR 74 11.535 5.049 4.605 642 HG23 THR 74 3HG2 THR 74 12.529 5.676 3.289 643 H VAL 75 H VAL 75 11.620 9.497 2.236 644 HA VAL 75 HA VAL 75 13.583 9.304 0.201 645 HB VAL 75 HB VAL 75 13.522 11.229 2.588 646 HG11 VAL 75 1HG1 VAL 75 15.102 11.446 -0.013 647 HG12 VAL 75 2HG1 VAL 75 15.777 11.150 1.588 648 HG13 VAL 75 3HG1 VAL 75 15.010 12.698 1.233 649 HG21 VAL 75 1HG2 VAL 75 12.475 11.606 -0.252 650 HG22 VAL 75 2HG2 VAL 75 12.473 12.839 1.012 651 HG23 VAL 75 3HG2 VAL 75 11.487 11.388 1.195 652 H GLY 76 H GLY 76 14.815 7.541 0.382 653 HA2 GLY 76 2HA GLY 76 16.733 7.304 2.648 654 HA3 GLY 76 3HA GLY 76 16.132 5.945 1.695 655 H SER 77 H SER 77 16.928 9.072 0.461 656 HA SER 77 HA SER 77 19.402 8.259 -0.838 657 HB2 SER 77 2HB SER 77 17.490 7.545 -2.353 658 HB3 SER 77 3HB SER 77 16.956 9.222 -2.415 659 HG SER 77 HG SER 77 18.214 9.113 -4.141 660 H LEU 78 H LEU 78 19.763 10.492 -2.429 661 HA LEU 78 HA LEU 78 20.025 12.702 -0.673 662 HB2 LEU 78 2HB LEU 78 20.724 14.027 -2.559 663 HB3 LEU 78 3HB LEU 78 21.445 12.440 -2.712 664 HG LEU 78 HG LEU 78 18.951 13.226 -4.274 665 HD11 LEU 78 1HD1 LEU 78 20.720 14.829 -4.840 666 HD12 LEU 78 2HD1 LEU 78 20.399 13.743 -6.189 667 HD13 LEU 78 3HD1 LEU 78 21.833 13.502 -5.187 668 HD21 LEU 78 1HD2 LEU 78 19.369 10.810 -4.157 669 HD22 LEU 78 2HD2 LEU 78 21.013 11.044 -4.751 670 HD23 LEU 78 3HD2 LEU 78 19.637 11.404 -5.794 671 H GLU 79 H GLU 79 18.865 14.590 -0.514 672 HA GLU 79 HA GLU 79 16.015 14.399 -0.913 673 HB2 GLU 79 2HB GLU 79 17.646 16.763 0.122 674 HB3 GLU 79 3HB GLU 79 15.902 16.537 0.269 675 HG2 GLU 79 2HG GLU 79 16.390 14.430 1.595 676 HG3 GLU 79 3HG GLU 79 18.081 14.921 1.606 677 H HIS 80 H HIS 80 15.799 14.271 -3.063 678 HA HIS 80 HA HIS 80 16.994 15.707 -5.114 679 HB2 HIS 80 2HB HIS 80 14.913 14.823 -6.455 680 HB3 HIS 80 3HB HIS 80 16.013 13.651 -5.736 681 HD1 HIS 80 HD1 HIS 80 15.102 12.159 -3.876 682 HD2 HIS 80 HD2 HIS 80 12.334 14.994 -5.136 683 HE1 HIS 80 HE1 HIS 80 12.929 11.519 -2.790 684 HE2 HIS 80 HE2 HIS 80 11.265 13.201 -3.617 685 H HIS 81 H HIS 81 16.969 17.935 -4.650 686 HA HIS 81 HA HIS 81 14.447 19.420 -4.724 687 HB2 HIS 81 2HB HIS 81 16.246 20.307 -3.286 688 HB3 HIS 81 3HB HIS 81 17.335 20.412 -4.671 689 HD1 HIS 81 HD1 HIS 81 17.453 22.714 -5.655 690 HD2 HIS 81 HD2 HIS 81 13.771 22.036 -3.852 691 HE1 HIS 81 HE1 HIS 81 16.148 24.828 -5.973 692 HE2 HIS 81 HE2 HIS 81 13.874 24.319 -5.053 693 H HIS 82 H HIS 82 13.489 19.917 -6.574 694 HA HIS 82 HA HIS 82 15.068 20.299 -9.057 695 HB2 HIS 82 2HB HIS 82 13.306 19.323 -10.342 696 HB3 HIS 82 3HB HIS 82 13.550 18.227 -8.992 697 HD1 HIS 82 HD1 HIS 82 10.968 20.110 -10.726 698 HD2 HIS 82 HD2 HIS 82 11.453 18.518 -6.934 699 HE1 HIS 82 HE1 HIS 82 8.662 19.974 -9.764 700 HE2 HIS 82 HE2 HIS 82 8.969 18.931 -7.500 701 H HIS 83 H HIS 83 13.987 21.852 -10.597 702 HA HIS 83 HA HIS 83 13.316 24.258 -9.126 703 HB2 HIS 83 2HB HIS 83 13.398 25.409 -11.315 704 HB3 HIS 83 3HB HIS 83 14.835 24.443 -11.024 705 HD1 HIS 83 HD1 HIS 83 15.504 22.889 -12.855 706 HD2 HIS 83 HD2 HIS 83 11.561 24.125 -13.260 707 HE1 HIS 83 HE1 HIS 83 14.759 22.046 -15.098 708 HE2 HIS 83 HE2 HIS 83 12.435 22.949 -15.384 709 H HIS 84 H HIS 84 11.470 25.545 -9.393 710 HA HIS 84 HA HIS 84 9.020 24.205 -10.413 711 HB2 HIS 84 2HB HIS 84 8.894 24.751 -8.007 712 HB3 HIS 84 3HB HIS 84 9.337 26.426 -8.330 713 HD1 HIS 84 HD1 HIS 84 7.420 28.003 -8.718 714 HD2 HIS 84 HD2 HIS 84 6.258 24.042 -9.169 715 HE1 HIS 84 HE1 HIS 84 4.938 28.062 -9.015 716 HE2 HIS 84 HE2 HIS 84 4.241 25.653 -9.137 717 H HIS 85 H HIS 85 9.190 24.811 -12.559 718 HA HIS 85 HA HIS 85 9.691 27.570 -13.332 719 HB2 HIS 85 2HB HIS 85 10.601 25.641 -14.662 720 HB3 HIS 85 3HB HIS 85 8.957 25.185 -15.098 721 HD1 HIS 85 HD1 HIS 85 11.482 27.949 -15.646 722 HD2 HIS 85 HD2 HIS 85 7.894 26.603 -17.247 723 HE1 HIS 85 HE1 HIS 85 11.172 29.238 -17.768 724 HE2 HIS 85 HE2 HIS 85 9.083 28.311 -18.786 Start of MODEL 15 1 H1 MET 1 1H MET 1 -25.076 -4.817 2.907 2 H2 MET 1 2H MET 1 -23.845 -5.612 3.746 3 H3 MET 1 3H MET 1 -23.587 -5.088 2.161 4 HA MET 1 HA MET 1 -23.790 -2.809 2.820 5 HB2 MET 1 2HB MET 1 -23.921 -3.834 5.692 6 HB3 MET 1 3HB MET 1 -24.036 -2.160 5.156 7 HG2 MET 1 2HG MET 1 -26.082 -4.351 4.721 8 HG3 MET 1 3HG MET 1 -26.236 -2.951 5.782 9 HE1 MET 1 1HE MET 1 -25.209 -0.499 4.036 10 HE2 MET 1 2HE MET 1 -26.743 -0.467 4.908 11 HE3 MET 1 3HE MET 1 -26.686 -0.014 3.205 12 HA PRO 2 HA PRO 2 -19.373 -4.077 3.112 13 HB2 PRO 2 2HB PRO 2 -18.323 -2.045 1.602 14 HB3 PRO 2 3HB PRO 2 -19.158 -3.430 0.869 15 HG2 PRO 2 2HG PRO 2 -20.207 -0.667 1.387 16 HG3 PRO 2 3HG PRO 2 -20.440 -1.709 -0.035 17 HD2 PRO 2 2HD PRO 2 -22.316 -1.430 1.960 18 HD3 PRO 2 3HD PRO 2 -22.178 -2.882 0.946 19 H SER 3 H SER 3 -18.494 -3.710 5.073 20 HA SER 3 HA SER 3 -18.668 -1.225 6.515 21 HB2 SER 3 2HB SER 3 -17.299 -2.373 8.233 22 HB3 SER 3 3HB SER 3 -18.628 -3.403 7.723 23 HG SER 3 HG SER 3 -17.253 -4.726 6.724 24 H GLU 4 H GLU 4 -16.997 0.287 6.858 25 HA GLU 4 HA GLU 4 -15.203 0.685 4.706 26 HB2 GLU 4 2HB GLU 4 -16.150 2.523 6.136 27 HB3 GLU 4 3HB GLU 4 -15.077 2.018 7.436 28 HG2 GLU 4 2HG GLU 4 -13.128 2.461 5.852 29 HG3 GLU 4 3HG GLU 4 -14.289 3.185 4.742 30 H GLU 5 H GLU 5 -14.809 -0.866 7.857 31 HA GLU 5 HA GLU 5 -11.981 -1.065 7.870 32 HB2 GLU 5 2HB GLU 5 -13.309 -1.374 9.896 33 HB3 GLU 5 3HB GLU 5 -14.093 -2.795 9.215 34 HG2 GLU 5 2HG GLU 5 -11.966 -4.023 9.257 35 HG3 GLU 5 3HG GLU 5 -11.124 -2.587 9.837 36 H GLU 6 H GLU 6 -14.519 -3.145 6.513 37 HA GLU 6 HA GLU 6 -12.913 -5.232 5.475 38 HB2 GLU 6 2HB GLU 6 -15.343 -5.446 5.583 39 HB3 GLU 6 3HB GLU 6 -15.558 -4.075 4.504 40 HG2 GLU 6 2HG GLU 6 -14.579 -5.356 2.650 41 HG3 GLU 6 3HG GLU 6 -14.301 -6.722 3.731 42 H GLU 7 H GLU 7 -13.689 -1.984 4.307 43 HA GLU 7 HA GLU 7 -12.671 -2.309 1.681 44 HB2 GLU 7 2HB GLU 7 -12.984 0.285 3.242 45 HB3 GLU 7 3HB GLU 7 -12.764 0.140 1.502 46 HG2 GLU 7 2HG GLU 7 -15.167 -0.657 3.152 47 HG3 GLU 7 3HG GLU 7 -15.080 0.566 1.888 48 H LYS 8 H LYS 8 -11.167 -0.810 4.645 49 HA LYS 8 HA LYS 8 -8.636 -0.342 3.543 50 HB2 LYS 8 2HB LYS 8 -9.431 -0.928 6.417 51 HB3 LYS 8 3HB LYS 8 -7.743 -0.720 5.976 52 HG2 LYS 8 2HG LYS 8 -8.198 1.434 6.608 53 HG3 LYS 8 3HG LYS 8 -8.638 1.554 4.909 54 HD2 LYS 8 2HD LYS 8 -10.425 2.598 6.042 55 HD3 LYS 8 3HD LYS 8 -11.044 1.003 5.672 56 HE2 LYS 8 2HE LYS 8 -10.595 0.248 7.949 57 HE3 LYS 8 3HE LYS 8 -9.827 1.788 8.341 58 HZ1 LYS 8 1HZ LYS 8 -12.060 1.705 9.188 59 HZ2 LYS 8 2HZ LYS 8 -12.683 1.406 7.650 60 HZ3 LYS 8 3HZ LYS 8 -11.946 2.888 7.988 61 H ARG 9 H ARG 9 -9.982 -3.331 4.901 62 HA ARG 9 HA ARG 9 -7.663 -4.922 4.959 63 HB2 ARG 9 2HB ARG 9 -9.825 -5.575 5.994 64 HB3 ARG 9 3HB ARG 9 -10.524 -5.788 4.393 65 HG2 ARG 9 2HG ARG 9 -8.890 -7.624 3.955 66 HG3 ARG 9 3HG ARG 9 -8.262 -7.423 5.594 67 HD2 ARG 9 2HD ARG 9 -10.501 -7.979 6.499 68 HD3 ARG 9 3HD ARG 9 -11.095 -8.219 4.852 69 HE ARG 9 HE ARG 9 -8.817 -9.853 5.390 70 HH11 ARG 9 1HH1 ARG 9 -12.295 -9.675 5.945 71 HH12 ARG 9 2HH1 ARG 9 -12.466 -11.391 6.140 72 HH21 ARG 9 1HH2 ARG 9 -9.082 -12.101 5.708 73 HH22 ARG 9 2HH2 ARG 9 -10.660 -12.748 6.007 74 H GLN 10 H GLN 10 -10.024 -4.380 2.371 75 HA GLN 10 HA GLN 10 -8.830 -5.958 0.349 76 HB2 GLN 10 2HB GLN 10 -10.654 -3.519 0.175 77 HB3 GLN 10 3HB GLN 10 -10.210 -4.497 -1.222 78 HG2 GLN 10 2HG GLN 10 -11.358 -6.423 -0.330 79 HG3 GLN 10 3HG GLN 10 -11.638 -5.610 1.210 80 HE21 GLN 10 1HE2 GLN 10 -13.309 -4.098 1.358 81 HE22 GLN 10 2HE2 GLN 10 -14.495 -3.883 0.125 82 H VAL 11 H VAL 11 -8.441 -2.555 1.270 83 HA VAL 11 HA VAL 11 -6.894 -1.647 -0.906 84 HB VAL 11 HB VAL 11 -7.137 -0.575 1.951 85 HG11 VAL 11 1HG1 VAL 11 -5.945 0.824 -0.452 86 HG12 VAL 11 2HG1 VAL 11 -5.059 0.289 0.967 87 HG13 VAL 11 3HG1 VAL 11 -6.258 1.574 1.110 88 HG21 VAL 11 1HG2 VAL 11 -8.448 0.383 -0.614 89 HG22 VAL 11 2HG2 VAL 11 -8.688 1.061 0.999 90 HG23 VAL 11 3HG2 VAL 11 -9.236 -0.572 0.636 91 H LYS 12 H LYS 12 -5.934 -3.044 2.233 92 HA LYS 12 HA LYS 12 -3.137 -2.589 2.076 93 HB2 LYS 12 2HB LYS 12 -4.634 -4.807 3.532 94 HB3 LYS 12 3HB LYS 12 -2.938 -4.396 3.786 95 HG2 LYS 12 2HG LYS 12 -3.613 -2.159 4.600 96 HG3 LYS 12 3HG LYS 12 -5.307 -2.603 4.386 97 HD2 LYS 12 2HD LYS 12 -3.325 -3.948 6.256 98 HD3 LYS 12 3HD LYS 12 -4.621 -2.855 6.737 99 HE2 LYS 12 2HE LYS 12 -6.290 -4.478 5.975 100 HE3 LYS 12 3HE LYS 12 -5.011 -5.562 5.418 101 HZ1 LYS 12 1HZ LYS 12 -5.526 -4.726 8.214 102 HZ2 LYS 12 2HZ LYS 12 -4.218 -5.667 7.722 103 HZ3 LYS 12 3HZ LYS 12 -5.788 -6.260 7.555 104 H GLN 13 H GLN 13 -5.238 -5.201 0.968 105 HA GLN 13 HA GLN 13 -3.215 -6.947 0.007 106 HB2 GLN 13 2HB GLN 13 -5.496 -7.752 0.421 107 HB3 GLN 13 3HB GLN 13 -6.143 -6.669 -0.806 108 HG2 GLN 13 2HG GLN 13 -4.943 -7.918 -2.557 109 HG3 GLN 13 3HG GLN 13 -4.247 -8.978 -1.336 110 HE21 GLN 13 1HE2 GLN 13 -7.620 -7.868 -1.306 111 HE22 GLN 13 2HE2 GLN 13 -8.308 -9.421 -1.623 112 H VAL 14 H VAL 14 -5.225 -4.466 -1.626 113 HA VAL 14 HA VAL 14 -4.148 -4.674 -4.221 114 HB VAL 14 HB VAL 14 -5.295 -2.174 -2.863 115 HG11 VAL 14 1HG1 VAL 14 -5.869 -1.378 -5.130 116 HG12 VAL 14 2HG1 VAL 14 -5.079 -2.790 -5.836 117 HG13 VAL 14 3HG1 VAL 14 -4.124 -1.597 -4.955 118 HG21 VAL 14 1HG2 VAL 14 -6.876 -4.061 -2.757 119 HG22 VAL 14 2HG2 VAL 14 -6.749 -4.288 -4.499 120 HG23 VAL 14 3HG2 VAL 14 -7.470 -2.812 -3.852 121 H ALA 15 H ALA 15 -3.009 -3.014 -1.366 122 HA ALA 15 HA ALA 15 -0.994 -1.384 -2.563 123 HB1 ALA 15 1HB ALA 15 -0.313 -0.945 -0.243 124 HB2 ALA 15 2HB ALA 15 -1.339 -2.267 0.325 125 HB3 ALA 15 3HB ALA 15 -2.064 -0.837 -0.410 126 H LYS 16 H LYS 16 -0.913 -4.493 -0.791 127 HA LYS 16 HA LYS 16 1.924 -4.724 -0.728 128 HB2 LYS 16 2HB LYS 16 1.587 -6.916 0.270 129 HB3 LYS 16 3HB LYS 16 0.424 -5.790 0.951 130 HG2 LYS 16 2HG LYS 16 -1.320 -6.725 -0.550 131 HG3 LYS 16 3HG LYS 16 -0.160 -7.905 -1.141 132 HD2 LYS 16 2HD LYS 16 -1.032 -7.669 1.772 133 HD3 LYS 16 3HD LYS 16 -1.745 -8.784 0.606 134 HE2 LYS 16 2HE LYS 16 1.159 -8.783 1.497 135 HE3 LYS 16 3HE LYS 16 -0.082 -9.925 2.012 136 HZ1 LYS 16 1HZ LYS 16 1.362 -10.786 0.241 137 HZ2 LYS 16 2HZ LYS 16 0.805 -9.580 -0.805 138 HZ3 LYS 16 3HZ LYS 16 -0.262 -10.750 -0.216 139 H GLU 17 H GLU 17 -0.569 -5.957 -2.914 140 HA GLU 17 HA GLU 17 1.012 -7.855 -4.285 141 HB2 GLU 17 2HB GLU 17 -1.443 -6.339 -5.276 142 HB3 GLU 17 3HB GLU 17 -0.742 -7.745 -6.070 143 HG2 GLU 17 2HG GLU 17 -2.018 -7.683 -3.326 144 HG3 GLU 17 3HG GLU 17 -2.720 -8.362 -4.785 145 H LYS 18 H LYS 18 0.434 -4.392 -4.838 146 HA LYS 18 HA LYS 18 1.816 -4.267 -7.352 147 HB2 LYS 18 2HB LYS 18 1.016 -2.025 -5.459 148 HB3 LYS 18 3HB LYS 18 1.577 -1.803 -7.114 149 HG2 LYS 18 2HG LYS 18 -0.979 -3.166 -6.227 150 HG3 LYS 18 3HG LYS 18 -0.845 -1.604 -7.029 151 HD2 LYS 18 2HD LYS 18 -0.097 -4.287 -8.266 152 HD3 LYS 18 3HD LYS 18 -1.607 -3.422 -8.549 153 HE2 LYS 18 2HE LYS 18 1.164 -2.417 -9.289 154 HE3 LYS 18 3HE LYS 18 -0.027 -3.085 -10.403 155 HZ1 LYS 18 1HZ LYS 18 -0.099 -0.719 -10.511 156 HZ2 LYS 18 2HZ LYS 18 -0.282 -0.573 -8.841 157 HZ3 LYS 18 3HZ LYS 18 -1.523 -1.246 -9.771 158 H LEU 19 H LEU 19 2.749 -3.763 -3.982 159 HA LEU 19 HA LEU 19 5.421 -2.903 -4.507 160 HB2 LEU 19 2HB LEU 19 4.061 -4.122 -2.090 161 HB3 LEU 19 3HB LEU 19 5.775 -3.726 -2.077 162 HG LEU 19 HG LEU 19 3.523 -1.720 -2.534 163 HD11 LEU 19 1HD1 LEU 19 4.081 -0.842 -0.330 164 HD12 LEU 19 2HD1 LEU 19 5.296 -2.106 -0.110 165 HD13 LEU 19 3HD1 LEU 19 3.585 -2.531 -0.222 166 HD21 LEU 19 1HD2 LEU 19 5.554 -1.080 -3.728 167 HD22 LEU 19 2HD2 LEU 19 6.513 -1.279 -2.260 168 HD23 LEU 19 3HD2 LEU 19 5.283 -0.016 -2.352 169 H LEU 20 H LEU 20 3.911 -6.091 -4.220 170 HA LEU 20 HA LEU 20 6.307 -7.644 -4.389 171 HB2 LEU 20 2HB LEU 20 3.414 -8.321 -5.049 172 HB3 LEU 20 3HB LEU 20 4.711 -9.504 -5.094 173 HG LEU 20 HG LEU 20 3.948 -7.979 -2.574 174 HD11 LEU 20 1HD1 LEU 20 3.015 -10.740 -3.417 175 HD12 LEU 20 2HD1 LEU 20 2.018 -9.286 -3.286 176 HD13 LEU 20 3HD1 LEU 20 2.740 -9.987 -1.842 177 HD21 LEU 20 1HD2 LEU 20 5.207 -9.739 -1.405 178 HD22 LEU 20 2HD2 LEU 20 6.231 -8.865 -2.540 179 HD23 LEU 20 3HD2 LEU 20 5.638 -10.478 -2.950 180 H GLU 21 H GLU 21 4.126 -6.168 -6.774 181 HA GLU 21 HA GLU 21 5.094 -7.385 -9.129 182 HB2 GLU 21 2HB GLU 21 3.939 -4.584 -8.746 183 HB3 GLU 21 3HB GLU 21 4.245 -5.314 -10.318 184 HG2 GLU 21 2HG GLU 21 2.284 -6.335 -8.246 185 HG3 GLU 21 3HG GLU 21 1.869 -5.420 -9.690 186 H GLN 22 H GLN 22 6.105 -4.474 -7.384 187 HA GLN 22 HA GLN 22 8.162 -3.647 -9.185 188 HB2 GLN 22 2HB GLN 22 7.634 -2.933 -6.272 189 HB3 GLN 22 3HB GLN 22 8.820 -2.117 -7.292 190 HG2 GLN 22 2HG GLN 22 7.051 -1.328 -8.779 191 HG3 GLN 22 3HG GLN 22 5.838 -2.209 -7.845 192 HE21 GLN 22 1HE2 GLN 22 5.312 -1.459 -5.761 193 HE22 GLN 22 2HE2 GLN 22 5.651 0.162 -5.270 194 H SER 23 H SER 23 8.143 -5.501 -6.148 195 HA SER 23 HA SER 23 10.863 -6.475 -6.715 196 HB2 SER 23 2HB SER 23 11.070 -4.553 -5.123 197 HB3 SER 23 3HB SER 23 10.036 -5.411 -3.980 198 HG SER 23 HG SER 23 11.899 -6.150 -3.324 199 HA PRO 24 HA PRO 24 8.509 -10.249 -5.408 200 HB2 PRO 24 2HB PRO 24 9.677 -11.868 -7.290 201 HB3 PRO 24 3HB PRO 24 8.244 -10.884 -7.656 202 HG2 PRO 24 2HG PRO 24 11.135 -10.271 -8.247 203 HG3 PRO 24 3HG PRO 24 9.721 -10.148 -9.322 204 HD2 PRO 24 2HD PRO 24 10.732 -7.972 -8.068 205 HD3 PRO 24 3HD PRO 24 8.986 -8.153 -8.357 206 H ASN 25 H ASN 25 11.687 -9.067 -5.732 207 HA ASN 25 HA ASN 25 13.242 -11.192 -4.658 208 HB2 ASN 25 2HB ASN 25 13.806 -8.193 -4.705 209 HB3 ASN 25 3HB ASN 25 15.004 -9.455 -4.440 210 HD21 ASN 25 1HD2 ASN 25 13.916 -11.230 -6.545 211 HD22 ASN 25 2HD2 ASN 25 14.339 -10.486 -8.045 212 H SER 26 H SER 26 11.211 -8.762 -3.262 213 HA SER 26 HA SER 26 12.199 -9.317 -0.514 214 HB2 SER 26 2HB SER 26 10.692 -6.829 -1.451 215 HB3 SER 26 3HB SER 26 11.549 -7.073 0.078 216 HG SER 26 HG SER 26 13.481 -7.209 -1.123 217 H LYS 27 H LYS 27 10.689 -9.786 1.066 218 HA LYS 27 HA LYS 27 7.924 -10.325 0.228 219 HB2 LYS 27 2HB LYS 27 9.156 -12.094 1.480 220 HB3 LYS 27 3HB LYS 27 9.323 -11.002 2.850 221 HG2 LYS 27 2HG LYS 27 6.906 -10.982 3.202 222 HG3 LYS 27 3HG LYS 27 6.644 -11.916 1.728 223 HD2 LYS 27 2HD LYS 27 8.102 -12.904 4.211 224 HD3 LYS 27 3HD LYS 27 6.451 -13.332 3.755 225 HE2 LYS 27 2HE LYS 27 7.286 -14.440 1.715 226 HE3 LYS 27 3HE LYS 27 8.939 -13.972 2.122 227 HZ1 LYS 27 1HZ LYS 27 8.525 -16.245 2.740 228 HZ2 LYS 27 2HZ LYS 27 7.196 -15.800 3.685 229 HZ3 LYS 27 3HZ LYS 27 8.755 -15.321 4.139 230 H VAL 28 H VAL 28 6.409 -8.872 0.653 231 HA VAL 28 HA VAL 28 7.082 -6.447 2.170 232 HB VAL 28 HB VAL 28 4.783 -6.954 0.225 233 HG11 VAL 28 1HG1 VAL 28 5.845 -4.338 1.326 234 HG12 VAL 28 2HG1 VAL 28 4.329 -5.115 1.788 235 HG13 VAL 28 3HG1 VAL 28 4.545 -4.513 0.144 236 HG21 VAL 28 1HG2 VAL 28 7.451 -5.610 -0.342 237 HG22 VAL 28 2HG2 VAL 28 6.100 -5.738 -1.472 238 HG23 VAL 28 3HG2 VAL 28 6.943 -7.193 -0.938 239 H GLN 29 H GLN 29 5.941 -5.861 3.975 240 HA GLN 29 HA GLN 29 3.570 -7.445 4.809 241 HB2 GLN 29 2HB GLN 29 5.530 -8.306 6.022 242 HB3 GLN 29 3HB GLN 29 5.979 -6.679 6.519 243 HG2 GLN 29 2HG GLN 29 4.945 -7.921 8.366 244 HG3 GLN 29 3HG GLN 29 3.973 -6.521 7.914 245 HE21 GLN 29 1HE2 GLN 29 2.090 -7.382 8.806 246 HE22 GLN 29 2HE2 GLN 29 1.251 -8.722 8.113 247 H VAL 30 H VAL 30 1.911 -6.213 5.571 248 HA VAL 30 HA VAL 30 1.841 -3.434 5.185 249 HB VAL 30 HB VAL 30 -0.047 -5.089 6.927 250 HG11 VAL 30 1HG1 VAL 30 -0.489 -2.382 5.606 251 HG12 VAL 30 2HG1 VAL 30 -0.276 -2.665 7.334 252 HG13 VAL 30 3HG1 VAL 30 -1.695 -3.297 6.507 253 HG21 VAL 30 1HG2 VAL 30 -1.480 -5.290 4.925 254 HG22 VAL 30 2HG2 VAL 30 0.105 -6.012 4.635 255 HG23 VAL 30 3HG2 VAL 30 -0.280 -4.425 3.962 256 H ARG 31 H ARG 31 2.612 -1.826 6.389 257 HA ARG 31 HA ARG 31 3.854 -2.405 8.986 258 HB2 ARG 31 2HB ARG 31 5.159 -1.315 7.127 259 HB3 ARG 31 3HB ARG 31 4.081 0.073 7.210 260 HG2 ARG 31 2HG ARG 31 6.173 0.562 8.360 261 HG3 ARG 31 3HG ARG 31 4.854 0.516 9.533 262 HD2 ARG 31 2HD ARG 31 5.528 -1.790 10.170 263 HD3 ARG 31 3HD ARG 31 6.864 -1.713 9.015 264 HE ARG 31 HE ARG 31 7.428 0.401 10.493 265 HH11 ARG 31 1HH1 ARG 31 6.396 -2.778 11.639 266 HH12 ARG 31 2HH1 ARG 31 7.247 -2.627 13.146 267 HH21 ARG 31 1HH2 ARG 31 8.518 0.569 12.459 268 HH22 ARG 31 2HH2 ARG 31 8.446 -0.730 13.608 269 H ARG 32 H ARG 32 1.651 -0.028 7.491 270 HA ARG 32 HA ARG 32 0.049 0.276 9.864 271 HB2 ARG 32 2HB ARG 32 2.021 1.781 10.355 272 HB3 ARG 32 3HB ARG 32 1.655 2.704 8.901 273 HG2 ARG 32 2HG ARG 32 -0.532 3.348 9.869 274 HG3 ARG 32 3HG ARG 32 -0.164 2.418 11.322 275 HD2 ARG 32 2HD ARG 32 1.872 3.926 11.630 276 HD3 ARG 32 3HD ARG 32 1.224 4.929 10.329 277 HE ARG 32 HE ARG 32 -0.794 5.212 11.750 278 HH11 ARG 32 1HH1 ARG 32 2.278 4.470 13.306 279 HH12 ARG 32 2HH1 ARG 32 1.814 5.172 14.821 280 HH21 ARG 32 1HH2 ARG 32 -1.410 6.062 13.770 281 HH22 ARG 32 2HH2 ARG 32 -0.275 6.074 15.081 282 H VAL 33 H VAL 33 -1.950 1.338 9.390 283 HA VAL 33 HA VAL 33 -2.436 2.093 6.554 284 HB VAL 33 HB VAL 33 -4.474 1.048 8.590 285 HG11 VAL 33 1HG1 VAL 33 -6.071 0.995 6.697 286 HG12 VAL 33 2HG1 VAL 33 -4.851 1.717 5.645 287 HG13 VAL 33 3HG1 VAL 33 -5.499 2.640 7.002 288 HG21 VAL 33 1HG2 VAL 33 -2.953 -0.733 7.827 289 HG22 VAL 33 2HG2 VAL 33 -3.311 -0.329 6.146 290 HG23 VAL 33 3HG2 VAL 33 -4.581 -0.975 7.188 291 H GLN 34 H GLN 34 -2.949 4.141 6.214 292 HA GLN 34 HA GLN 34 -3.902 5.904 8.403 293 HB2 GLN 34 2HB GLN 34 -1.619 6.508 7.633 294 HB3 GLN 34 3HB GLN 34 -2.167 6.571 5.963 295 HG2 GLN 34 2HG GLN 34 -1.870 8.824 6.929 296 HG3 GLN 34 3HG GLN 34 -3.539 8.531 6.446 297 HE21 GLN 34 1HE2 GLN 34 -1.364 8.770 9.207 298 HE22 GLN 34 2HE2 GLN 34 -2.588 9.136 10.370 299 H LYS 35 H LYS 35 -5.765 7.051 7.953 300 HA LYS 35 HA LYS 35 -7.160 6.526 5.388 301 HB2 LYS 35 2HB LYS 35 -8.084 5.763 7.745 302 HB3 LYS 35 3HB LYS 35 -8.488 7.452 7.975 303 HG2 LYS 35 2HG LYS 35 -9.542 5.713 5.717 304 HG3 LYS 35 3HG LYS 35 -10.394 6.024 7.228 305 HD2 LYS 35 2HD LYS 35 -10.373 8.488 6.641 306 HD3 LYS 35 3HD LYS 35 -9.694 8.050 5.069 307 HE2 LYS 35 2HE LYS 35 -12.063 8.346 4.787 308 HE3 LYS 35 3HE LYS 35 -11.740 6.616 4.683 309 HZ1 LYS 35 1HZ LYS 35 -12.767 8.048 7.068 310 HZ2 LYS 35 2HZ LYS 35 -12.473 6.389 6.973 311 HZ3 LYS 35 3HZ LYS 35 -13.680 7.087 6.021 312 H GLN 36 H GLN 36 -7.204 8.253 4.049 313 HA GLN 36 HA GLN 36 -7.274 11.010 5.124 314 HB2 GLN 36 2HB GLN 36 -4.953 10.484 4.376 315 HB3 GLN 36 3HB GLN 36 -5.559 10.037 2.786 316 HG2 GLN 36 2HG GLN 36 -6.337 12.376 2.456 317 HG3 GLN 36 3HG GLN 36 -5.654 12.807 4.023 318 HE21 GLN 36 1HE2 GLN 36 -3.388 12.951 4.232 319 HE22 GLN 36 2HE2 GLN 36 -2.347 13.002 2.855 320 H GLY 37 H GLY 37 -9.560 10.622 4.800 321 HA2 GLY 37 2HA GLY 37 -11.546 10.965 3.732 322 HA3 GLY 37 3HA GLY 37 -10.640 11.768 2.461 323 H ASN 38 H ASN 38 -10.735 10.835 0.516 324 HA ASN 38 HA ASN 38 -12.002 8.243 0.159 325 HB2 ASN 38 2HB ASN 38 -10.938 10.162 -1.964 326 HB3 ASN 38 3HB ASN 38 -12.027 8.797 -2.229 327 HD21 ASN 38 1HD2 ASN 38 -14.194 8.938 -1.301 328 HD22 ASN 38 2HD2 ASN 38 -14.910 10.487 -1.037 329 H THR 39 H THR 39 -8.797 9.478 0.286 330 HA THR 39 HA THR 39 -7.616 7.158 -1.102 331 HB THR 39 HB THR 39 -6.242 9.695 -0.095 332 HG1 THR 39 HG1 THR 39 -7.886 9.383 -2.175 333 HG21 THR 39 1HG2 THR 39 -5.294 7.546 -2.038 334 HG22 THR 39 2HG2 THR 39 -4.648 7.839 -0.417 335 HG23 THR 39 3HG2 THR 39 -4.441 9.046 -1.690 336 H ILE 40 H ILE 40 -7.573 5.492 0.351 337 HA ILE 40 HA ILE 40 -6.592 5.810 3.076 338 HB ILE 40 HB ILE 40 -7.258 3.286 1.484 339 HG12 ILE 40 2HG1 ILE 40 -8.889 4.710 3.643 340 HG13 ILE 40 3HG1 ILE 40 -9.219 4.795 1.917 341 HG21 ILE 40 1HG2 ILE 40 -5.637 2.794 3.272 342 HG22 ILE 40 2HG2 ILE 40 -7.213 2.105 3.659 343 HG23 ILE 40 3HG2 ILE 40 -6.682 3.586 4.458 344 HD11 ILE 40 1HD1 ILE 40 -9.342 2.285 3.584 345 HD12 ILE 40 2HD1 ILE 40 -9.722 2.426 1.869 346 HD13 ILE 40 3HD1 ILE 40 -10.712 3.260 3.062 347 H ARG 41 H ARG 41 -4.512 6.187 3.295 348 HA ARG 41 HA ARG 41 -2.460 5.282 1.424 349 HB2 ARG 41 2HB ARG 41 -2.364 7.051 3.911 350 HB3 ARG 41 3HB ARG 41 -0.977 6.708 2.883 351 HG2 ARG 41 2HG ARG 41 -2.094 7.842 0.997 352 HG3 ARG 41 3HG ARG 41 -3.486 8.189 2.024 353 HD2 ARG 41 2HD ARG 41 -2.297 9.739 3.334 354 HD3 ARG 41 3HD ARG 41 -0.723 9.082 2.873 355 HE ARG 41 HE ARG 41 -2.222 10.308 0.716 356 HH11 ARG 41 1HH1 ARG 41 0.162 10.838 3.254 357 HH12 ARG 41 2HH1 ARG 41 0.833 12.251 2.499 358 HH21 ARG 41 1HH2 ARG 41 -1.285 12.128 -0.288 359 HH22 ARG 41 2HH2 ARG 41 0.009 12.973 0.494 360 H VAL 42 H VAL 42 -2.261 3.043 1.833 361 HA VAL 42 HA VAL 42 -1.710 2.102 4.554 362 HB VAL 42 HB VAL 42 -1.676 0.511 1.941 363 HG11 VAL 42 1HG1 VAL 42 -1.794 -1.500 3.373 364 HG12 VAL 42 2HG1 VAL 42 -1.715 -0.489 4.817 365 HG13 VAL 42 3HG1 VAL 42 -0.334 -0.567 3.722 366 HG21 VAL 42 1HG2 VAL 42 -3.877 0.768 4.014 367 HG22 VAL 42 2HG2 VAL 42 -3.886 -0.351 2.646 368 HG23 VAL 42 3HG2 VAL 42 -3.913 1.392 2.358 369 H GLU 43 H GLU 43 0.276 2.636 5.267 370 HA GLU 43 HA GLU 43 2.685 2.549 3.679 371 HB2 GLU 43 2HB GLU 43 2.322 2.583 6.708 372 HB3 GLU 43 3HB GLU 43 3.859 2.790 5.865 373 HG2 GLU 43 2HG GLU 43 2.925 4.857 4.785 374 HG3 GLU 43 3HG GLU 43 1.472 4.658 5.767 375 H LEU 44 H LEU 44 3.982 0.790 3.330 376 HA LEU 44 HA LEU 44 3.706 -1.604 5.051 377 HB2 LEU 44 2HB LEU 44 4.122 -1.779 2.046 378 HB3 LEU 44 3HB LEU 44 3.997 -3.107 3.180 379 HG LEU 44 HG LEU 44 1.564 -2.073 3.631 380 HD11 LEU 44 1HD1 LEU 44 1.862 -0.131 2.160 381 HD12 LEU 44 2HD1 LEU 44 0.519 -1.151 1.655 382 HD13 LEU 44 3HD1 LEU 44 2.047 -1.207 0.773 383 HD21 LEU 44 1HD2 LEU 44 1.952 -4.347 2.877 384 HD22 LEU 44 2HD2 LEU 44 2.198 -3.787 1.221 385 HD23 LEU 44 3HD2 LEU 44 0.615 -3.620 1.987 386 H GLU 45 H GLU 45 5.603 -3.082 4.705 387 HA GLU 45 HA GLU 45 8.099 -1.519 4.603 388 HB2 GLU 45 2HB GLU 45 7.271 -2.597 6.820 389 HB3 GLU 45 3HB GLU 45 7.644 -4.149 6.087 390 HG2 GLU 45 2HG GLU 45 9.655 -1.915 6.493 391 HG3 GLU 45 3HG GLU 45 9.414 -3.237 7.621 392 H LEU 46 H LEU 46 9.553 -2.133 3.134 393 HA LEU 46 HA LEU 46 9.464 -4.729 1.774 394 HB2 LEU 46 2HB LEU 46 8.093 -3.095 0.423 395 HB3 LEU 46 3HB LEU 46 9.490 -2.078 0.287 396 HG LEU 46 HG LEU 46 9.402 -4.873 -0.918 397 HD11 LEU 46 1HD1 LEU 46 8.740 -2.254 -2.313 398 HD12 LEU 46 2HD1 LEU 46 7.592 -3.528 -1.897 399 HD13 LEU 46 3HD1 LEU 46 8.859 -3.846 -3.077 400 HD21 LEU 46 1HD2 LEU 46 11.684 -3.992 -0.690 401 HD22 LEU 46 2HD2 LEU 46 11.227 -2.514 -1.537 402 HD23 LEU 46 3HD2 LEU 46 11.222 -4.062 -2.389 403 H ARG 47 H ARG 47 11.499 -5.396 1.206 404 HA ARG 47 HA ARG 47 13.623 -3.965 2.674 405 HB2 ARG 47 2HB ARG 47 13.451 -6.928 1.941 406 HB3 ARG 47 3HB ARG 47 14.546 -6.175 3.100 407 HG2 ARG 47 2HG ARG 47 12.591 -5.542 4.496 408 HG3 ARG 47 3HG ARG 47 11.534 -6.378 3.362 409 HD2 ARG 47 2HD ARG 47 12.480 -8.521 3.956 410 HD3 ARG 47 3HD ARG 47 13.757 -7.750 4.917 411 HE ARG 47 HE ARG 47 11.407 -6.819 5.980 412 HH11 ARG 47 1HH1 ARG 47 12.700 -10.067 5.544 413 HH12 ARG 47 2HH1 ARG 47 11.868 -10.694 6.931 414 HH21 ARG 47 1HH2 ARG 47 10.419 -7.623 7.801 415 HH22 ARG 47 2HH2 ARG 47 10.575 -9.303 8.213 416 H THR 48 H THR 48 14.635 -2.692 1.057 417 HA THR 48 HA THR 48 15.292 -3.725 -1.553 418 HB THR 48 HB THR 48 16.454 -1.285 -0.132 419 HG1 THR 48 HG1 THR 48 14.283 -0.965 -0.292 420 HG21 THR 48 1HG2 THR 48 16.323 -1.945 -3.105 421 HG22 THR 48 2HG2 THR 48 17.788 -1.988 -2.121 422 HG23 THR 48 3HG2 THR 48 16.960 -0.456 -2.404 423 H ASN 49 H ASN 49 16.387 -5.654 -1.233 424 HA ASN 49 HA ASN 49 17.960 -7.197 -0.730 425 HB2 ASN 49 2HB ASN 49 19.898 -4.840 -0.592 426 HB3 ASN 49 3HB ASN 49 20.336 -6.529 -0.827 427 HD21 ASN 49 1HD2 ASN 49 20.762 -4.095 -2.505 428 HD22 ASN 49 2HD2 ASN 49 20.147 -4.513 -4.064 429 H GLY 50 H GLY 50 16.389 -6.097 1.388 430 HA2 GLY 50 2HA GLY 50 16.304 -6.783 3.653 431 HA3 GLY 50 3HA GLY 50 18.052 -6.717 3.750 432 H LYS 51 H LYS 51 17.444 -3.897 2.258 433 HA LYS 51 HA LYS 51 17.661 -2.361 4.691 434 HB2 LYS 51 2HB LYS 51 17.432 -1.478 1.789 435 HB3 LYS 51 3HB LYS 51 17.657 -0.363 3.129 436 HG2 LYS 51 2HG LYS 51 19.624 -2.569 2.429 437 HG3 LYS 51 3HG LYS 51 19.731 -0.923 1.821 438 HD2 LYS 51 2HD LYS 51 21.228 -0.888 3.616 439 HD3 LYS 51 3HD LYS 51 19.770 -0.217 4.341 440 HE2 LYS 51 2HE LYS 51 20.891 -1.821 5.840 441 HE3 LYS 51 3HE LYS 51 19.291 -2.401 5.390 442 HZ1 LYS 51 1HZ LYS 51 21.873 -3.287 4.230 443 HZ2 LYS 51 2HZ LYS 51 20.359 -3.826 3.720 444 HZ3 LYS 51 3HZ LYS 51 20.900 -4.177 5.282 445 H LYS 52 H LYS 52 16.130 -1.290 5.768 446 HA LYS 52 HA LYS 52 13.373 -1.992 5.233 447 HB2 LYS 52 2HB LYS 52 14.614 -2.060 7.507 448 HB3 LYS 52 3HB LYS 52 14.443 -0.315 7.547 449 HG2 LYS 52 2HG LYS 52 12.106 -2.241 7.372 450 HG3 LYS 52 3HG LYS 52 12.755 -1.643 8.881 451 HD2 LYS 52 2HD LYS 52 11.563 0.138 6.725 452 HD3 LYS 52 3HD LYS 52 10.658 -0.496 8.095 453 HE2 LYS 52 2HE LYS 52 11.275 1.763 8.609 454 HE3 LYS 52 3HE LYS 52 12.252 0.711 9.627 455 HZ1 LYS 52 1HZ LYS 52 14.128 1.083 8.203 456 HZ2 LYS 52 2HZ LYS 52 13.486 2.578 8.642 457 HZ3 LYS 52 3HZ LYS 52 13.193 1.958 7.099 458 H GLU 53 H GLU 53 12.214 -0.752 3.874 459 HA GLU 53 HA GLU 53 12.162 2.177 4.362 460 HB2 GLU 53 2HB GLU 53 12.054 0.801 1.647 461 HB3 GLU 53 3HB GLU 53 11.395 2.410 1.891 462 HG2 GLU 53 2HG GLU 53 13.531 2.767 0.976 463 HG3 GLU 53 3HG GLU 53 13.697 3.110 2.695 464 H ASN 54 H ASN 54 10.191 3.022 4.656 465 HA ASN 54 HA ASN 54 7.793 1.351 4.542 466 HB2 ASN 54 2HB ASN 54 8.275 4.155 5.645 467 HB3 ASN 54 3HB ASN 54 6.692 3.378 5.631 468 HD21 ASN 54 1HD2 ASN 54 6.529 3.400 7.891 469 HD22 ASN 54 2HD2 ASN 54 7.495 2.383 8.903 470 H TYR 55 H TYR 55 6.525 1.383 2.800 471 HA TYR 55 HA TYR 55 6.666 3.580 0.827 472 HB2 TYR 55 2HB TYR 55 5.713 0.685 0.557 473 HB3 TYR 55 3HB TYR 55 5.626 1.884 -0.730 474 HD1 TYR 55 HD1 TYR 55 7.369 1.930 -2.290 475 HD2 TYR 55 HD2 TYR 55 8.167 0.359 1.593 476 HE1 TYR 55 HE1 TYR 55 9.641 1.270 -3.003 477 HE2 TYR 55 HE2 TYR 55 10.408 -0.282 0.885 478 HH TYR 55 HH TYR 55 11.625 -0.780 -1.104 479 H THR 56 H THR 56 5.045 4.957 1.032 480 HA THR 56 HA THR 56 2.503 4.241 2.270 481 HB THR 56 HB THR 56 3.456 6.929 1.157 482 HG1 THR 56 HG1 THR 56 3.898 5.615 3.594 483 HG21 THR 56 1HG2 THR 56 1.204 6.285 3.099 484 HG22 THR 56 2HG2 THR 56 1.004 6.838 1.432 485 HG23 THR 56 3HG2 THR 56 1.732 7.901 2.641 486 H VAL 57 H VAL 57 1.405 3.022 0.859 487 HA VAL 57 HA VAL 57 1.240 3.680 -1.986 488 HB VAL 57 HB VAL 57 0.004 1.320 -0.479 489 HG11 VAL 57 1HG1 VAL 57 0.418 1.760 -3.463 490 HG12 VAL 57 2HG1 VAL 57 -1.126 1.790 -2.613 491 HG13 VAL 57 3HG1 VAL 57 -0.212 0.286 -2.723 492 HG21 VAL 57 1HG2 VAL 57 2.460 1.256 -0.286 493 HG22 VAL 57 2HG2 VAL 57 2.619 1.408 -2.038 494 HG23 VAL 57 3HG2 VAL 57 1.883 -0.038 -1.342 495 H GLU 58 H GLU 58 -0.090 5.259 -2.336 496 HA GLU 58 HA GLU 58 -2.387 5.860 -0.669 497 HB2 GLU 58 2HB GLU 58 -1.209 7.314 -3.083 498 HB3 GLU 58 3HB GLU 58 -2.431 7.959 -1.987 499 HG2 GLU 58 2HG GLU 58 -0.744 7.754 -0.114 500 HG3 GLU 58 3HG GLU 58 0.449 7.278 -1.317 501 H VAL 59 H VAL 59 -4.063 4.564 -1.073 502 HA VAL 59 HA VAL 59 -4.845 3.891 -3.860 503 HB VAL 59 HB VAL 59 -5.566 2.385 -1.307 504 HG11 VAL 59 1HG1 VAL 59 -5.838 1.560 -4.214 505 HG12 VAL 59 2HG1 VAL 59 -7.154 2.012 -3.128 506 HG13 VAL 59 3HG1 VAL 59 -6.224 0.544 -2.821 507 HG21 VAL 59 1HG2 VAL 59 -3.351 1.672 -3.264 508 HG22 VAL 59 2HG2 VAL 59 -3.888 0.678 -1.903 509 HG23 VAL 59 3HG2 VAL 59 -3.130 2.244 -1.605 510 H GLU 60 H GLU 60 -6.558 5.074 -4.504 511 HA GLU 60 HA GLU 60 -8.423 6.242 -2.516 512 HB2 GLU 60 2HB GLU 60 -7.154 7.841 -3.868 513 HB3 GLU 60 3HB GLU 60 -7.714 7.077 -5.351 514 HG2 GLU 60 2HG GLU 60 -10.048 7.784 -4.784 515 HG3 GLU 60 3HG GLU 60 -9.420 8.619 -3.361 516 H ARG 61 H ARG 61 -10.630 6.141 -2.830 517 HA ARG 61 HA ARG 61 -11.752 3.969 -4.344 518 HB2 ARG 61 2HB ARG 61 -12.604 4.762 -2.095 519 HB3 ARG 61 3HB ARG 61 -13.177 6.231 -2.869 520 HG2 ARG 61 2HG ARG 61 -15.026 4.698 -2.556 521 HG3 ARG 61 3HG ARG 61 -14.706 4.866 -4.282 522 HD2 ARG 61 2HD ARG 61 -13.701 2.704 -4.405 523 HD3 ARG 61 3HD ARG 61 -13.563 2.579 -2.644 524 HE ARG 61 HE ARG 61 -16.253 2.789 -3.764 525 HH11 ARG 61 1HH1 ARG 61 -13.778 0.663 -2.464 526 HH12 ARG 61 2HH1 ARG 61 -14.891 -0.617 -2.115 527 HH21 ARG 61 1HH2 ARG 61 -17.707 1.114 -3.266 528 HH22 ARG 61 2HH2 ARG 61 -17.121 -0.365 -2.568 529 H GLN 62 H GLN 62 -11.872 4.215 -6.502 530 HA GLN 62 HA GLN 62 -13.226 6.616 -7.611 531 HB2 GLN 62 2HB GLN 62 -11.063 4.879 -8.903 532 HB3 GLN 62 3HB GLN 62 -12.060 6.003 -9.815 533 HG2 GLN 62 2HG GLN 62 -11.205 7.835 -8.242 534 HG3 GLN 62 3HG GLN 62 -10.033 6.659 -7.658 535 HE21 GLN 62 1HE2 GLN 62 -9.616 5.468 -10.352 536 HE22 GLN 62 2HE2 GLN 62 -8.689 6.630 -11.229 537 H GLY 63 H GLY 63 -15.239 6.119 -8.030 538 HA2 GLY 63 2HA GLY 63 -17.126 5.051 -8.767 539 HA3 GLY 63 3HA GLY 63 -16.108 3.804 -9.485 540 H ASN 64 H ASN 64 -16.107 1.858 -8.520 541 HA ASN 64 HA ASN 64 -16.894 1.601 -5.659 542 HB2 ASN 64 2HB ASN 64 -17.479 -0.431 -7.865 543 HB3 ASN 64 3HB ASN 64 -17.988 -0.527 -6.183 544 HD21 ASN 64 1HD2 ASN 64 -18.506 1.096 -9.241 545 HD22 ASN 64 2HD2 ASN 64 -20.051 1.769 -8.850 546 H THR 65 H THR 65 -14.311 1.583 -7.569 547 HA THR 65 HA THR 65 -13.066 -0.894 -6.499 548 HB THR 65 HB THR 65 -11.425 -0.664 -8.392 549 HG1 THR 65 HG1 THR 65 -12.183 1.754 -8.597 550 HG21 THR 65 1HG2 THR 65 -14.321 -0.740 -9.333 551 HG22 THR 65 2HG2 THR 65 -13.421 -2.116 -8.681 552 HG23 THR 65 3HG2 THR 65 -12.937 -1.372 -10.211 553 H TRP 66 H TRP 66 -11.056 -0.778 -5.530 554 HA TRP 66 HA TRP 66 -10.044 1.839 -4.653 555 HB2 TRP 66 2HB TRP 66 -9.474 -1.016 -3.723 556 HB3 TRP 66 3HB TRP 66 -8.583 0.384 -3.133 557 HD1 TRP 66 HD1 TRP 66 -11.684 -1.576 -2.427 558 HE1 TRP 66 HE1 TRP 66 -13.067 -0.391 -0.605 559 HE3 TRP 66 HE3 TRP 66 -9.256 2.930 -2.343 560 HZ2 TRP 66 HZ2 TRP 66 -13.132 2.118 0.677 561 HZ3 TRP 66 HZ3 TRP 66 -10.047 4.675 -0.798 562 HH2 TRP 66 HH2 TRP 66 -11.949 4.273 0.685 563 H THR 67 H THR 67 -8.533 2.728 -5.892 564 HA THR 67 HA THR 67 -6.823 1.039 -7.637 565 HB THR 67 HB THR 67 -8.537 2.401 -8.856 566 HG1 THR 67 HG1 THR 67 -6.398 1.929 -9.745 567 HG21 THR 67 1HG2 THR 67 -7.045 4.841 -7.819 568 HG22 THR 67 2HG2 THR 67 -8.676 4.360 -7.339 569 HG23 THR 67 3HG2 THR 67 -8.347 4.849 -9.004 570 H VAL 68 H VAL 68 -4.656 1.220 -7.364 571 HA VAL 68 HA VAL 68 -3.456 2.952 -5.432 572 HB VAL 68 HB VAL 68 -2.101 1.285 -7.612 573 HG11 VAL 68 1HG1 VAL 68 -0.036 1.500 -6.255 574 HG12 VAL 68 2HG1 VAL 68 -0.876 2.583 -5.143 575 HG13 VAL 68 3HG1 VAL 68 -0.603 3.076 -6.815 576 HG21 VAL 68 1HG2 VAL 68 -1.669 -0.359 -5.814 577 HG22 VAL 68 2HG2 VAL 68 -3.398 -0.115 -6.061 578 HG23 VAL 68 3HG2 VAL 68 -2.590 0.632 -4.680 579 H LYS 69 H LYS 69 -3.470 5.053 -5.786 580 HA LYS 69 HA LYS 69 -3.363 6.426 -8.271 581 HB2 LYS 69 2HB LYS 69 -2.632 7.484 -5.497 582 HB3 LYS 69 3HB LYS 69 -3.100 8.453 -6.893 583 HG2 LYS 69 2HG LYS 69 -4.905 6.467 -5.472 584 HG3 LYS 69 3HG LYS 69 -4.905 8.206 -5.188 585 HD2 LYS 69 2HD LYS 69 -5.518 6.918 -7.882 586 HD3 LYS 69 3HD LYS 69 -6.742 7.403 -6.705 587 HE2 LYS 69 2HE LYS 69 -5.844 9.753 -6.835 588 HE3 LYS 69 3HE LYS 69 -4.793 9.224 -8.153 589 HZ1 LYS 69 1HZ LYS 69 -7.759 9.085 -8.148 590 HZ2 LYS 69 2HZ LYS 69 -6.746 8.612 -9.422 591 HZ3 LYS 69 3HZ LYS 69 -6.827 10.234 -8.962 592 H ARG 70 H ARG 70 -0.997 5.924 -5.688 593 HA ARG 70 HA ARG 70 1.254 5.654 -7.444 594 HB2 ARG 70 2HB ARG 70 2.540 7.604 -6.676 595 HB3 ARG 70 3HB ARG 70 1.043 8.137 -7.432 596 HG2 ARG 70 2HG ARG 70 0.040 8.518 -5.208 597 HG3 ARG 70 3HG ARG 70 1.528 7.961 -4.438 598 HD2 ARG 70 2HD ARG 70 2.757 9.855 -5.483 599 HD3 ARG 70 3HD ARG 70 1.243 10.415 -6.212 600 HE ARG 70 HE ARG 70 1.169 10.066 -3.348 601 HH11 ARG 70 1HH1 ARG 70 1.806 12.397 -5.896 602 HH12 ARG 70 2HH1 ARG 70 1.543 13.762 -4.861 603 HH21 ARG 70 1HH2 ARG 70 0.826 11.818 -2.014 604 HH22 ARG 70 2HH2 ARG 70 0.986 13.431 -2.644 605 H ILE 71 H ILE 71 3.259 5.284 -6.191 606 HA ILE 71 HA ILE 71 2.816 4.380 -3.399 607 HB ILE 71 HB ILE 71 4.572 3.060 -5.532 608 HG12 ILE 71 2HG1 ILE 71 2.029 2.150 -4.106 609 HG13 ILE 71 3HG1 ILE 71 2.198 2.515 -5.815 610 HG21 ILE 71 1HG2 ILE 71 5.155 1.387 -3.812 611 HG22 ILE 71 2HG2 ILE 71 4.256 2.307 -2.604 612 HG23 ILE 71 3HG2 ILE 71 5.703 3.000 -3.342 613 HD11 ILE 71 1HD1 ILE 71 2.034 0.152 -5.452 614 HD12 ILE 71 2HD1 ILE 71 3.418 0.175 -4.361 615 HD13 ILE 71 3HD1 ILE 71 3.635 0.546 -6.075 616 H THR 72 H THR 72 3.775 5.865 -2.163 617 HA THR 72 HA THR 72 6.090 7.403 -3.081 618 HB THR 72 HB THR 72 4.350 7.743 -0.578 619 HG1 THR 72 HG1 THR 72 3.076 9.005 -1.782 620 HG21 THR 72 1HG2 THR 72 5.293 10.014 -0.454 621 HG22 THR 72 2HG2 THR 72 6.284 9.711 -1.880 622 HG23 THR 72 3HG2 THR 72 6.600 8.826 -0.387 623 H ARG 73 H ARG 73 7.945 6.204 -2.768 624 HA ARG 73 HA ARG 73 8.456 4.629 -0.384 625 HB2 ARG 73 2HB ARG 73 9.435 3.989 -2.581 626 HB3 ARG 73 3HB ARG 73 10.334 5.502 -2.632 627 HG2 ARG 73 2HG ARG 73 11.631 4.797 -0.635 628 HG3 ARG 73 3HG ARG 73 10.725 3.283 -0.587 629 HD2 ARG 73 2HD ARG 73 11.612 2.744 -2.865 630 HD3 ARG 73 3HD ARG 73 12.591 4.210 -2.795 631 HE ARG 73 HE ARG 73 12.898 2.028 -0.812 632 HH11 ARG 73 1HH1 ARG 73 14.331 4.201 -3.174 633 HH12 ARG 73 2HH1 ARG 73 15.957 3.720 -2.809 634 HH21 ARG 73 1HH2 ARG 73 15.044 1.350 -0.391 635 HH22 ARG 73 2HH2 ARG 73 16.364 2.107 -1.236 636 H THR 74 H THR 74 9.408 5.358 1.490 637 HA THR 74 HA THR 74 10.458 8.075 1.674 638 HB THR 74 HB THR 74 9.114 7.015 3.547 639 HG1 THR 74 HG1 THR 74 10.456 8.817 3.924 640 HG21 THR 74 1HG2 THR 74 11.661 5.449 4.126 641 HG22 THR 74 2HG2 THR 74 10.151 4.746 3.538 642 HG23 THR 74 3HG2 THR 74 10.219 5.502 5.132 643 H VAL 75 H VAL 75 12.636 8.564 2.229 644 HA VAL 75 HA VAL 75 14.643 6.442 1.705 645 HB VAL 75 HB VAL 75 14.456 8.164 -0.147 646 HG11 VAL 75 1HG1 VAL 75 15.600 10.124 1.871 647 HG12 VAL 75 2HG1 VAL 75 13.977 10.173 1.181 648 HG13 VAL 75 3HG1 VAL 75 15.381 10.418 0.142 649 HG21 VAL 75 1HG2 VAL 75 16.499 6.843 0.118 650 HG22 VAL 75 2HG2 VAL 75 17.151 8.032 1.248 651 HG23 VAL 75 3HG2 VAL 75 16.886 8.471 -0.442 652 H GLY 76 H GLY 76 16.498 6.454 3.051 653 HA2 GLY 76 2HA GLY 76 16.083 7.249 5.744 654 HA3 GLY 76 3HA GLY 76 17.574 6.609 5.073 655 H SER 77 H SER 77 18.171 8.543 3.180 656 HA SER 77 HA SER 77 18.269 11.168 4.475 657 HB2 SER 77 2HB SER 77 20.289 9.893 5.292 658 HB3 SER 77 3HB SER 77 20.822 9.720 3.618 659 HG SER 77 HG SER 77 21.692 11.607 3.864 660 H LEU 78 H LEU 78 19.434 12.766 2.916 661 HA LEU 78 HA LEU 78 19.053 12.180 0.080 662 HB2 LEU 78 2HB LEU 78 17.348 14.159 -0.058 663 HB3 LEU 78 3HB LEU 78 16.777 12.590 0.468 664 HG LEU 78 HG LEU 78 16.997 13.471 2.900 665 HD11 LEU 78 1HD1 LEU 78 16.882 15.888 3.260 666 HD12 LEU 78 2HD1 LEU 78 17.136 16.169 1.536 667 HD13 LEU 78 3HD1 LEU 78 18.404 15.419 2.504 668 HD21 LEU 78 1HD2 LEU 78 14.810 14.566 2.876 669 HD22 LEU 78 2HD2 LEU 78 14.822 13.155 1.822 670 HD23 LEU 78 3HD2 LEU 78 14.913 14.774 1.124 671 H GLU 79 H GLU 79 21.254 13.062 1.821 672 HA GLU 79 HA GLU 79 21.934 15.666 0.592 673 HB2 GLU 79 2HB GLU 79 22.949 16.342 2.825 674 HB3 GLU 79 3HB GLU 79 21.196 16.268 2.786 675 HG2 GLU 79 2HG GLU 79 21.895 15.384 4.885 676 HG3 GLU 79 3HG GLU 79 21.308 14.035 3.921 677 H HIS 80 H HIS 80 24.279 16.210 1.081 678 HA HIS 80 HA HIS 80 26.068 13.979 1.685 679 HB2 HIS 80 2HB HIS 80 27.664 14.622 -0.128 680 HB3 HIS 80 3HB HIS 80 26.135 14.063 -0.792 681 HD1 HIS 80 HD1 HIS 80 28.425 16.957 -0.736 682 HD2 HIS 80 HD2 HIS 80 24.536 16.168 -1.952 683 HE1 HIS 80 HE1 HIS 80 27.747 18.919 -2.144 684 HE2 HIS 80 HE2 HIS 80 25.345 18.483 -2.740 685 H HIS 81 H HIS 81 26.723 14.755 3.596 686 HA HIS 81 HA HIS 81 26.635 17.466 4.368 687 HB2 HIS 81 2HB HIS 81 27.698 16.738 6.484 688 HB3 HIS 81 3HB HIS 81 26.393 15.653 6.019 689 HD1 HIS 81 HD1 HIS 81 27.025 13.250 5.339 690 HD2 HIS 81 HD2 HIS 81 30.277 15.556 6.517 691 HE1 HIS 81 HE1 HIS 81 28.919 11.639 5.684 692 HE2 HIS 81 HE2 HIS 81 30.908 13.091 6.140 693 H HIS 82 H HIS 82 28.156 19.036 4.522 694 HA HIS 82 HA HIS 82 30.709 18.791 3.203 695 HB2 HIS 82 2HB HIS 82 29.626 21.069 4.941 696 HB3 HIS 82 3HB HIS 82 31.021 21.170 3.866 697 HD1 HIS 82 HD1 HIS 82 28.296 22.874 3.747 698 HD2 HIS 82 HD2 HIS 82 29.380 19.745 1.238 699 HE1 HIS 82 HE1 HIS 82 26.965 23.207 1.640 700 HE2 HIS 82 HE2 HIS 82 27.681 21.330 0.129 701 H HIS 83 H HIS 83 32.721 19.468 4.427 702 HA HIS 83 HA HIS 83 34.416 18.631 5.600 703 HB2 HIS 83 2HB HIS 83 34.481 18.956 8.007 704 HB3 HIS 83 3HB HIS 83 33.611 20.295 7.279 705 HD1 HIS 83 HD1 HIS 83 31.296 20.779 8.175 706 HD2 HIS 83 HD2 HIS 83 32.714 17.090 9.469 707 HE1 HIS 83 HE1 HIS 83 29.648 19.985 9.887 708 HE2 HIS 83 HE2 HIS 83 30.564 17.791 10.704 709 H HIS 84 H HIS 84 35.092 16.955 7.438 710 HA HIS 84 HA HIS 84 33.506 14.464 7.178 711 HB2 HIS 84 2HB HIS 84 36.543 14.661 6.850 712 HB3 HIS 84 3HB HIS 84 35.604 13.175 6.810 713 HD1 HIS 84 HD1 HIS 84 37.212 15.402 4.592 714 HD2 HIS 84 HD2 HIS 84 33.556 13.436 4.512 715 HE1 HIS 84 HE1 HIS 84 36.513 15.376 2.185 716 HE2 HIS 84 HE2 HIS 84 34.213 14.374 2.203 717 H HIS 85 H HIS 85 33.755 13.002 8.937 718 HA HIS 85 HA HIS 85 34.404 14.239 11.489 719 HB2 HIS 85 2HB HIS 85 33.183 11.531 10.793 720 HB3 HIS 85 3HB HIS 85 33.511 12.040 12.442 721 HD1 HIS 85 HD1 HIS 85 31.509 12.919 13.578 722 HD2 HIS 85 HD2 HIS 85 31.339 13.623 9.485 723 HE1 HIS 85 HE1 HIS 85 29.248 13.920 13.158 724 HE2 HIS 85 HE2 HIS 85 29.222 14.452 10.705 Start of MODEL 16 1 H1 MET 1 1H MET 1 -24.419 -4.802 4.595 2 H2 MET 1 2H MET 1 -25.070 -3.332 5.083 3 H3 MET 1 3H MET 1 -25.541 -4.755 5.856 4 HA MET 1 HA MET 1 -24.044 -3.564 7.246 5 HB2 MET 1 2HB MET 1 -23.927 -6.023 7.309 6 HB3 MET 1 3HB MET 1 -22.799 -6.038 5.962 7 HG2 MET 1 2HG MET 1 -21.101 -4.952 7.347 8 HG3 MET 1 3HG MET 1 -22.238 -4.842 8.686 9 HE1 MET 1 1HE MET 1 -23.716 -7.696 8.554 10 HE2 MET 1 2HE MET 1 -23.148 -6.932 10.041 11 HE3 MET 1 3HE MET 1 -22.710 -8.602 9.677 12 HA PRO 2 HA PRO 2 -21.119 -0.929 4.923 13 HB2 PRO 2 2HB PRO 2 -19.969 -0.371 7.649 14 HB3 PRO 2 3HB PRO 2 -20.568 0.767 6.422 15 HG2 PRO 2 2HG PRO 2 -21.981 0.281 8.634 16 HG3 PRO 2 3HG PRO 2 -22.792 0.518 7.067 17 HD2 PRO 2 2HD PRO 2 -22.226 -2.058 8.533 18 HD3 PRO 2 3HD PRO 2 -23.686 -1.559 7.646 19 H SER 3 H SER 3 -19.668 -2.118 3.831 20 HA SER 3 HA SER 3 -17.900 -4.056 5.065 21 HB2 SER 3 2HB SER 3 -18.081 -3.106 2.167 22 HB3 SER 3 3HB SER 3 -17.181 -4.515 2.738 23 HG SER 3 HG SER 3 -18.963 -5.608 2.710 24 H GLU 4 H GLU 4 -17.665 -0.965 5.438 25 HA GLU 4 HA GLU 4 -15.454 0.178 4.335 26 HB2 GLU 4 2HB GLU 4 -15.389 1.618 6.378 27 HB3 GLU 4 3HB GLU 4 -17.019 1.418 5.738 28 HG2 GLU 4 2HG GLU 4 -17.448 -0.340 7.450 29 HG3 GLU 4 3HG GLU 4 -15.844 -0.048 8.119 30 H GLU 5 H GLU 5 -15.526 -2.127 7.033 31 HA GLU 5 HA GLU 5 -12.758 -1.863 7.745 32 HB2 GLU 5 2HB GLU 5 -14.785 -4.019 8.441 33 HB3 GLU 5 3HB GLU 5 -13.218 -3.811 9.220 34 HG2 GLU 5 2HG GLU 5 -15.418 -1.726 9.218 35 HG3 GLU 5 3HG GLU 5 -15.160 -2.886 10.519 36 H GLU 6 H GLU 6 -14.671 -4.066 5.767 37 HA GLU 6 HA GLU 6 -12.551 -5.826 5.021 38 HB2 GLU 6 2HB GLU 6 -14.928 -6.505 4.868 39 HB3 GLU 6 3HB GLU 6 -15.214 -5.288 3.628 40 HG2 GLU 6 2HG GLU 6 -13.653 -6.462 2.116 41 HG3 GLU 6 3HG GLU 6 -13.338 -7.664 3.364 42 H GLU 7 H GLU 7 -13.558 -2.655 3.962 43 HA GLU 7 HA GLU 7 -12.389 -2.673 1.398 44 HB2 GLU 7 2HB GLU 7 -12.765 -0.276 3.243 45 HB3 GLU 7 3HB GLU 7 -12.326 -0.188 1.542 46 HG2 GLU 7 2HG GLU 7 -14.966 -0.967 2.768 47 HG3 GLU 7 3HG GLU 7 -14.626 0.274 1.568 48 H LYS 8 H LYS 8 -11.010 -1.635 4.583 49 HA LYS 8 HA LYS 8 -8.439 -1.023 3.572 50 HB2 LYS 8 2HB LYS 8 -9.253 -1.829 6.386 51 HB3 LYS 8 3HB LYS 8 -7.620 -1.347 5.954 52 HG2 LYS 8 2HG LYS 8 -8.399 0.668 6.738 53 HG3 LYS 8 3HG LYS 8 -8.820 0.838 5.036 54 HD2 LYS 8 2HD LYS 8 -10.692 1.583 6.343 55 HD3 LYS 8 3HD LYS 8 -11.154 0.050 5.609 56 HE2 LYS 8 2HE LYS 8 -11.894 0.159 7.941 57 HE3 LYS 8 3HE LYS 8 -10.697 -1.118 7.730 58 HZ1 LYS 8 1HZ LYS 8 -10.132 1.587 8.822 59 HZ2 LYS 8 2HZ LYS 8 -9.035 0.311 8.703 60 HZ3 LYS 8 3HZ LYS 8 -10.355 0.195 9.748 61 H ARG 9 H ARG 9 -9.876 -4.108 4.425 62 HA ARG 9 HA ARG 9 -7.533 -5.718 4.431 63 HB2 ARG 9 2HB ARG 9 -10.336 -6.491 3.505 64 HB3 ARG 9 3HB ARG 9 -9.036 -7.624 3.866 65 HG2 ARG 9 2HG ARG 9 -9.062 -6.922 6.221 66 HG3 ARG 9 3HG ARG 9 -10.345 -5.758 5.872 67 HD2 ARG 9 2HD ARG 9 -11.801 -7.681 5.146 68 HD3 ARG 9 3HD ARG 9 -10.524 -8.789 5.669 69 HE ARG 9 HE ARG 9 -10.925 -7.354 7.890 70 HH11 ARG 9 1HH1 ARG 9 -13.260 -8.959 5.795 71 HH12 ARG 9 2HH1 ARG 9 -14.392 -9.240 7.080 72 HH21 ARG 9 1HH2 ARG 9 -12.401 -7.733 9.558 73 HH22 ARG 9 2HH2 ARG 9 -13.899 -8.540 9.216 74 H GLN 10 H GLN 10 -9.739 -4.735 1.835 75 HA GLN 10 HA GLN 10 -8.377 -5.994 -0.325 76 HB2 GLN 10 2HB GLN 10 -10.316 -3.631 -0.340 77 HB3 GLN 10 3HB GLN 10 -9.830 -4.554 -1.763 78 HG2 GLN 10 2HG GLN 10 -10.926 -6.555 -0.900 79 HG3 GLN 10 3HG GLN 10 -11.295 -5.736 0.617 80 HE21 GLN 10 1HE2 GLN 10 -12.952 -4.230 0.675 81 HE22 GLN 10 2HE2 GLN 10 -14.116 -4.052 -0.587 82 H VAL 11 H VAL 11 -8.113 -2.805 1.198 83 HA VAL 11 HA VAL 11 -6.711 -1.462 -0.869 84 HB VAL 11 HB VAL 11 -6.944 -0.818 2.117 85 HG11 VAL 11 1HG1 VAL 11 -4.931 0.276 1.195 86 HG12 VAL 11 2HG1 VAL 11 -6.180 1.460 1.574 87 HG13 VAL 11 3HG1 VAL 11 -5.898 0.980 -0.099 88 HG21 VAL 11 1HG2 VAL 11 -8.603 0.846 1.414 89 HG22 VAL 11 2HG2 VAL 11 -9.072 -0.753 0.847 90 HG23 VAL 11 3HG2 VAL 11 -8.365 0.400 -0.277 91 H LYS 12 H LYS 12 -5.537 -2.920 2.215 92 HA LYS 12 HA LYS 12 -2.785 -2.361 1.780 93 HB2 LYS 12 2HB LYS 12 -3.991 -4.577 3.486 94 HB3 LYS 12 3HB LYS 12 -2.321 -4.018 3.560 95 HG2 LYS 12 2HG LYS 12 -3.200 -1.755 4.246 96 HG3 LYS 12 3HG LYS 12 -4.808 -2.478 4.359 97 HD2 LYS 12 2HD LYS 12 -2.344 -3.254 5.968 98 HD3 LYS 12 3HD LYS 12 -3.762 -2.401 6.566 99 HE2 LYS 12 2HE LYS 12 -3.642 -5.278 5.620 100 HE3 LYS 12 3HE LYS 12 -3.866 -4.712 7.276 101 HZ1 LYS 12 1HZ LYS 12 -5.938 -5.399 6.254 102 HZ2 LYS 12 2HZ LYS 12 -5.758 -4.242 5.042 103 HZ3 LYS 12 3HZ LYS 12 -5.972 -3.758 6.646 104 H GLN 13 H GLN 13 -4.864 -5.059 0.877 105 HA GLN 13 HA GLN 13 -2.851 -6.851 -0.008 106 HB2 GLN 13 2HB GLN 13 -5.124 -7.648 0.430 107 HB3 GLN 13 3HB GLN 13 -5.785 -6.592 -0.815 108 HG2 GLN 13 2HG GLN 13 -4.565 -7.886 -2.547 109 HG3 GLN 13 3HG GLN 13 -3.923 -8.941 -1.289 110 HE21 GLN 13 1HE2 GLN 13 -7.247 -7.743 -1.286 111 HE22 GLN 13 2HE2 GLN 13 -7.977 -9.273 -1.608 112 H VAL 14 H VAL 14 -4.925 -4.568 -1.865 113 HA VAL 14 HA VAL 14 -3.726 -4.930 -4.378 114 HB VAL 14 HB VAL 14 -5.200 -2.490 -3.255 115 HG11 VAL 14 1HG1 VAL 14 -4.523 -3.071 -6.166 116 HG12 VAL 14 2HG1 VAL 14 -3.825 -1.787 -5.175 117 HG13 VAL 14 3HG1 VAL 14 -5.540 -1.752 -5.583 118 HG21 VAL 14 1HG2 VAL 14 -7.154 -3.342 -4.499 119 HG22 VAL 14 2HG2 VAL 14 -6.573 -4.558 -3.361 120 HG23 VAL 14 3HG2 VAL 14 -6.208 -4.720 -5.078 121 H ALA 15 H ALA 15 -2.894 -2.808 -1.675 122 HA ALA 15 HA ALA 15 -0.927 -1.216 -2.934 123 HB1 ALA 15 1HB ALA 15 -1.237 -1.943 -0.001 124 HB2 ALA 15 2HB ALA 15 -2.041 -0.608 -0.823 125 HB3 ALA 15 3HB ALA 15 -0.287 -0.591 -0.649 126 H LYS 16 H LYS 16 -0.685 -4.257 -1.046 127 HA LYS 16 HA LYS 16 2.177 -4.374 -1.122 128 HB2 LYS 16 2HB LYS 16 2.046 -6.548 -0.116 129 HB3 LYS 16 3HB LYS 16 0.821 -5.553 0.645 130 HG2 LYS 16 2HG LYS 16 -0.934 -6.673 -0.568 131 HG3 LYS 16 3HG LYS 16 0.230 -7.556 -1.554 132 HD2 LYS 16 2HD LYS 16 -0.089 -7.863 1.461 133 HD3 LYS 16 3HD LYS 16 -0.788 -8.942 0.253 134 HE2 LYS 16 2HE LYS 16 1.511 -9.501 -0.542 135 HE3 LYS 16 3HE LYS 16 2.175 -8.467 0.728 136 HZ1 LYS 16 1HZ LYS 16 2.152 -10.803 1.387 137 HZ2 LYS 16 2HZ LYS 16 0.473 -10.860 1.191 138 HZ3 LYS 16 3HZ LYS 16 1.146 -9.876 2.384 139 H GLU 17 H GLU 17 -0.405 -5.550 -3.178 140 HA GLU 17 HA GLU 17 1.058 -7.423 -4.725 141 HB2 GLU 17 2HB GLU 17 -1.480 -5.854 -5.355 142 HB3 GLU 17 3HB GLU 17 -0.804 -7.055 -6.455 143 HG2 GLU 17 2HG GLU 17 -1.095 -8.813 -4.786 144 HG3 GLU 17 3HG GLU 17 -1.682 -7.639 -3.612 145 H LYS 18 H LYS 18 0.472 -3.920 -5.104 146 HA LYS 18 HA LYS 18 1.836 -3.744 -7.629 147 HB2 LYS 18 2HB LYS 18 1.280 -1.452 -5.709 148 HB3 LYS 18 3HB LYS 18 1.646 -1.329 -7.426 149 HG2 LYS 18 2HG LYS 18 -0.863 -2.380 -6.128 150 HG3 LYS 18 3HG LYS 18 -0.699 -0.956 -7.149 151 HD2 LYS 18 2HD LYS 18 -0.295 -2.384 -9.115 152 HD3 LYS 18 3HD LYS 18 -0.324 -3.831 -8.099 153 HE2 LYS 18 2HE LYS 18 -2.696 -3.286 -7.485 154 HE3 LYS 18 3HE LYS 18 -2.645 -1.955 -8.644 155 HZ1 LYS 18 1HZ LYS 18 -3.650 -4.007 -9.527 156 HZ2 LYS 18 2HZ LYS 18 -2.172 -4.802 -9.338 157 HZ3 LYS 18 3HZ LYS 18 -2.303 -3.511 -10.416 158 H LEU 19 H LEU 19 2.817 -3.472 -4.256 159 HA LEU 19 HA LEU 19 5.537 -2.738 -4.745 160 HB2 LEU 19 2HB LEU 19 4.131 -4.063 -2.403 161 HB3 LEU 19 3HB LEU 19 5.872 -3.819 -2.397 162 HG LEU 19 HG LEU 19 3.796 -1.595 -2.600 163 HD11 LEU 19 1HD1 LEU 19 5.595 -2.344 -0.273 164 HD12 LEU 19 2HD1 LEU 19 3.854 -2.622 -0.365 165 HD13 LEU 19 3HD1 LEU 19 4.479 -0.976 -0.339 166 HD21 LEU 19 1HD2 LEU 19 5.719 -0.068 -2.334 167 HD22 LEU 19 2HD2 LEU 19 5.828 -1.013 -3.815 168 HD23 LEU 19 3HD2 LEU 19 6.826 -1.443 -2.422 169 H LEU 20 H LEU 20 3.809 -5.795 -4.770 170 HA LEU 20 HA LEU 20 6.146 -7.469 -5.091 171 HB2 LEU 20 2HB LEU 20 3.168 -8.028 -5.409 172 HB3 LEU 20 3HB LEU 20 4.402 -9.258 -5.635 173 HG LEU 20 HG LEU 20 4.018 -7.750 -3.017 174 HD11 LEU 20 1HD1 LEU 20 2.917 -10.489 -3.730 175 HD12 LEU 20 2HD1 LEU 20 1.978 -9.013 -3.499 176 HD13 LEU 20 3HD1 LEU 20 2.852 -9.715 -2.142 177 HD21 LEU 20 1HD2 LEU 20 6.260 -8.691 -3.293 178 HD22 LEU 20 2HD2 LEU 20 5.576 -10.284 -3.627 179 HD23 LEU 20 3HD2 LEU 20 5.371 -9.549 -2.035 180 H GLU 21 H GLU 21 4.127 -5.582 -7.219 181 HA GLU 21 HA GLU 21 4.836 -6.877 -9.684 182 HB2 GLU 21 2HB GLU 21 3.936 -4.004 -9.169 183 HB3 GLU 21 3HB GLU 21 4.113 -4.719 -10.768 184 HG2 GLU 21 2HG GLU 21 2.206 -5.713 -8.642 185 HG3 GLU 21 3HG GLU 21 1.759 -4.616 -9.938 186 H GLN 22 H GLN 22 6.160 -4.219 -7.789 187 HA GLN 22 HA GLN 22 8.353 -3.602 -9.554 188 HB2 GLN 22 2HB GLN 22 7.921 -2.871 -6.620 189 HB3 GLN 22 3HB GLN 22 9.080 -2.114 -7.715 190 HG2 GLN 22 2HG GLN 22 7.287 -1.153 -9.043 191 HG3 GLN 22 3HG GLN 22 6.077 -2.045 -8.117 192 HE21 GLN 22 1HE2 GLN 22 5.633 -1.406 -5.987 193 HE22 GLN 22 2HE2 GLN 22 6.064 0.157 -5.393 194 H SER 23 H SER 23 7.841 -5.626 -6.710 195 HA SER 23 HA SER 23 10.415 -6.938 -6.958 196 HB2 SER 23 2HB SER 23 11.086 -5.010 -5.627 197 HB3 SER 23 3HB SER 23 9.737 -5.237 -4.514 198 HG SER 23 HG SER 23 10.755 -6.892 -3.595 199 HA PRO 24 HA PRO 24 7.115 -9.790 -5.327 200 HB2 PRO 24 2HB PRO 24 7.522 -11.864 -7.050 201 HB3 PRO 24 3HB PRO 24 6.582 -10.429 -7.507 202 HG2 PRO 24 2HG PRO 24 9.417 -11.113 -8.193 203 HG3 PRO 24 3HG PRO 24 8.148 -10.406 -9.218 204 HD2 PRO 24 2HD PRO 24 10.136 -8.919 -7.993 205 HD3 PRO 24 3HD PRO 24 8.557 -8.259 -8.469 206 H ASN 25 H ASN 25 10.548 -10.022 -5.739 207 HA ASN 25 HA ASN 25 10.924 -12.622 -4.521 208 HB2 ASN 25 2HB ASN 25 12.934 -10.448 -5.271 209 HB3 ASN 25 3HB ASN 25 13.380 -12.018 -4.618 210 HD21 ASN 25 1HD2 ASN 25 10.795 -11.578 -7.020 211 HD22 ASN 25 2HD2 ASN 25 11.642 -12.336 -8.312 212 H SER 26 H SER 26 10.537 -9.409 -3.357 213 HA SER 26 HA SER 26 11.750 -10.014 -0.735 214 HB2 SER 26 2HB SER 26 10.711 -7.364 -1.844 215 HB3 SER 26 3HB SER 26 11.563 -7.591 -0.312 216 HG SER 26 HG SER 26 12.980 -8.682 -2.317 217 H LYS 27 H LYS 27 10.529 -10.068 1.118 218 HA LYS 27 HA LYS 27 7.700 -10.592 0.938 219 HB2 LYS 27 2HB LYS 27 9.738 -10.632 3.187 220 HB3 LYS 27 3HB LYS 27 8.026 -10.732 3.555 221 HG2 LYS 27 2HG LYS 27 8.886 -12.944 3.591 222 HG3 LYS 27 3HG LYS 27 7.882 -12.805 2.160 223 HD2 LYS 27 2HD LYS 27 10.868 -12.423 1.870 224 HD3 LYS 27 3HD LYS 27 10.247 -14.054 2.107 225 HE2 LYS 27 2HE LYS 27 9.464 -12.171 -0.144 226 HE3 LYS 27 3HE LYS 27 10.540 -13.557 -0.277 227 HZ1 LYS 27 1HZ LYS 27 7.661 -13.670 0.440 228 HZ2 LYS 27 2HZ LYS 27 8.691 -14.999 0.306 229 HZ3 LYS 27 3HZ LYS 27 8.324 -14.076 -1.059 230 H VAL 28 H VAL 28 6.163 -9.065 1.032 231 HA VAL 28 HA VAL 28 6.805 -6.360 2.009 232 HB VAL 28 HB VAL 28 4.386 -7.319 0.396 233 HG11 VAL 28 1HG1 VAL 28 3.987 -4.909 -0.019 234 HG12 VAL 28 2HG1 VAL 28 5.327 -4.502 1.057 235 HG13 VAL 28 3HG1 VAL 28 3.890 -5.303 1.700 236 HG21 VAL 28 1HG2 VAL 28 6.466 -7.553 -0.910 237 HG22 VAL 28 2HG2 VAL 28 6.880 -5.870 -0.581 238 HG23 VAL 28 3HG2 VAL 28 5.461 -6.255 -1.561 239 H GLN 29 H GLN 29 6.370 -6.135 4.103 240 HA GLN 29 HA GLN 29 4.005 -7.278 5.418 241 HB2 GLN 29 2HB GLN 29 6.360 -5.638 6.487 242 HB3 GLN 29 3HB GLN 29 5.077 -6.320 7.483 243 HG2 GLN 29 2HG GLN 29 7.098 -7.888 5.850 244 HG3 GLN 29 3HG GLN 29 7.095 -7.699 7.603 245 HE21 GLN 29 1HE2 GLN 29 5.556 -9.272 4.892 246 HE22 GLN 29 2HE2 GLN 29 4.630 -10.401 5.811 247 H VAL 30 H VAL 30 2.826 -5.646 6.921 248 HA VAL 30 HA VAL 30 2.540 -2.982 5.641 249 HB VAL 30 HB VAL 30 0.649 -4.324 7.641 250 HG11 VAL 30 1HG1 VAL 30 0.240 -1.821 5.946 251 HG12 VAL 30 2HG1 VAL 30 0.578 -1.845 7.678 252 HG13 VAL 30 3HG1 VAL 30 -0.926 -2.528 7.070 253 HG21 VAL 30 1HG2 VAL 30 0.676 -5.573 5.507 254 HG22 VAL 30 2HG2 VAL 30 0.324 -4.089 4.617 255 HG23 VAL 30 3HG2 VAL 30 -0.867 -4.749 5.741 256 H ARG 31 H ARG 31 3.035 -1.147 6.830 257 HA ARG 31 HA ARG 31 4.265 -1.539 9.496 258 HB2 ARG 31 2HB ARG 31 5.732 -0.563 7.745 259 HB3 ARG 31 3HB ARG 31 4.583 0.750 7.496 260 HG2 ARG 31 2HG ARG 31 6.481 1.501 8.848 261 HG3 ARG 31 3HG ARG 31 4.990 1.558 9.793 262 HD2 ARG 31 2HD ARG 31 5.627 -0.651 10.820 263 HD3 ARG 31 3HD ARG 31 7.158 -0.572 9.945 264 HE ARG 31 HE ARG 31 6.367 1.507 11.891 265 HH11 ARG 31 1HH1 ARG 31 8.711 -0.912 10.848 266 HH12 ARG 31 2HH1 ARG 31 9.890 -0.420 12.025 267 HH21 ARG 31 1HH2 ARG 31 7.926 2.124 13.401 268 HH22 ARG 31 2HH2 ARG 31 9.444 1.287 13.457 269 H ARG 32 H ARG 32 2.198 0.788 7.729 270 HA ARG 32 HA ARG 32 0.487 1.257 10.025 271 HB2 ARG 32 2HB ARG 32 2.421 2.820 10.376 272 HB3 ARG 32 3HB ARG 32 2.135 3.532 8.795 273 HG2 ARG 32 2HG ARG 32 1.286 4.965 10.591 274 HG3 ARG 32 3HG ARG 32 -0.037 4.407 9.565 275 HD2 ARG 32 2HD ARG 32 -0.715 2.781 11.234 276 HD3 ARG 32 3HD ARG 32 0.707 3.129 12.222 277 HE ARG 32 HE ARG 32 -0.500 5.528 12.054 278 HH11 ARG 32 1HH1 ARG 32 -1.776 2.381 13.004 279 HH12 ARG 32 2HH1 ARG 32 -2.948 3.063 14.086 280 HH21 ARG 32 1HH2 ARG 32 -1.998 6.387 13.525 281 HH22 ARG 32 2HH2 ARG 32 -3.073 5.322 14.380 282 H VAL 33 H VAL 33 -1.513 2.140 9.397 283 HA VAL 33 HA VAL 33 -2.001 2.586 6.493 284 HB VAL 33 HB VAL 33 -3.921 1.366 8.553 285 HG11 VAL 33 1HG1 VAL 33 -4.334 1.811 5.565 286 HG12 VAL 33 2HG1 VAL 33 -5.135 2.695 6.866 287 HG13 VAL 33 3HG1 VAL 33 -5.448 0.973 6.649 288 HG21 VAL 33 1HG2 VAL 33 -2.130 -0.194 7.931 289 HG22 VAL 33 2HG2 VAL 33 -2.497 0.037 6.218 290 HG23 VAL 33 3HG2 VAL 33 -3.682 -0.724 7.283 291 H GLN 34 H GLN 34 -2.524 4.670 6.143 292 HA GLN 34 HA GLN 34 -3.853 6.244 8.281 293 HB2 GLN 34 2HB GLN 34 -1.853 7.158 6.158 294 HB3 GLN 34 3HB GLN 34 -2.729 8.250 7.229 295 HG2 GLN 34 2HG GLN 34 -0.774 6.105 8.120 296 HG3 GLN 34 3HG GLN 34 -0.426 7.827 8.006 297 HE21 GLN 34 1HE2 GLN 34 -2.110 5.371 9.844 298 HE22 GLN 34 2HE2 GLN 34 -2.467 6.360 11.211 299 H LYS 35 H LYS 35 -5.925 6.411 7.785 300 HA LYS 35 HA LYS 35 -6.939 6.428 5.047 301 HB2 LYS 35 2HB LYS 35 -7.990 5.321 7.240 302 HB3 LYS 35 3HB LYS 35 -8.620 6.928 7.548 303 HG2 LYS 35 2HG LYS 35 -9.216 5.203 5.121 304 HG3 LYS 35 3HG LYS 35 -10.286 5.477 6.493 305 HD2 LYS 35 2HD LYS 35 -10.478 7.857 5.892 306 HD3 LYS 35 3HD LYS 35 -9.353 7.625 4.550 307 HE2 LYS 35 2HE LYS 35 -11.656 7.667 3.738 308 HE3 LYS 35 3HE LYS 35 -10.956 6.072 3.482 309 HZ1 LYS 35 1HZ LYS 35 -12.149 5.267 5.403 310 HZ2 LYS 35 2HZ LYS 35 -13.236 5.994 4.332 311 HZ3 LYS 35 3HZ LYS 35 -12.754 6.812 5.727 312 H GLN 36 H GLN 36 -6.975 8.341 3.942 313 HA GLN 36 HA GLN 36 -7.445 10.886 5.384 314 HB2 GLN 36 2HB GLN 36 -4.953 10.299 4.620 315 HB3 GLN 36 3HB GLN 36 -5.525 10.770 3.031 316 HG2 GLN 36 2HG GLN 36 -5.405 12.505 5.520 317 HG3 GLN 36 3HG GLN 36 -4.369 12.621 4.105 318 HE21 GLN 36 1HE2 GLN 36 -7.489 13.358 5.434 319 HE22 GLN 36 2HE2 GLN 36 -8.018 14.407 4.170 320 H GLY 37 H GLY 37 -9.621 10.770 4.721 321 HA2 GLY 37 2HA GLY 37 -11.347 11.596 3.475 322 HA3 GLY 37 3HA GLY 37 -10.166 12.223 2.339 323 H ASN 38 H ASN 38 -10.180 11.346 0.353 324 HA ASN 38 HA ASN 38 -11.681 8.852 -0.147 325 HB2 ASN 38 2HB ASN 38 -10.758 11.088 -2.004 326 HB3 ASN 38 3HB ASN 38 -11.428 9.577 -2.607 327 HD21 ASN 38 1HD2 ASN 38 -12.140 12.594 -1.074 328 HD22 ASN 38 2HD2 ASN 38 -13.858 12.458 -1.126 329 H THR 39 H THR 39 -8.584 9.517 0.619 330 HA THR 39 HA THR 39 -7.464 7.378 -1.101 331 HB THR 39 HB THR 39 -5.974 9.927 -0.315 332 HG1 THR 39 HG1 THR 39 -7.449 9.254 -2.627 333 HG21 THR 39 1HG2 THR 39 -5.208 7.698 -2.248 334 HG22 THR 39 2HG2 THR 39 -4.472 7.993 -0.669 335 HG23 THR 39 3HG2 THR 39 -4.286 9.177 -1.963 336 H ILE 40 H ILE 40 -7.234 5.763 0.387 337 HA ILE 40 HA ILE 40 -6.132 6.228 3.044 338 HB ILE 40 HB ILE 40 -6.610 3.556 1.623 339 HG12 ILE 40 2HG1 ILE 40 -8.455 5.106 3.496 340 HG13 ILE 40 3HG1 ILE 40 -8.735 4.790 1.788 341 HG21 ILE 40 1HG2 ILE 40 -6.546 2.575 3.891 342 HG22 ILE 40 2HG2 ILE 40 -6.222 4.166 4.581 343 HG23 ILE 40 3HG2 ILE 40 -5.033 3.409 3.522 344 HD11 ILE 40 1HD1 ILE 40 -8.677 2.719 3.996 345 HD12 ILE 40 2HD1 ILE 40 -8.948 2.392 2.280 346 HD13 ILE 40 3HD1 ILE 40 -10.105 3.365 3.184 347 H ARG 41 H ARG 41 -4.029 6.803 3.039 348 HA ARG 41 HA ARG 41 -2.063 5.682 1.198 349 HB2 ARG 41 2HB ARG 41 -1.872 7.723 3.452 350 HB3 ARG 41 3HB ARG 41 -0.491 7.204 2.492 351 HG2 ARG 41 2HG ARG 41 -1.598 8.086 0.451 352 HG3 ARG 41 3HG ARG 41 -2.951 8.647 1.438 353 HD2 ARG 41 2HD ARG 41 -1.555 10.240 2.585 354 HD3 ARG 41 3HD ARG 41 -0.083 9.544 1.902 355 HE ARG 41 HE ARG 41 -1.622 10.396 -0.253 356 HH11 ARG 41 1HH1 ARG 41 -0.042 11.921 2.507 357 HH12 ARG 41 2HH1 ARG 41 0.214 13.426 1.680 358 HH21 ARG 41 1HH2 ARG 41 -1.219 12.348 -1.345 359 HH22 ARG 41 2HH2 ARG 41 -0.455 13.669 -0.507 360 H VAL 42 H VAL 42 -1.902 3.544 1.738 361 HA VAL 42 HA VAL 42 -1.342 2.673 4.468 362 HB VAL 42 HB VAL 42 -1.411 1.049 1.873 363 HG11 VAL 42 1HG1 VAL 42 -1.522 -0.944 3.302 364 HG12 VAL 42 2HG1 VAL 42 -1.412 0.060 4.754 365 HG13 VAL 42 3HG1 VAL 42 -0.045 -0.036 3.641 366 HG21 VAL 42 1HG2 VAL 42 -3.607 2.011 2.394 367 HG22 VAL 42 2HG2 VAL 42 -3.529 1.344 4.028 368 HG23 VAL 42 3HG2 VAL 42 -3.615 0.261 2.634 369 H GLU 43 H GLU 43 0.620 3.005 5.177 370 HA GLU 43 HA GLU 43 3.021 2.984 3.517 371 HB2 GLU 43 2HB GLU 43 2.713 3.284 6.541 372 HB3 GLU 43 3HB GLU 43 4.148 3.665 5.588 373 HG2 GLU 43 2HG GLU 43 2.914 5.472 4.436 374 HG3 GLU 43 3HG GLU 43 1.464 5.066 5.352 375 H LEU 44 H LEU 44 3.551 0.908 2.907 376 HA LEU 44 HA LEU 44 3.387 -1.293 4.867 377 HB2 LEU 44 2HB LEU 44 4.050 -1.433 1.893 378 HB3 LEU 44 3HB LEU 44 3.801 -2.791 2.973 379 HG LEU 44 HG LEU 44 1.391 -1.609 3.314 380 HD11 LEU 44 1HD1 LEU 44 2.135 -0.804 0.495 381 HD12 LEU 44 2HD1 LEU 44 1.880 0.290 1.858 382 HD13 LEU 44 3HD1 LEU 44 0.540 -0.669 1.242 383 HD21 LEU 44 1HD2 LEU 44 1.706 -3.921 2.589 384 HD22 LEU 44 2HD2 LEU 44 2.043 -3.374 0.946 385 HD23 LEU 44 3HD2 LEU 44 0.442 -3.123 1.649 386 H GLU 45 H GLU 45 5.250 -2.844 4.836 387 HA GLU 45 HA GLU 45 7.827 -1.382 4.748 388 HB2 GLU 45 2HB GLU 45 6.958 -1.892 7.022 389 HB3 GLU 45 3HB GLU 45 6.961 -3.612 6.644 390 HG2 GLU 45 2HG GLU 45 9.335 -3.705 6.567 391 HG3 GLU 45 3HG GLU 45 9.492 -1.949 6.476 392 H LEU 46 H LEU 46 8.748 -2.026 2.922 393 HA LEU 46 HA LEU 46 8.887 -4.892 2.179 394 HB2 LEU 46 2HB LEU 46 7.904 -3.162 0.558 395 HB3 LEU 46 3HB LEU 46 9.490 -2.443 0.452 396 HG LEU 46 HG LEU 46 8.961 -5.334 -0.373 397 HD11 LEU 46 1HD1 LEU 46 8.884 -2.881 -2.168 398 HD12 LEU 46 2HD1 LEU 46 7.509 -3.896 -1.725 399 HD13 LEU 46 3HD1 LEU 46 8.811 -4.565 -2.703 400 HD21 LEU 46 1HD2 LEU 46 11.210 -3.435 -1.120 401 HD22 LEU 46 2HD2 LEU 46 11.001 -5.084 -1.722 402 HD23 LEU 46 3HD2 LEU 46 11.328 -4.805 -0.014 403 H ARG 47 H ARG 47 10.853 -5.852 2.365 404 HA ARG 47 HA ARG 47 13.142 -4.227 3.291 405 HB2 ARG 47 2HB ARG 47 12.538 -7.206 3.553 406 HB3 ARG 47 3HB ARG 47 14.049 -6.465 4.079 407 HG2 ARG 47 2HG ARG 47 12.854 -5.106 5.728 408 HG3 ARG 47 3HG ARG 47 11.302 -5.718 5.151 409 HD2 ARG 47 2HD ARG 47 13.481 -7.430 6.398 410 HD3 ARG 47 3HD ARG 47 12.078 -6.805 7.263 411 HE ARG 47 HE ARG 47 10.733 -8.103 5.531 412 HH11 ARG 47 1HH1 ARG 47 13.891 -9.195 6.641 413 HH12 ARG 47 2HH1 ARG 47 13.551 -10.869 6.332 414 HH21 ARG 47 1HH2 ARG 47 10.308 -10.311 5.134 415 HH22 ARG 47 2HH2 ARG 47 11.527 -11.496 5.479 416 H THR 48 H THR 48 14.233 -3.561 1.597 417 HA THR 48 HA THR 48 14.581 -5.170 -0.833 418 HB THR 48 HB THR 48 15.364 -2.266 -0.267 419 HG1 THR 48 HG1 THR 48 13.338 -1.807 -0.484 420 HG21 THR 48 1HG2 THR 48 16.561 -3.124 -2.191 421 HG22 THR 48 2HG2 THR 48 15.280 -2.056 -2.762 422 HG23 THR 48 3HG2 THR 48 15.082 -3.803 -2.868 423 H ASN 49 H ASN 49 16.324 -6.561 -0.642 424 HA ASN 49 HA ASN 49 18.421 -7.394 -0.394 425 HB2 ASN 49 2HB ASN 49 19.189 -4.456 -0.708 426 HB3 ASN 49 3HB ASN 49 20.364 -5.767 -0.668 427 HD21 ASN 49 1HD2 ASN 49 17.909 -4.208 -2.553 428 HD22 ASN 49 2HD2 ASN 49 18.220 -5.043 -4.027 429 H GLY 50 H GLY 50 16.879 -6.693 1.993 430 HA2 GLY 50 2HA GLY 50 17.377 -7.287 4.225 431 HA3 GLY 50 3HA GLY 50 19.048 -6.792 3.999 432 H LYS 51 H LYS 51 17.843 -4.243 2.659 433 HA LYS 51 HA LYS 51 17.863 -2.569 4.999 434 HB2 LYS 51 2HB LYS 51 17.057 -1.835 2.142 435 HB3 LYS 51 3HB LYS 51 17.497 -0.711 3.426 436 HG2 LYS 51 2HG LYS 51 19.809 -1.503 3.390 437 HG3 LYS 51 3HG LYS 51 19.396 -2.746 2.203 438 HD2 LYS 51 2HD LYS 51 19.279 0.271 1.758 439 HD3 LYS 51 3HD LYS 51 20.490 -0.833 1.104 440 HE2 LYS 51 2HE LYS 51 18.667 -2.013 -0.151 441 HE3 LYS 51 3HE LYS 51 17.525 -0.798 0.432 442 HZ1 LYS 51 1HZ LYS 51 18.799 0.897 -0.713 443 HZ2 LYS 51 2HZ LYS 51 18.315 -0.302 -1.798 444 HZ3 LYS 51 3HZ LYS 51 19.913 -0.252 -1.247 445 H LYS 52 H LYS 52 16.137 -2.101 6.227 446 HA LYS 52 HA LYS 52 13.442 -2.918 5.516 447 HB2 LYS 52 2HB LYS 52 14.329 -3.248 7.796 448 HB3 LYS 52 3HB LYS 52 14.580 -1.515 7.977 449 HG2 LYS 52 2HG LYS 52 12.121 -1.167 7.815 450 HG3 LYS 52 3HG LYS 52 11.898 -2.916 7.695 451 HD2 LYS 52 2HD LYS 52 13.193 -1.478 10.049 452 HD3 LYS 52 3HD LYS 52 11.520 -2.039 10.005 453 HE2 LYS 52 2HE LYS 52 12.252 -4.359 9.858 454 HE3 LYS 52 3HE LYS 52 13.941 -3.860 9.730 455 HZ1 LYS 52 1HZ LYS 52 12.189 -3.377 12.079 456 HZ2 LYS 52 2HZ LYS 52 13.824 -2.969 11.962 457 HZ3 LYS 52 3HZ LYS 52 13.357 -4.591 11.968 458 H GLU 53 H GLU 53 12.311 -1.599 4.192 459 HA GLU 53 HA GLU 53 12.484 1.349 4.516 460 HB2 GLU 53 2HB GLU 53 12.112 -0.100 1.851 461 HB3 GLU 53 3HB GLU 53 12.297 1.635 2.112 462 HG2 GLU 53 2HG GLU 53 14.616 1.150 3.028 463 HG3 GLU 53 3HG GLU 53 14.403 -0.512 2.482 464 H ASN 54 H ASN 54 10.573 2.485 4.311 465 HA ASN 54 HA ASN 54 8.067 0.909 4.219 466 HB2 ASN 54 2HB ASN 54 8.610 3.632 5.502 467 HB3 ASN 54 3HB ASN 54 7.039 2.834 5.457 468 HD21 ASN 54 1HD2 ASN 54 7.988 0.159 6.018 469 HD22 ASN 54 2HD2 ASN 54 8.519 0.146 7.663 470 H TYR 55 H TYR 55 6.700 1.264 2.559 471 HA TYR 55 HA TYR 55 7.158 3.553 0.728 472 HB2 TYR 55 2HB TYR 55 6.035 0.759 0.174 473 HB3 TYR 55 3HB TYR 55 6.081 2.064 -1.006 474 HD1 TYR 55 HD1 TYR 55 7.995 2.320 -2.396 475 HD2 TYR 55 HD2 TYR 55 8.349 -0.023 1.163 476 HE1 TYR 55 HE1 TYR 55 10.250 1.615 -3.076 477 HE2 TYR 55 HE2 TYR 55 10.599 -0.731 0.475 478 HH TYR 55 HH TYR 55 11.957 -0.926 -1.530 479 H THR 56 H THR 56 5.617 5.050 0.914 480 HA THR 56 HA THR 56 3.004 4.512 2.058 481 HB THR 56 HB THR 56 4.117 7.103 0.868 482 HG1 THR 56 HG1 THR 56 4.117 6.151 3.564 483 HG21 THR 56 1HG2 THR 56 2.391 8.223 2.235 484 HG22 THR 56 2HG2 THR 56 1.770 6.656 2.756 485 HG23 THR 56 3HG2 THR 56 1.653 7.132 1.060 486 H VAL 57 H VAL 57 1.784 3.359 0.683 487 HA VAL 57 HA VAL 57 1.572 3.997 -2.169 488 HB VAL 57 HB VAL 57 0.284 1.704 -0.600 489 HG11 VAL 57 1HG1 VAL 57 -0.088 0.682 -2.825 490 HG12 VAL 57 2HG1 VAL 57 0.564 2.125 -3.604 491 HG13 VAL 57 3HG1 VAL 57 -0.930 2.225 -2.671 492 HG21 VAL 57 1HG2 VAL 57 2.049 0.260 -1.556 493 HG22 VAL 57 2HG2 VAL 57 2.734 1.515 -0.523 494 HG23 VAL 57 3HG2 VAL 57 2.825 1.674 -2.278 495 H GLU 58 H GLU 58 0.218 5.575 -2.584 496 HA GLU 58 HA GLU 58 -2.108 6.271 -1.023 497 HB2 GLU 58 2HB GLU 58 -1.197 7.265 -3.763 498 HB3 GLU 58 3HB GLU 58 -2.425 8.018 -2.747 499 HG2 GLU 58 2HG GLU 58 -0.663 8.495 -1.036 500 HG3 GLU 58 3HG GLU 58 0.538 7.794 -2.119 501 H VAL 59 H VAL 59 -3.767 4.814 -1.139 502 HA VAL 59 HA VAL 59 -4.660 3.819 -3.795 503 HB VAL 59 HB VAL 59 -5.311 2.650 -1.040 504 HG11 VAL 59 1HG1 VAL 59 -5.797 1.555 -3.838 505 HG12 VAL 59 2HG1 VAL 59 -7.023 2.177 -2.730 506 HG13 VAL 59 3HG1 VAL 59 -6.140 0.706 -2.325 507 HG21 VAL 59 1HG2 VAL 59 -3.736 0.824 -1.581 508 HG22 VAL 59 2HG2 VAL 59 -2.905 2.382 -1.513 509 HG23 VAL 59 3HG2 VAL 59 -3.278 1.650 -3.076 510 H GLU 60 H GLU 60 -6.375 4.882 -4.533 511 HA GLU 60 HA GLU 60 -8.012 6.583 -2.763 512 HB2 GLU 60 2HB GLU 60 -6.666 7.628 -4.584 513 HB3 GLU 60 3HB GLU 60 -7.542 6.679 -5.777 514 HG2 GLU 60 2HG GLU 60 -9.623 7.862 -5.220 515 HG3 GLU 60 3HG GLU 60 -8.794 8.779 -3.961 516 H ARG 61 H ARG 61 -10.323 6.765 -3.238 517 HA ARG 61 HA ARG 61 -11.539 4.168 -3.786 518 HB2 ARG 61 2HB ARG 61 -12.150 5.412 -1.718 519 HB3 ARG 61 3HB ARG 61 -12.762 6.748 -2.685 520 HG2 ARG 61 2HG ARG 61 -14.592 5.335 -1.838 521 HG3 ARG 61 3HG ARG 61 -14.529 5.305 -3.604 522 HD2 ARG 61 2HD ARG 61 -13.347 3.124 -3.509 523 HD3 ARG 61 3HD ARG 61 -13.448 3.155 -1.744 524 HE ARG 61 HE ARG 61 -15.964 3.348 -3.200 525 HH11 ARG 61 1HH1 ARG 61 -13.720 1.235 -1.512 526 HH12 ARG 61 2HH1 ARG 61 -14.898 -0.007 -1.255 527 HH21 ARG 61 1HH2 ARG 61 -17.488 1.719 -2.875 528 HH22 ARG 61 2HH2 ARG 61 -17.055 0.263 -2.030 529 H GLN 62 H GLN 62 -12.744 3.748 -5.540 530 HA GLN 62 HA GLN 62 -13.762 5.893 -7.276 531 HB2 GLN 62 2HB GLN 62 -11.496 5.166 -8.135 532 HB3 GLN 62 3HB GLN 62 -12.110 3.524 -8.303 533 HG2 GLN 62 2HG GLN 62 -13.795 4.368 -9.946 534 HG3 GLN 62 3HG GLN 62 -13.087 5.978 -9.799 535 HE21 GLN 62 1HE2 GLN 62 -12.536 6.042 -11.995 536 HE22 GLN 62 2HE2 GLN 62 -11.255 5.095 -12.663 537 H GLY 63 H GLY 63 -15.835 5.369 -6.597 538 HA2 GLY 63 2HA GLY 63 -17.892 4.388 -6.784 539 HA3 GLY 63 3HA GLY 63 -17.207 3.281 -7.961 540 H ASN 64 H ASN 64 -16.797 1.205 -7.356 541 HA ASN 64 HA ASN 64 -17.128 0.412 -4.510 542 HB2 ASN 64 2HB ASN 64 -17.937 -1.008 -7.078 543 HB3 ASN 64 3HB ASN 64 -17.787 -1.876 -5.556 544 HD21 ASN 64 1HD2 ASN 64 -19.541 0.717 -7.188 545 HD22 ASN 64 2HD2 ASN 64 -20.937 0.650 -6.175 546 H THR 65 H THR 65 -14.789 0.929 -6.693 547 HA THR 65 HA THR 65 -13.102 -1.378 -5.886 548 HB THR 65 HB THR 65 -11.773 -0.941 -7.969 549 HG1 THR 65 HG1 THR 65 -12.801 1.346 -8.076 550 HG21 THR 65 1HG2 THR 65 -13.550 -2.663 -8.031 551 HG22 THR 65 2HG2 THR 65 -13.390 -1.859 -9.590 552 HG23 THR 65 3HG2 THR 65 -14.727 -1.435 -8.523 553 H TRP 66 H TRP 66 -10.762 -0.858 -5.781 554 HA TRP 66 HA TRP 66 -10.152 1.910 -4.900 555 HB2 TRP 66 2HB TRP 66 -9.005 -0.758 -3.934 556 HB3 TRP 66 3HB TRP 66 -8.331 0.812 -3.512 557 HD1 TRP 66 HD1 TRP 66 -11.178 -1.537 -2.605 558 HE1 TRP 66 HE1 TRP 66 -12.449 -0.570 -0.586 559 HE3 TRP 66 HE3 TRP 66 -9.006 3.098 -2.377 560 HZ2 TRP 66 HZ2 TRP 66 -12.532 1.813 0.902 561 HZ3 TRP 66 HZ3 TRP 66 -9.742 4.664 -0.625 562 HH2 TRP 66 HH2 TRP 66 -11.473 4.031 0.984 563 H THR 67 H THR 67 -8.406 2.875 -5.839 564 HA THR 67 HA THR 67 -6.920 1.429 -7.952 565 HB THR 67 HB THR 67 -8.636 2.743 -9.071 566 HG1 THR 67 HG1 THR 67 -6.638 2.787 -10.109 567 HG21 THR 67 1HG2 THR 67 -9.165 4.414 -7.318 568 HG22 THR 67 2HG2 THR 67 -8.841 5.200 -8.864 569 HG23 THR 67 3HG2 THR 67 -7.613 5.209 -7.595 570 H VAL 68 H VAL 68 -4.759 1.525 -7.617 571 HA VAL 68 HA VAL 68 -3.575 3.222 -5.618 572 HB VAL 68 HB VAL 68 -2.262 1.353 -7.649 573 HG11 VAL 68 1HG1 VAL 68 -0.203 1.529 -6.284 574 HG12 VAL 68 2HG1 VAL 68 -0.968 2.761 -5.277 575 HG13 VAL 68 3HG1 VAL 68 -0.648 3.089 -6.983 576 HG21 VAL 68 1HG2 VAL 68 -3.676 0.183 -6.019 577 HG22 VAL 68 2HG2 VAL 68 -2.844 0.982 -4.683 578 HG23 VAL 68 3HG2 VAL 68 -1.974 -0.161 -5.709 579 H LYS 69 H LYS 69 -3.159 5.275 -5.929 580 HA LYS 69 HA LYS 69 -2.960 6.597 -8.460 581 HB2 LYS 69 2HB LYS 69 -2.399 7.591 -5.627 582 HB3 LYS 69 3HB LYS 69 -2.540 8.618 -7.052 583 HG2 LYS 69 2HG LYS 69 -4.759 6.888 -5.910 584 HG3 LYS 69 3HG LYS 69 -4.591 8.626 -5.662 585 HD2 LYS 69 2HD LYS 69 -5.007 7.283 -8.371 586 HD3 LYS 69 3HD LYS 69 -6.278 8.041 -7.407 587 HE2 LYS 69 2HE LYS 69 -3.862 9.458 -8.592 588 HE3 LYS 69 3HE LYS 69 -5.521 9.557 -9.183 589 HZ1 LYS 69 1HZ LYS 69 -4.977 11.471 -7.842 590 HZ2 LYS 69 2HZ LYS 69 -4.566 10.489 -6.529 591 HZ3 LYS 69 3HZ LYS 69 -6.167 10.550 -7.070 592 H ARG 70 H ARG 70 -0.644 6.147 -5.753 593 HA ARG 70 HA ARG 70 1.579 5.721 -7.532 594 HB2 ARG 70 2HB ARG 70 1.415 8.212 -7.614 595 HB3 ARG 70 3HB ARG 70 1.536 8.284 -5.858 596 HG2 ARG 70 2HG ARG 70 3.805 7.280 -5.992 597 HG3 ARG 70 3HG ARG 70 3.690 7.266 -7.752 598 HD2 ARG 70 2HD ARG 70 3.555 9.729 -7.760 599 HD3 ARG 70 3HD ARG 70 3.623 9.741 -5.994 600 HE ARG 70 HE ARG 70 5.877 8.734 -6.187 601 HH11 ARG 70 1HH1 ARG 70 4.654 10.589 -8.923 602 HH12 ARG 70 2HH1 ARG 70 6.239 10.954 -9.520 603 HH21 ARG 70 1HH2 ARG 70 7.932 9.171 -7.035 604 HH22 ARG 70 2HH2 ARG 70 8.088 10.155 -8.457 605 H ILE 71 H ILE 71 3.317 4.793 -6.505 606 HA ILE 71 HA ILE 71 3.226 4.390 -3.575 607 HB ILE 71 HB ILE 71 4.850 2.926 -5.717 608 HG12 ILE 71 2HG1 ILE 71 2.362 2.082 -4.163 609 HG13 ILE 71 3HG1 ILE 71 2.466 2.377 -5.891 610 HG21 ILE 71 1HG2 ILE 71 4.632 2.339 -2.739 611 HG22 ILE 71 2HG2 ILE 71 6.047 3.003 -3.560 612 HG23 ILE 71 3HG2 ILE 71 5.504 1.366 -3.923 613 HD11 ILE 71 1HD1 ILE 71 3.807 0.132 -4.396 614 HD12 ILE 71 2HD1 ILE 71 3.900 0.422 -6.136 615 HD13 ILE 71 3HD1 ILE 71 2.356 0.027 -5.387 616 H THR 72 H THR 72 4.249 6.082 -2.663 617 HA THR 72 HA THR 72 6.869 6.999 -3.686 618 HB THR 72 HB THR 72 4.929 8.398 -1.776 619 HG1 THR 72 HG1 THR 72 4.377 9.652 -3.524 620 HG21 THR 72 1HG2 THR 72 7.279 9.055 -1.352 621 HG22 THR 72 2HG2 THR 72 6.376 10.386 -2.078 622 HG23 THR 72 3HG2 THR 72 7.488 9.437 -3.065 623 H ARG 73 H ARG 73 8.520 6.047 -2.629 624 HA ARG 73 HA ARG 73 8.334 4.754 -0.091 625 HB2 ARG 73 2HB ARG 73 9.983 4.016 -1.746 626 HB3 ARG 73 3HB ARG 73 10.748 5.600 -1.762 627 HG2 ARG 73 2HG ARG 73 11.582 5.283 0.497 628 HG3 ARG 73 3HG ARG 73 10.681 3.774 0.667 629 HD2 ARG 73 2HD ARG 73 13.106 3.433 0.224 630 HD3 ARG 73 3HD ARG 73 12.068 2.692 -0.997 631 HE ARG 73 HE ARG 73 12.784 5.257 -1.884 632 HH11 ARG 73 1HH1 ARG 73 14.336 2.151 -1.307 633 HH12 ARG 73 2HH1 ARG 73 15.560 2.411 -2.512 634 HH21 ARG 73 1HH2 ARG 73 14.362 5.562 -3.484 635 HH22 ARG 73 2HH2 ARG 73 15.571 4.345 -3.746 636 H THR 74 H THR 74 9.145 5.440 1.905 637 HA THR 74 HA THR 74 8.772 8.144 2.578 638 HB THR 74 HB THR 74 8.393 6.302 4.201 639 HG1 THR 74 HG1 THR 74 8.708 8.356 5.036 640 HG21 THR 74 1HG2 THR 74 11.431 6.065 4.387 641 HG22 THR 74 2HG2 THR 74 10.350 4.845 3.710 642 HG23 THR 74 3HG2 THR 74 10.260 5.246 5.426 643 H VAL 75 H VAL 75 10.171 9.806 2.797 644 HA VAL 75 HA VAL 75 12.916 9.495 1.815 645 HB VAL 75 HB VAL 75 11.445 11.236 0.835 646 HG11 VAL 75 1HG1 VAL 75 10.082 11.786 2.785 647 HG12 VAL 75 2HG1 VAL 75 10.783 13.242 2.081 648 HG13 VAL 75 3HG1 VAL 75 11.462 12.564 3.563 649 HG21 VAL 75 1HG2 VAL 75 13.869 11.572 0.737 650 HG22 VAL 75 2HG2 VAL 75 13.845 12.404 2.295 651 HG23 VAL 75 3HG2 VAL 75 13.038 13.122 0.899 652 H GLY 76 H GLY 76 14.725 10.299 3.026 653 HA2 GLY 76 2HA GLY 76 14.508 11.311 5.719 654 HA3 GLY 76 3HA GLY 76 15.025 9.623 5.663 655 H SER 77 H SER 77 15.695 12.360 3.515 656 HA SER 77 HA SER 77 18.529 11.709 3.371 657 HB2 SER 77 2HB SER 77 17.167 12.377 1.359 658 HB3 SER 77 3HB SER 77 16.970 13.988 2.049 659 HG SER 77 HG SER 77 18.705 13.793 0.501 660 H LEU 78 H LEU 78 19.915 14.025 3.235 661 HA LEU 78 HA LEU 78 20.021 15.049 5.925 662 HB2 LEU 78 2HB LEU 78 21.497 15.922 3.410 663 HB3 LEU 78 3HB LEU 78 21.858 16.514 5.024 664 HG LEU 78 HG LEU 78 22.201 13.647 4.052 665 HD11 LEU 78 1HD1 LEU 78 24.293 15.750 4.710 666 HD12 LEU 78 2HD1 LEU 78 23.885 15.140 3.103 667 HD13 LEU 78 3HD1 LEU 78 24.615 14.064 4.291 668 HD21 LEU 78 1HD2 LEU 78 22.813 14.838 6.781 669 HD22 LEU 78 2HD2 LEU 78 23.263 13.217 6.248 670 HD23 LEU 78 3HD2 LEU 78 21.563 13.649 6.409 671 H GLU 79 H GLU 79 17.835 15.839 6.030 672 HA GLU 79 HA GLU 79 17.190 18.268 4.460 673 HB2 GLU 79 2HB GLU 79 15.374 16.312 5.936 674 HB3 GLU 79 3HB GLU 79 14.819 17.750 5.077 675 HG2 GLU 79 2HG GLU 79 15.643 16.825 2.951 676 HG3 GLU 79 3HG GLU 79 16.261 15.403 3.794 677 H HIS 80 H HIS 80 15.727 19.796 5.682 678 HA HIS 80 HA HIS 80 17.273 20.859 7.841 679 HB2 HIS 80 2HB HIS 80 14.693 21.820 6.526 680 HB3 HIS 80 3HB HIS 80 15.558 22.727 7.767 681 HD1 HIS 80 HD1 HIS 80 16.597 24.631 6.568 682 HD2 HIS 80 HD2 HIS 80 17.058 21.090 4.442 683 HE1 HIS 80 HE1 HIS 80 18.044 25.205 4.595 684 HE2 HIS 80 HE2 HIS 80 18.123 23.101 3.235 685 H HIS 81 H HIS 81 17.152 19.607 9.639 686 HA HIS 81 HA HIS 81 14.763 18.615 10.850 687 HB2 HIS 81 2HB HIS 81 17.023 17.638 11.265 688 HB3 HIS 81 3HB HIS 81 17.496 19.104 12.114 689 HD1 HIS 81 HD1 HIS 81 16.951 19.212 14.568 690 HD2 HIS 81 HD2 HIS 81 14.982 16.096 12.652 691 HE1 HIS 81 HE1 HIS 81 15.850 17.891 16.390 692 HE2 HIS 81 HE2 HIS 81 14.615 16.052 15.209 693 H HIS 82 H HIS 82 13.446 19.562 12.313 694 HA HIS 82 HA HIS 82 12.185 21.173 13.195 695 HB2 HIS 82 2HB HIS 82 13.897 21.340 14.938 696 HB3 HIS 82 3HB HIS 82 14.857 22.431 13.948 697 HD1 HIS 82 HD1 HIS 82 11.423 22.366 15.619 698 HD2 HIS 82 HD2 HIS 82 14.372 25.057 14.466 699 HE1 HIS 82 HE1 HIS 82 10.656 24.610 16.449 700 HE2 HIS 82 HE2 HIS 82 12.347 26.216 15.533 701 H HIS 83 H HIS 83 11.257 21.737 11.276 702 HA HIS 83 HA HIS 83 12.164 24.209 9.923 703 HB2 HIS 83 2HB HIS 83 11.490 23.239 7.751 704 HB3 HIS 83 3HB HIS 83 12.750 22.277 8.509 705 HD1 HIS 83 HD1 HIS 83 10.019 21.663 6.500 706 HD2 HIS 83 HD2 HIS 83 11.184 20.084 10.161 707 HE1 HIS 83 HE1 HIS 83 8.847 19.448 6.686 708 HE2 HIS 83 HE2 HIS 83 9.773 18.441 8.787 709 H HIS 84 H HIS 84 9.921 23.222 11.945 710 HA HIS 84 HA HIS 84 8.093 25.301 11.054 711 HB2 HIS 84 2HB HIS 84 6.033 24.061 11.259 712 HB3 HIS 84 3HB HIS 84 7.068 23.140 10.178 713 HD1 HIS 84 HD1 HIS 84 5.611 23.056 13.662 714 HD2 HIS 84 HD2 HIS 84 7.662 20.545 11.063 715 HE1 HIS 84 HE1 HIS 84 5.476 20.770 14.685 716 HE2 HIS 84 HE2 HIS 84 6.578 19.255 13.011 717 H HIS 85 H HIS 85 6.730 26.094 12.766 718 HA HIS 85 HA HIS 85 7.911 25.898 15.428 719 HB2 HIS 85 2HB HIS 85 5.665 27.645 14.325 720 HB3 HIS 85 3HB HIS 85 6.252 27.729 15.985 721 HD1 HIS 85 HD1 HIS 85 8.056 29.380 16.387 722 HD2 HIS 85 HD2 HIS 85 7.835 28.329 12.375 723 HE1 HIS 85 HE1 HIS 85 9.686 30.874 15.208 724 HE2 HIS 85 HE2 HIS 85 9.378 30.353 12.775 Start of MODEL 17 1 H1 MET 1 1H MET 1 -20.700 -10.690 4.620 2 H2 MET 1 2H MET 1 -19.676 -11.425 3.497 3 H3 MET 1 3H MET 1 -21.351 -11.594 3.351 4 HA MET 1 HA MET 1 -20.427 -10.019 1.758 5 HB2 MET 1 2HB MET 1 -22.296 -8.897 3.889 6 HB3 MET 1 3HB MET 1 -21.984 -8.081 2.365 7 HG2 MET 1 2HG MET 1 -22.874 -10.129 1.190 8 HG3 MET 1 3HG MET 1 -23.372 -10.737 2.773 9 HE1 MET 1 1HE MET 1 -26.761 -9.558 1.103 10 HE2 MET 1 2HE MET 1 -25.828 -10.940 1.673 11 HE3 MET 1 3HE MET 1 -25.384 -10.135 0.166 12 HA PRO 2 HA PRO 2 -17.015 -7.506 3.060 13 HB2 PRO 2 2HB PRO 2 -17.063 -5.425 1.253 14 HB3 PRO 2 3HB PRO 2 -16.590 -7.078 0.815 15 HG2 PRO 2 2HG PRO 2 -19.234 -5.713 0.421 16 HG3 PRO 2 3HG PRO 2 -18.314 -6.738 -0.706 17 HD2 PRO 2 2HD PRO 2 -20.403 -7.710 0.724 18 HD3 PRO 2 3HD PRO 2 -18.993 -8.711 0.310 19 H SER 3 H SER 3 -17.141 -6.559 5.014 20 HA SER 3 HA SER 3 -18.987 -4.434 5.685 21 HB2 SER 3 2HB SER 3 -18.296 -6.199 7.329 22 HB3 SER 3 3HB SER 3 -16.648 -5.571 7.294 23 HG SER 3 HG SER 3 -18.844 -4.669 8.645 24 H GLU 4 H GLU 4 -17.912 -2.491 6.990 25 HA GLU 4 HA GLU 4 -16.381 -0.847 5.289 26 HB2 GLU 4 2HB GLU 4 -16.163 0.678 7.231 27 HB3 GLU 4 3HB GLU 4 -17.813 0.102 7.026 28 HG2 GLU 4 2HG GLU 4 -17.410 -1.572 8.847 29 HG3 GLU 4 3HG GLU 4 -15.808 -0.874 9.081 30 H GLU 5 H GLU 5 -15.405 -3.254 7.609 31 HA GLU 5 HA GLU 5 -12.659 -2.513 7.869 32 HB2 GLU 5 2HB GLU 5 -13.857 -4.036 9.466 33 HB3 GLU 5 3HB GLU 5 -13.918 -5.276 8.216 34 HG2 GLU 5 2HG GLU 5 -11.452 -5.351 8.166 35 HG3 GLU 5 3HG GLU 5 -11.383 -4.095 9.401 36 H GLU 6 H GLU 6 -14.458 -4.651 5.680 37 HA GLU 6 HA GLU 6 -12.242 -5.892 4.447 38 HB2 GLU 6 2HB GLU 6 -15.063 -5.563 3.380 39 HB3 GLU 6 3HB GLU 6 -13.837 -6.621 2.689 40 HG2 GLU 6 2HG GLU 6 -15.089 -6.852 5.427 41 HG3 GLU 6 3HG GLU 6 -15.356 -7.913 4.046 42 H GLU 7 H GLU 7 -13.707 -2.815 3.900 43 HA GLU 7 HA GLU 7 -12.714 -2.130 1.381 44 HB2 GLU 7 2HB GLU 7 -12.925 -0.367 3.867 45 HB3 GLU 7 3HB GLU 7 -12.771 0.219 2.214 46 HG2 GLU 7 2HG GLU 7 -14.960 -0.743 1.643 47 HG3 GLU 7 3HG GLU 7 -15.120 -1.385 3.282 48 H LYS 8 H LYS 8 -11.173 -1.707 4.595 49 HA LYS 8 HA LYS 8 -8.684 -0.725 3.554 50 HB2 LYS 8 2HB LYS 8 -9.358 -1.734 6.355 51 HB3 LYS 8 3HB LYS 8 -7.823 -0.999 5.915 52 HG2 LYS 8 2HG LYS 8 -9.062 0.704 7.000 53 HG3 LYS 8 3HG LYS 8 -9.144 1.103 5.282 54 HD2 LYS 8 2HD LYS 8 -11.405 0.068 5.181 55 HD3 LYS 8 3HD LYS 8 -11.307 -0.280 6.909 56 HE2 LYS 8 2HE LYS 8 -11.207 2.125 7.403 57 HE3 LYS 8 3HE LYS 8 -11.251 2.493 5.673 58 HZ1 LYS 8 1HZ LYS 8 -13.436 1.440 5.552 59 HZ2 LYS 8 2HZ LYS 8 -13.440 2.711 6.670 60 HZ3 LYS 8 3HZ LYS 8 -13.390 1.110 7.214 61 H ARG 9 H ARG 9 -9.883 -3.909 4.505 62 HA ARG 9 HA ARG 9 -7.551 -5.459 4.500 63 HB2 ARG 9 2HB ARG 9 -10.334 -6.175 3.488 64 HB3 ARG 9 3HB ARG 9 -9.060 -7.358 3.738 65 HG2 ARG 9 2HG ARG 9 -10.215 -5.621 5.932 66 HG3 ARG 9 3HG ARG 9 -10.776 -7.250 5.565 67 HD2 ARG 9 2HD ARG 9 -8.407 -8.048 5.994 68 HD3 ARG 9 3HD ARG 9 -8.045 -6.423 6.586 69 HE ARG 9 HE ARG 9 -10.194 -7.106 8.070 70 HH11 ARG 9 1HH1 ARG 9 -7.174 -8.806 7.410 71 HH12 ARG 9 2HH1 ARG 9 -7.169 -9.632 8.936 72 HH21 ARG 9 1HH2 ARG 9 -10.168 -8.192 10.063 73 HH22 ARG 9 2HH2 ARG 9 -8.868 -9.285 10.445 74 H GLN 10 H GLN 10 -9.710 -4.610 1.840 75 HA GLN 10 HA GLN 10 -8.292 -5.804 -0.288 76 HB2 GLN 10 2HB GLN 10 -10.374 -3.583 -0.182 77 HB3 GLN 10 3HB GLN 10 -9.716 -4.177 -1.704 78 HG2 GLN 10 2HG GLN 10 -10.682 -6.341 -1.402 79 HG3 GLN 10 3HG GLN 10 -11.041 -6.024 0.297 80 HE21 GLN 10 1HE2 GLN 10 -13.215 -6.533 0.036 81 HE22 GLN 10 2HE2 GLN 10 -14.321 -5.497 -0.794 82 H VAL 11 H VAL 11 -8.234 -2.480 1.031 83 HA VAL 11 HA VAL 11 -6.660 -1.281 -0.984 84 HB VAL 11 HB VAL 11 -6.897 -0.454 1.951 85 HG11 VAL 11 1HG1 VAL 11 -4.981 0.640 0.828 86 HG12 VAL 11 2HG1 VAL 11 -6.255 1.794 1.203 87 HG13 VAL 11 3HG1 VAL 11 -6.053 1.210 -0.447 88 HG21 VAL 11 1HG2 VAL 11 -9.076 -0.580 0.815 89 HG22 VAL 11 2HG2 VAL 11 -8.487 0.480 -0.459 90 HG23 VAL 11 3HG2 VAL 11 -8.646 1.081 1.190 91 H LYS 12 H LYS 12 -5.699 -2.751 2.122 92 HA LYS 12 HA LYS 12 -2.905 -2.234 1.955 93 HB2 LYS 12 2HB LYS 12 -4.366 -4.447 3.454 94 HB3 LYS 12 3HB LYS 12 -2.677 -4.013 3.699 95 HG2 LYS 12 2HG LYS 12 -3.348 -1.796 4.532 96 HG3 LYS 12 3HG LYS 12 -5.045 -2.192 4.254 97 HD2 LYS 12 2HD LYS 12 -3.183 -3.649 6.174 98 HD3 LYS 12 3HD LYS 12 -4.405 -2.467 6.640 99 HE2 LYS 12 2HE LYS 12 -6.193 -3.938 5.917 100 HE3 LYS 12 3HE LYS 12 -5.039 -5.081 5.224 101 HZ1 LYS 12 1HZ LYS 12 -5.853 -5.826 7.383 102 HZ2 LYS 12 2HZ LYS 12 -5.278 -4.413 8.110 103 HZ3 LYS 12 3HZ LYS 12 -4.192 -5.522 7.447 104 H GLN 13 H GLN 13 -4.978 -4.850 0.808 105 HA GLN 13 HA GLN 13 -2.967 -6.619 -0.113 106 HB2 GLN 13 2HB GLN 13 -5.273 -7.395 0.159 107 HB3 GLN 13 3HB GLN 13 -5.852 -6.243 -1.038 108 HG2 GLN 13 2HG GLN 13 -4.557 -7.446 -2.791 109 HG3 GLN 13 3HG GLN 13 -4.041 -8.617 -1.578 110 HE21 GLN 13 1HE2 GLN 13 -7.317 -7.244 -1.743 111 HE22 GLN 13 2HE2 GLN 13 -8.098 -8.708 -2.215 112 H VAL 14 H VAL 14 -4.827 -4.071 -1.833 113 HA VAL 14 HA VAL 14 -3.707 -4.381 -4.389 114 HB VAL 14 HB VAL 14 -4.683 -1.745 -3.157 115 HG11 VAL 14 1HG1 VAL 14 -4.513 -2.568 -6.081 116 HG12 VAL 14 2HG1 VAL 14 -3.469 -1.403 -5.266 117 HG13 VAL 14 3HG1 VAL 14 -5.186 -1.055 -5.466 118 HG21 VAL 14 1HG2 VAL 14 -6.429 -3.452 -2.954 119 HG22 VAL 14 2HG2 VAL 14 -6.314 -3.816 -4.671 120 HG23 VAL 14 3HG2 VAL 14 -6.888 -2.232 -4.138 121 H ALA 15 H ALA 15 -2.772 -2.340 -1.662 122 HA ALA 15 HA ALA 15 -0.619 -0.943 -2.783 123 HB1 ALA 15 1HB ALA 15 -0.036 -0.417 -0.448 124 HB2 ALA 15 2HB ALA 15 -1.118 -1.693 0.120 125 HB3 ALA 15 3HB ALA 15 -1.774 -0.282 -0.715 126 H LYS 16 H LYS 16 -0.650 -4.009 -0.920 127 HA LYS 16 HA LYS 16 2.203 -4.265 -0.817 128 HB2 LYS 16 2HB LYS 16 1.883 -6.338 0.335 129 HB3 LYS 16 3HB LYS 16 0.608 -5.271 0.889 130 HG2 LYS 16 2HG LYS 16 -0.998 -6.425 -0.570 131 HG3 LYS 16 3HG LYS 16 0.276 -7.475 -1.166 132 HD2 LYS 16 2HD LYS 16 -0.678 -7.354 1.726 133 HD3 LYS 16 3HD LYS 16 -1.146 -8.580 0.549 134 HE2 LYS 16 2HE LYS 16 1.268 -9.224 0.343 135 HE3 LYS 16 3HE LYS 16 1.638 -8.090 1.645 136 HZ1 LYS 16 1HZ LYS 16 -0.085 -10.507 1.819 137 HZ2 LYS 16 2HZ LYS 16 0.064 -9.367 3.055 138 HZ3 LYS 16 3HZ LYS 16 1.409 -10.266 2.575 139 H GLU 17 H GLU 17 -0.297 -5.514 -2.976 140 HA GLU 17 HA GLU 17 1.332 -7.413 -4.344 141 HB2 GLU 17 2HB GLU 17 -1.254 -6.075 -5.242 142 HB3 GLU 17 3HB GLU 17 -0.483 -7.417 -6.079 143 HG2 GLU 17 2HG GLU 17 -1.709 -7.456 -3.314 144 HG3 GLU 17 3HG GLU 17 -2.316 -8.252 -4.759 145 H LYS 18 H LYS 18 0.631 -3.992 -4.846 146 HA LYS 18 HA LYS 18 1.927 -3.686 -7.373 147 HB2 LYS 18 2HB LYS 18 1.407 -1.652 -5.167 148 HB3 LYS 18 3HB LYS 18 1.982 -1.242 -6.778 149 HG2 LYS 18 2HG LYS 18 -0.674 -2.524 -6.138 150 HG3 LYS 18 3HG LYS 18 -0.412 -0.821 -6.502 151 HD2 LYS 18 2HD LYS 18 0.344 -1.398 -8.769 152 HD3 LYS 18 3HD LYS 18 0.153 -3.119 -8.410 153 HE2 LYS 18 2HE LYS 18 -2.254 -2.826 -8.115 154 HE3 LYS 18 3HE LYS 18 -2.100 -1.081 -8.360 155 HZ1 LYS 18 1HZ LYS 18 -1.407 -3.140 -10.387 156 HZ2 LYS 18 2HZ LYS 18 -1.398 -1.465 -10.615 157 HZ3 LYS 18 3HZ LYS 18 -2.857 -2.275 -10.343 158 H LEU 19 H LEU 19 3.022 -3.469 -4.027 159 HA LEU 19 HA LEU 19 5.705 -2.659 -4.542 160 HB2 LEU 19 2HB LEU 19 4.412 -4.065 -2.179 161 HB3 LEU 19 3HB LEU 19 6.104 -3.604 -2.193 162 HG LEU 19 HG LEU 19 3.699 -1.748 -2.228 163 HD11 LEU 19 1HD1 LEU 19 4.310 -2.588 -0.024 164 HD12 LEU 19 2HD1 LEU 19 4.681 -0.872 -0.145 165 HD13 LEU 19 3HD1 LEU 19 5.980 -2.065 -0.253 166 HD21 LEU 19 1HD2 LEU 19 5.325 -0.848 -3.800 167 HD22 LEU 19 2HD2 LEU 19 6.614 -0.997 -2.603 168 HD23 LEU 19 3HD2 LEU 19 5.285 0.134 -2.336 169 H LEU 20 H LEU 20 4.110 -5.771 -4.465 170 HA LEU 20 HA LEU 20 6.455 -7.405 -4.737 171 HB2 LEU 20 2HB LEU 20 3.492 -7.930 -5.175 172 HB3 LEU 20 3HB LEU 20 4.712 -9.179 -5.395 173 HG LEU 20 HG LEU 20 4.279 -7.687 -2.776 174 HD11 LEU 20 1HD1 LEU 20 3.182 -9.718 -1.933 175 HD12 LEU 20 2HD1 LEU 20 3.268 -10.445 -3.539 176 HD13 LEU 20 3HD1 LEU 20 2.284 -9.001 -3.271 177 HD21 LEU 20 1HD2 LEU 20 5.696 -9.449 -1.805 178 HD22 LEU 20 2HD2 LEU 20 6.554 -8.544 -3.046 179 HD23 LEU 20 3HD2 LEU 20 5.930 -10.157 -3.406 180 H GLU 21 H GLU 21 4.369 -5.693 -6.977 181 HA GLU 21 HA GLU 21 5.272 -6.891 -9.397 182 HB2 GLU 21 2HB GLU 21 4.229 -4.060 -8.919 183 HB3 GLU 21 3HB GLU 21 4.477 -4.778 -10.503 184 HG2 GLU 21 2HG GLU 21 2.466 -5.631 -8.415 185 HG3 GLU 21 3HG GLU 21 2.135 -4.853 -9.960 186 H GLN 22 H GLN 22 6.427 -4.170 -7.452 187 HA GLN 22 HA GLN 22 8.570 -3.361 -9.191 188 HB2 GLN 22 2HB GLN 22 8.176 -2.819 -6.212 189 HB3 GLN 22 3HB GLN 22 9.318 -1.984 -7.262 190 HG2 GLN 22 2HG GLN 22 7.428 -1.081 -8.582 191 HG3 GLN 22 3HG GLN 22 6.298 -1.894 -7.501 192 HE21 GLN 22 1HE2 GLN 22 7.864 -1.292 -5.064 193 HE22 GLN 22 2HE2 GLN 22 7.625 0.389 -4.766 194 H SER 23 H SER 23 8.301 -5.446 -6.366 195 HA SER 23 HA SER 23 10.957 -6.587 -6.824 196 HB2 SER 23 2HB SER 23 11.232 -4.721 -5.128 197 HB3 SER 23 3HB SER 23 10.093 -5.559 -4.076 198 HG SER 23 HG SER 23 12.607 -5.887 -4.018 199 HA PRO 24 HA PRO 24 8.141 -10.092 -5.678 200 HB2 PRO 24 2HB PRO 24 9.177 -11.925 -7.398 201 HB3 PRO 24 3HB PRO 24 8.039 -10.681 -7.953 202 HG2 PRO 24 2HG PRO 24 11.025 -10.742 -8.192 203 HG3 PRO 24 3HG PRO 24 9.810 -10.279 -9.405 204 HD2 PRO 24 2HD PRO 24 11.212 -8.453 -7.893 205 HD3 PRO 24 3HD PRO 24 9.597 -8.135 -8.563 206 H ASN 25 H ASN 25 11.367 -9.305 -5.354 207 HA ASN 25 HA ASN 25 12.237 -11.752 -3.962 208 HB2 ASN 25 2HB ASN 25 13.830 -9.306 -4.870 209 HB3 ASN 25 3HB ASN 25 14.509 -10.768 -4.160 210 HD21 ASN 25 1HD2 ASN 25 14.586 -12.683 -5.430 211 HD22 ASN 25 2HD2 ASN 25 14.388 -12.646 -7.146 212 H SER 26 H SER 26 10.300 -9.615 -2.903 213 HA SER 26 HA SER 26 11.817 -8.806 -0.480 214 HB2 SER 26 2HB SER 26 10.526 -6.722 -0.433 215 HB3 SER 26 3HB SER 26 11.349 -6.868 -1.984 216 HG SER 26 HG SER 26 9.481 -6.850 -2.924 217 H LYS 27 H LYS 27 10.712 -8.858 1.510 218 HA LYS 27 HA LYS 27 7.991 -9.998 1.581 219 HB2 LYS 27 2HB LYS 27 9.467 -11.010 3.224 220 HB3 LYS 27 3HB LYS 27 10.023 -9.440 3.801 221 HG2 LYS 27 2HG LYS 27 7.892 -8.960 4.824 222 HG3 LYS 27 3HG LYS 27 7.129 -10.350 4.062 223 HD2 LYS 27 2HD LYS 27 9.328 -10.512 6.165 224 HD3 LYS 27 3HD LYS 27 7.601 -10.680 6.491 225 HE2 LYS 27 2HE LYS 27 7.567 -12.629 4.900 226 HE3 LYS 27 3HE LYS 27 9.324 -12.513 4.805 227 HZ1 LYS 27 1HZ LYS 27 9.386 -12.856 7.236 228 HZ2 LYS 27 2HZ LYS 27 8.708 -14.164 6.405 229 HZ3 LYS 27 3HZ LYS 27 7.707 -13.080 7.230 230 H VAL 28 H VAL 28 6.320 -8.631 1.602 231 HA VAL 28 HA VAL 28 6.692 -5.812 2.385 232 HB VAL 28 HB VAL 28 4.275 -7.062 0.984 233 HG11 VAL 28 1HG1 VAL 28 5.097 -4.159 1.369 234 HG12 VAL 28 2HG1 VAL 28 3.758 -4.986 2.171 235 HG13 VAL 28 3HG1 VAL 28 3.711 -4.714 0.430 236 HG21 VAL 28 1HG2 VAL 28 6.262 -7.287 -0.459 237 HG22 VAL 28 2HG2 VAL 28 6.600 -5.564 -0.292 238 HG23 VAL 28 3HG2 VAL 28 5.136 -6.099 -1.123 239 H GLN 29 H GLN 29 6.315 -5.524 4.492 240 HA GLN 29 HA GLN 29 4.047 -6.765 5.896 241 HB2 GLN 29 2HB GLN 29 6.255 -4.883 6.880 242 HB3 GLN 29 3HB GLN 29 5.043 -5.641 7.907 243 HG2 GLN 29 2HG GLN 29 7.130 -7.141 6.299 244 HG3 GLN 29 3HG GLN 29 7.263 -6.746 8.016 245 HE21 GLN 29 1HE2 GLN 29 5.971 -7.869 9.506 246 HE22 GLN 29 2HE2 GLN 29 5.121 -9.318 9.108 247 H VAL 30 H VAL 30 2.462 -5.333 6.961 248 HA VAL 30 HA VAL 30 2.155 -2.674 5.691 249 HB VAL 30 HB VAL 30 0.128 -3.961 5.521 250 HG11 VAL 30 1HG1 VAL 30 -1.106 -4.922 7.427 251 HG12 VAL 30 2HG1 VAL 30 0.201 -4.447 8.514 252 HG13 VAL 30 3HG1 VAL 30 0.497 -5.644 7.255 253 HG21 VAL 30 1HG2 VAL 30 -0.165 -1.568 6.023 254 HG22 VAL 30 2HG2 VAL 30 -0.215 -1.918 7.753 255 HG23 VAL 30 3HG2 VAL 30 -1.495 -2.513 6.695 256 H ARG 31 H ARG 31 2.862 -0.952 6.768 257 HA ARG 31 HA ARG 31 3.895 -1.237 9.480 258 HB2 ARG 31 2HB ARG 31 5.244 -0.180 7.617 259 HB3 ARG 31 3HB ARG 31 4.083 1.145 7.572 260 HG2 ARG 31 2HG ARG 31 6.039 1.845 8.827 261 HG3 ARG 31 3HG ARG 31 4.675 1.698 9.937 262 HD2 ARG 31 2HD ARG 31 5.541 -0.628 10.522 263 HD3 ARG 31 3HD ARG 31 6.995 -0.238 9.594 264 HE ARG 31 HE ARG 31 6.444 1.751 11.566 265 HH11 ARG 31 1HH1 ARG 31 7.762 -1.513 11.249 266 HH12 ARG 31 2HH1 ARG 31 8.735 -1.381 12.677 267 HH21 ARG 31 1HH2 ARG 31 7.726 1.892 13.431 268 HH22 ARG 31 2HH2 ARG 31 8.717 0.547 13.914 269 H ARG 32 H ARG 32 1.743 1.060 7.755 270 HA ARG 32 HA ARG 32 0.103 1.562 10.090 271 HB2 ARG 32 2HB ARG 32 2.036 3.003 10.585 272 HB3 ARG 32 3HB ARG 32 1.988 3.693 8.971 273 HG2 ARG 32 2HG ARG 32 1.126 5.263 10.626 274 HG3 ARG 32 3HG ARG 32 -0.130 4.803 9.477 275 HD2 ARG 32 2HD ARG 32 -0.990 3.166 11.185 276 HD3 ARG 32 3HD ARG 32 0.188 3.819 12.330 277 HE ARG 32 HE ARG 32 -1.258 5.972 11.347 278 HH11 ARG 32 1HH1 ARG 32 -1.958 3.059 13.206 279 HH12 ARG 32 2HH1 ARG 32 -3.289 3.777 14.058 280 HH21 ARG 32 1HH2 ARG 32 -3.007 6.911 12.487 281 HH22 ARG 32 2HH2 ARG 32 -3.884 5.965 13.650 282 H VAL 33 H VAL 33 -1.895 2.528 9.509 283 HA VAL 33 HA VAL 33 -2.327 3.138 6.633 284 HB VAL 33 HB VAL 33 -4.197 1.477 8.419 285 HG11 VAL 33 1HG1 VAL 33 -5.629 1.226 6.422 286 HG12 VAL 33 2HG1 VAL 33 -4.587 2.329 5.521 287 HG13 VAL 33 3HG1 VAL 33 -5.501 2.916 6.912 288 HG21 VAL 33 1HG2 VAL 33 -2.255 0.180 7.624 289 HG22 VAL 33 2HG2 VAL 33 -2.608 0.636 5.956 290 HG23 VAL 33 3HG2 VAL 33 -3.741 -0.378 6.851 291 H GLN 34 H GLN 34 -3.010 5.154 6.419 292 HA GLN 34 HA GLN 34 -4.815 6.436 8.382 293 HB2 GLN 34 2HB GLN 34 -3.029 7.596 6.189 294 HB3 GLN 34 3HB GLN 34 -4.311 8.538 6.943 295 HG2 GLN 34 2HG GLN 34 -2.275 9.144 8.005 296 HG3 GLN 34 3HG GLN 34 -3.197 8.188 9.155 297 HE21 GLN 34 1HE2 GLN 34 -1.302 6.798 6.495 298 HE22 GLN 34 2HE2 GLN 34 -0.103 6.077 7.507 299 H LYS 35 H LYS 35 -6.940 6.612 7.816 300 HA LYS 35 HA LYS 35 -7.753 6.279 4.976 301 HB2 LYS 35 2HB LYS 35 -8.718 4.758 6.810 302 HB3 LYS 35 3HB LYS 35 -9.520 6.167 7.475 303 HG2 LYS 35 2HG LYS 35 -10.006 5.234 4.631 304 HG3 LYS 35 3HG LYS 35 -10.892 4.570 5.998 305 HD2 LYS 35 2HD LYS 35 -11.752 6.838 6.526 306 HD3 LYS 35 3HD LYS 35 -10.881 7.484 5.132 307 HE2 LYS 35 2HE LYS 35 -12.243 6.136 3.609 308 HE3 LYS 35 3HE LYS 35 -13.054 5.359 4.970 309 HZ1 LYS 35 1HZ LYS 35 -13.957 7.527 5.603 310 HZ2 LYS 35 2HZ LYS 35 -14.423 7.100 4.037 311 HZ3 LYS 35 3HZ LYS 35 -13.206 8.245 4.269 312 H GLN 36 H GLN 36 -7.794 8.262 4.016 313 HA GLN 36 HA GLN 36 -8.941 10.571 5.494 314 HB2 GLN 36 2HB GLN 36 -6.598 10.557 3.537 315 HB3 GLN 36 3HB GLN 36 -7.351 12.017 4.165 316 HG2 GLN 36 2HG GLN 36 -5.974 9.918 5.878 317 HG3 GLN 36 3HG GLN 36 -5.215 11.406 5.309 318 HE21 GLN 36 1HE2 GLN 36 -5.908 13.405 6.224 319 HE22 GLN 36 2HE2 GLN 36 -6.769 13.470 7.716 320 H GLY 37 H GLY 37 -10.985 10.361 4.683 321 HA2 GLY 37 2HA GLY 37 -12.737 10.859 3.291 322 HA3 GLY 37 3HA GLY 37 -11.582 11.548 2.160 323 H ASN 38 H ASN 38 -10.980 10.366 0.379 324 HA ASN 38 HA ASN 38 -12.011 7.586 0.121 325 HB2 ASN 38 2HB ASN 38 -11.498 9.711 -2.005 326 HB3 ASN 38 3HB ASN 38 -11.708 8.008 -2.409 327 HD21 ASN 38 1HD2 ASN 38 -13.287 10.906 -1.305 328 HD22 ASN 38 2HD2 ASN 38 -14.906 10.318 -1.435 329 H THR 39 H THR 39 -9.175 9.644 0.006 330 HA THR 39 HA THR 39 -7.464 7.605 -1.163 331 HB THR 39 HB THR 39 -6.607 10.271 0.063 332 HG1 THR 39 HG1 THR 39 -7.697 9.642 -2.465 333 HG21 THR 39 1HG2 THR 39 -4.640 10.011 -1.453 334 HG22 THR 39 2HG2 THR 39 -5.236 8.422 -1.946 335 HG23 THR 39 3HG2 THR 39 -4.729 8.703 -0.276 336 H ILE 40 H ILE 40 -7.293 5.900 0.224 337 HA ILE 40 HA ILE 40 -6.476 6.252 3.000 338 HB ILE 40 HB ILE 40 -6.863 3.711 1.340 339 HG12 ILE 40 2HG1 ILE 40 -8.639 5.102 3.402 340 HG13 ILE 40 3HG1 ILE 40 -8.993 4.849 1.699 341 HG21 ILE 40 1HG2 ILE 40 -5.223 3.335 3.143 342 HG22 ILE 40 2HG2 ILE 40 -6.725 2.479 3.482 343 HG23 ILE 40 3HG2 ILE 40 -6.356 3.982 4.332 344 HD11 ILE 40 1HD1 ILE 40 -8.802 2.681 3.793 345 HD12 ILE 40 2HD1 ILE 40 -9.213 2.456 2.092 346 HD13 ILE 40 3HD1 ILE 40 -10.281 3.380 3.139 347 H ARG 41 H ARG 41 -4.441 6.806 3.335 348 HA ARG 41 HA ARG 41 -2.197 6.055 1.655 349 HB2 ARG 41 2HB ARG 41 -2.412 7.519 4.313 350 HB3 ARG 41 3HB ARG 41 -0.877 7.206 3.512 351 HG2 ARG 41 2HG ARG 41 -1.642 8.579 1.585 352 HG3 ARG 41 3HG ARG 41 -3.133 8.940 2.457 353 HD2 ARG 41 2HD ARG 41 -1.979 10.171 4.136 354 HD3 ARG 41 3HD ARG 41 -0.408 9.525 3.646 355 HE ARG 41 HE ARG 41 -1.607 11.016 1.537 356 HH11 ARG 41 1HH1 ARG 41 0.114 11.416 4.597 357 HH12 ARG 41 2HH1 ARG 41 0.770 12.968 4.164 358 HH21 ARG 41 1HH2 ARG 41 -0.725 13.050 0.975 359 HH22 ARG 41 2HH2 ARG 41 0.287 13.891 2.109 360 H VAL 42 H VAL 42 -1.997 3.789 1.777 361 HA VAL 42 HA VAL 42 -1.536 2.575 4.423 362 HB VAL 42 HB VAL 42 -1.403 1.242 1.669 363 HG11 VAL 42 1HG1 VAL 42 -0.031 0.069 3.366 364 HG12 VAL 42 2HG1 VAL 42 -1.437 -0.888 2.908 365 HG13 VAL 42 3HG1 VAL 42 -1.428 -0.020 4.446 366 HG21 VAL 42 1HG2 VAL 42 -3.675 1.999 2.175 367 HG22 VAL 42 2HG2 VAL 42 -3.620 1.191 3.745 368 HG23 VAL 42 3HG2 VAL 42 -3.575 0.239 2.257 369 H GLU 43 H GLU 43 0.331 3.252 5.188 370 HA GLU 43 HA GLU 43 2.831 3.245 3.714 371 HB2 GLU 43 2HB GLU 43 2.332 3.418 6.727 372 HB3 GLU 43 3HB GLU 43 3.853 3.764 5.903 373 HG2 GLU 43 2HG GLU 43 2.801 5.690 4.763 374 HG3 GLU 43 3HG GLU 43 1.277 5.316 5.564 375 H LEU 44 H LEU 44 3.957 1.426 3.345 376 HA LEU 44 HA LEU 44 3.517 -0.969 5.044 377 HB2 LEU 44 2HB LEU 44 4.419 -1.050 2.124 378 HB3 LEU 44 3HB LEU 44 3.873 -2.372 3.135 379 HG LEU 44 HG LEU 44 1.596 -0.878 3.182 380 HD11 LEU 44 1HD1 LEU 44 1.136 0.083 0.987 381 HD12 LEU 44 2HD1 LEU 44 2.789 -0.256 0.467 382 HD13 LEU 44 3HD1 LEU 44 2.489 0.900 1.768 383 HD21 LEU 44 1HD2 LEU 44 1.701 -3.236 2.550 384 HD22 LEU 44 2HD2 LEU 44 2.293 -2.795 0.946 385 HD23 LEU 44 3HD2 LEU 44 0.668 -2.320 1.451 386 H GLU 45 H GLU 45 5.353 -2.260 5.484 387 HA GLU 45 HA GLU 45 7.984 -0.929 5.142 388 HB2 GLU 45 2HB GLU 45 7.215 -1.144 7.477 389 HB3 GLU 45 3HB GLU 45 7.003 -2.884 7.286 390 HG2 GLU 45 2HG GLU 45 9.357 -3.258 7.157 391 HG3 GLU 45 3HG GLU 45 9.693 -1.541 6.917 392 H LEU 46 H LEU 46 8.908 -1.794 3.395 393 HA LEU 46 HA LEU 46 8.582 -4.651 2.702 394 HB2 LEU 46 2HB LEU 46 7.774 -3.105 1.028 395 HB3 LEU 46 3HB LEU 46 9.248 -2.169 1.054 396 HG LEU 46 HG LEU 46 9.359 -5.053 0.107 397 HD11 LEU 46 1HD1 LEU 46 8.543 -2.717 -1.662 398 HD12 LEU 46 2HD1 LEU 46 7.500 -4.053 -1.169 399 HD13 LEU 46 3HD1 LEU 46 8.894 -4.365 -2.197 400 HD21 LEU 46 1HD2 LEU 46 11.486 -3.844 0.378 401 HD22 LEU 46 2HD2 LEU 46 10.923 -2.579 -0.710 402 HD23 LEU 46 3HD2 LEU 46 11.176 -4.215 -1.317 403 H ARG 47 H ARG 47 10.460 -5.860 2.039 404 HA ARG 47 HA ARG 47 13.115 -4.775 2.842 405 HB2 ARG 47 2HB ARG 47 11.937 -7.525 3.436 406 HB3 ARG 47 3HB ARG 47 13.634 -7.123 3.668 407 HG2 ARG 47 2HG ARG 47 13.169 -5.678 5.488 408 HG3 ARG 47 3HG ARG 47 11.448 -5.587 5.097 409 HD2 ARG 47 2HD ARG 47 11.998 -7.031 7.088 410 HD3 ARG 47 3HD ARG 47 11.078 -7.851 5.826 411 HE ARG 47 HE ARG 47 13.860 -8.268 5.467 412 HH11 ARG 47 1HH1 ARG 47 11.191 -9.346 7.499 413 HH12 ARG 47 2HH1 ARG 47 11.917 -10.884 7.836 414 HH21 ARG 47 1HH2 ARG 47 14.781 -10.312 5.899 415 HH22 ARG 47 2HH2 ARG 47 13.945 -11.429 6.932 416 H THR 48 H THR 48 13.823 -4.425 0.678 417 HA THR 48 HA THR 48 13.697 -6.510 -1.337 418 HB THR 48 HB THR 48 15.283 -3.885 -1.352 419 HG1 THR 48 HG1 THR 48 13.425 -3.036 -1.820 420 HG21 THR 48 1HG2 THR 48 14.671 -5.797 -3.651 421 HG22 THR 48 2HG2 THR 48 16.263 -5.483 -2.958 422 HG23 THR 48 3HG2 THR 48 15.409 -4.203 -3.820 423 H ASN 49 H ASN 49 14.874 -8.302 -0.814 424 HA ASN 49 HA ASN 49 16.619 -9.701 -0.401 425 HB2 ASN 49 2HB ASN 49 18.332 -7.323 -1.266 426 HB3 ASN 49 3HB ASN 49 18.914 -8.975 -1.081 427 HD21 ASN 49 1HD2 ASN 49 19.576 -8.925 -3.286 428 HD22 ASN 49 2HD2 ASN 49 18.438 -9.096 -4.572 429 H GLY 50 H GLY 50 15.514 -8.012 1.732 430 HA2 GLY 50 2HA GLY 50 15.913 -8.194 4.049 431 HA3 GLY 50 3HA GLY 50 17.643 -8.303 3.760 432 H LYS 51 H LYS 51 17.252 -5.900 1.828 433 HA LYS 51 HA LYS 51 17.909 -3.834 3.679 434 HB2 LYS 51 2HB LYS 51 17.110 -3.519 0.743 435 HB3 LYS 51 3HB LYS 51 17.953 -2.332 1.730 436 HG2 LYS 51 2HG LYS 51 19.042 -5.019 0.854 437 HG3 LYS 51 3HG LYS 51 19.482 -3.454 0.185 438 HD2 LYS 51 2HD LYS 51 19.966 -4.222 3.086 439 HD3 LYS 51 3HD LYS 51 21.153 -4.482 1.814 440 HE2 LYS 51 2HE LYS 51 21.757 -2.459 2.948 441 HE3 LYS 51 3HE LYS 51 21.108 -1.987 1.380 442 HZ1 LYS 51 1HZ LYS 51 19.565 -1.936 3.922 443 HZ2 LYS 51 2HZ LYS 51 19.058 -1.342 2.425 444 HZ3 LYS 51 3HZ LYS 51 20.328 -0.593 3.238 445 H LYS 52 H LYS 52 16.574 -2.468 4.747 446 HA LYS 52 HA LYS 52 13.705 -2.971 4.482 447 HB2 LYS 52 2HB LYS 52 15.018 -3.101 6.691 448 HB3 LYS 52 3HB LYS 52 15.085 -1.347 6.669 449 HG2 LYS 52 2HG LYS 52 12.475 -2.894 6.590 450 HG3 LYS 52 3HG LYS 52 13.267 -2.449 8.092 451 HD2 LYS 52 2HD LYS 52 12.291 -0.471 6.000 452 HD3 LYS 52 3HD LYS 52 11.409 -0.918 7.455 453 HE2 LYS 52 2HE LYS 52 12.433 1.140 7.992 454 HE3 LYS 52 3HE LYS 52 13.458 -0.063 8.771 455 HZ1 LYS 52 1HZ LYS 52 15.058 0.162 7.023 456 HZ2 LYS 52 2HZ LYS 52 14.686 1.714 7.576 457 HZ3 LYS 52 3HZ LYS 52 14.033 1.155 6.122 458 H GLU 53 H GLU 53 12.644 -1.736 3.182 459 HA GLU 53 HA GLU 53 13.089 1.179 3.053 460 HB2 GLU 53 2HB GLU 53 12.358 -0.679 0.737 461 HB3 GLU 53 3HB GLU 53 12.486 1.076 0.638 462 HG2 GLU 53 2HG GLU 53 14.877 0.967 1.125 463 HG3 GLU 53 3HG GLU 53 14.785 -0.783 1.321 464 H ASN 54 H ASN 54 11.342 2.007 4.111 465 HA ASN 54 HA ASN 54 8.703 0.822 4.018 466 HB2 ASN 54 2HB ASN 54 9.585 3.558 5.061 467 HB3 ASN 54 3HB ASN 54 7.973 2.871 5.265 468 HD21 ASN 54 1HD2 ASN 54 7.691 1.164 6.777 469 HD22 ASN 54 2HD2 ASN 54 8.895 0.778 7.961 470 H TYR 55 H TYR 55 7.141 1.267 2.573 471 HA TYR 55 HA TYR 55 7.402 3.607 0.766 472 HB2 TYR 55 2HB TYR 55 6.000 0.929 0.306 473 HB3 TYR 55 3HB TYR 55 5.910 2.304 -0.794 474 HD1 TYR 55 HD1 TYR 55 7.671 2.687 -2.415 475 HD2 TYR 55 HD2 TYR 55 8.269 -0.179 0.689 476 HE1 TYR 55 HE1 TYR 55 9.708 1.896 -3.540 477 HE2 TYR 55 HE2 TYR 55 10.298 -0.966 -0.432 478 HH TYR 55 HH TYR 55 11.302 -0.994 -2.671 479 H THR 56 H THR 56 5.222 4.348 -0.019 480 HA THR 56 HA THR 56 2.966 4.053 1.825 481 HB THR 56 HB THR 56 4.119 6.785 1.028 482 HG1 THR 56 HG1 THR 56 4.208 5.240 3.383 483 HG21 THR 56 1HG2 THR 56 1.641 6.094 2.667 484 HG22 THR 56 2HG2 THR 56 1.664 6.899 1.096 485 HG23 THR 56 3HG2 THR 56 2.329 7.713 2.510 486 H VAL 57 H VAL 57 1.708 3.118 0.365 487 HA VAL 57 HA VAL 57 1.481 4.138 -2.387 488 HB VAL 57 HB VAL 57 0.331 1.584 -1.148 489 HG11 VAL 57 1HG1 VAL 57 -0.909 2.332 -3.132 490 HG12 VAL 57 2HG1 VAL 57 -0.033 0.839 -3.459 491 HG13 VAL 57 3HG1 VAL 57 0.587 2.375 -4.070 492 HG21 VAL 57 1HG2 VAL 57 2.847 1.871 -2.837 493 HG22 VAL 57 2HG2 VAL 57 2.151 0.354 -2.262 494 HG23 VAL 57 3HG2 VAL 57 2.796 1.520 -1.107 495 H GLU 58 H GLU 58 0.124 5.823 -2.368 496 HA GLU 58 HA GLU 58 -2.199 6.007 -0.650 497 HB2 GLU 58 2HB GLU 58 -1.267 7.829 -2.910 498 HB3 GLU 58 3HB GLU 58 -2.592 8.181 -1.804 499 HG2 GLU 58 2HG GLU 58 -0.799 7.941 0.082 500 HG3 GLU 58 3HG GLU 58 0.369 8.067 -1.232 501 H VAL 59 H VAL 59 -3.753 4.623 -1.116 502 HA VAL 59 HA VAL 59 -4.647 4.157 -3.895 503 HB VAL 59 HB VAL 59 -5.342 2.535 -1.403 504 HG11 VAL 59 1HG1 VAL 59 -6.945 2.273 -3.228 505 HG12 VAL 59 2HG1 VAL 59 -6.030 0.784 -3.000 506 HG13 VAL 59 3HG1 VAL 59 -5.644 1.857 -4.348 507 HG21 VAL 59 1HG2 VAL 59 -3.675 0.857 -2.107 508 HG22 VAL 59 2HG2 VAL 59 -2.919 2.405 -1.729 509 HG23 VAL 59 3HG2 VAL 59 -3.147 1.925 -3.413 510 H GLU 60 H GLU 60 -6.357 5.360 -4.432 511 HA GLU 60 HA GLU 60 -8.280 6.334 -2.404 512 HB2 GLU 60 2HB GLU 60 -7.206 8.059 -3.783 513 HB3 GLU 60 3HB GLU 60 -7.684 7.234 -5.262 514 HG2 GLU 60 2HG GLU 60 -10.056 7.685 -4.735 515 HG3 GLU 60 3HG GLU 60 -9.580 8.537 -3.271 516 H ARG 61 H ARG 61 -10.554 6.154 -2.836 517 HA ARG 61 HA ARG 61 -11.330 3.730 -4.218 518 HB2 ARG 61 2HB ARG 61 -12.356 4.351 -2.066 519 HB3 ARG 61 3HB ARG 61 -13.043 5.808 -2.775 520 HG2 ARG 61 2HG ARG 61 -14.662 4.633 -3.972 521 HG3 ARG 61 3HG ARG 61 -13.714 3.145 -4.013 522 HD2 ARG 61 2HD ARG 61 -15.673 2.928 -2.564 523 HD3 ARG 61 3HD ARG 61 -14.174 2.751 -1.659 524 HE ARG 61 HE ARG 61 -15.319 5.417 -1.636 525 HH11 ARG 61 1HH1 ARG 61 -15.175 2.308 0.019 526 HH12 ARG 61 2HH1 ARG 61 -15.707 2.954 1.538 527 HH21 ARG 61 1HH2 ARG 61 -16.012 6.252 0.373 528 HH22 ARG 61 2HH2 ARG 61 -16.181 5.194 1.738 529 H GLN 62 H GLN 62 -12.358 3.511 -6.083 530 HA GLN 62 HA GLN 62 -13.432 5.835 -7.572 531 HB2 GLN 62 2HB GLN 62 -11.302 4.946 -8.575 532 HB3 GLN 62 3HB GLN 62 -12.040 3.362 -8.729 533 HG2 GLN 62 2HG GLN 62 -13.678 4.243 -10.321 534 HG3 GLN 62 3HG GLN 62 -13.033 5.876 -10.114 535 HE21 GLN 62 1HE2 GLN 62 -12.580 6.025 -12.346 536 HE22 GLN 62 2HE2 GLN 62 -11.265 5.175 -13.080 537 H GLY 63 H GLY 63 -15.608 5.567 -7.262 538 HA2 GLY 63 2HA GLY 63 -17.707 4.627 -7.240 539 HA3 GLY 63 3HA GLY 63 -17.055 3.270 -8.147 540 H ASN 64 H ASN 64 -17.081 1.339 -7.103 541 HA ASN 64 HA ASN 64 -17.048 1.249 -4.147 542 HB2 ASN 64 2HB ASN 64 -17.838 -1.033 -4.304 543 HB3 ASN 64 3HB ASN 64 -18.838 -0.042 -5.357 544 HD21 ASN 64 1HD2 ASN 64 -16.445 -2.592 -5.235 545 HD22 ASN 64 2HD2 ASN 64 -16.575 -3.060 -6.894 546 H THR 65 H THR 65 -15.002 0.806 -6.866 547 HA THR 65 HA THR 65 -13.304 -1.234 -5.643 548 HB THR 65 HB THR 65 -12.021 -1.072 -7.829 549 HG1 THR 65 HG1 THR 65 -13.122 1.187 -8.162 550 HG21 THR 65 1HG2 THR 65 -15.002 -1.596 -8.123 551 HG22 THR 65 2HG2 THR 65 -13.805 -2.763 -7.555 552 HG23 THR 65 3HG2 THR 65 -13.735 -2.164 -9.212 553 H TRP 66 H TRP 66 -10.817 -0.741 -6.035 554 HA TRP 66 HA TRP 66 -10.191 1.951 -4.945 555 HB2 TRP 66 2HB TRP 66 -9.008 -0.743 -4.057 556 HB3 TRP 66 3HB TRP 66 -8.465 0.840 -3.497 557 HD1 TRP 66 HD1 TRP 66 -11.284 -1.688 -3.036 558 HE1 TRP 66 HE1 TRP 66 -12.771 -0.961 -1.062 559 HE3 TRP 66 HE3 TRP 66 -9.268 2.938 -2.161 560 HZ2 TRP 66 HZ2 TRP 66 -13.042 1.274 0.646 561 HZ3 TRP 66 HZ3 TRP 66 -10.192 4.303 -0.332 562 HH2 TRP 66 HH2 TRP 66 -12.041 3.486 1.043 563 H THR 67 H THR 67 -8.073 2.746 -5.543 564 HA THR 67 HA THR 67 -6.737 1.469 -7.801 565 HB THR 67 HB THR 67 -8.639 2.656 -8.856 566 HG1 THR 67 HG1 THR 67 -7.407 3.766 -10.370 567 HG21 THR 67 1HG2 THR 67 -8.842 5.100 -8.842 568 HG22 THR 67 2HG2 THR 67 -7.470 5.235 -7.741 569 HG23 THR 67 3HG2 THR 67 -8.967 4.481 -7.191 570 H VAL 68 H VAL 68 -4.623 2.040 -7.955 571 HA VAL 68 HA VAL 68 -3.466 3.572 -5.759 572 HB VAL 68 HB VAL 68 -2.207 1.864 -7.961 573 HG11 VAL 68 1HG1 VAL 68 -0.762 3.236 -5.656 574 HG12 VAL 68 2HG1 VAL 68 -0.583 3.599 -7.374 575 HG13 VAL 68 3HG1 VAL 68 -0.055 2.040 -6.745 576 HG21 VAL 68 1HG2 VAL 68 -3.450 0.591 -6.281 577 HG22 VAL 68 2HG2 VAL 68 -2.535 1.356 -4.980 578 HG23 VAL 68 3HG2 VAL 68 -1.721 0.290 -6.124 579 H LYS 69 H LYS 69 -2.734 5.594 -5.912 580 HA LYS 69 HA LYS 69 -2.746 7.066 -8.410 581 HB2 LYS 69 2HB LYS 69 -1.896 7.923 -5.600 582 HB3 LYS 69 3HB LYS 69 -2.064 9.003 -6.980 583 HG2 LYS 69 2HG LYS 69 -4.286 7.438 -5.648 584 HG3 LYS 69 3HG LYS 69 -3.997 9.173 -5.512 585 HD2 LYS 69 2HD LYS 69 -4.418 9.398 -7.966 586 HD3 LYS 69 3HD LYS 69 -4.771 7.670 -8.038 587 HE2 LYS 69 2HE LYS 69 -6.616 8.030 -6.405 588 HE3 LYS 69 3HE LYS 69 -6.307 9.765 -6.483 589 HZ1 LYS 69 1HZ LYS 69 -6.828 9.692 -8.850 590 HZ2 LYS 69 2HZ LYS 69 -8.128 9.128 -7.930 591 HZ3 LYS 69 3HZ LYS 69 -7.139 8.034 -8.755 592 H ARG 70 H ARG 70 -0.342 6.090 -5.984 593 HA ARG 70 HA ARG 70 1.758 5.665 -7.841 594 HB2 ARG 70 2HB ARG 70 3.256 7.489 -7.376 595 HB3 ARG 70 3HB ARG 70 1.704 8.224 -7.753 596 HG2 ARG 70 2HG ARG 70 1.274 8.511 -5.307 597 HG3 ARG 70 3HG ARG 70 2.875 7.843 -4.979 598 HD2 ARG 70 2HD ARG 70 3.818 9.743 -6.401 599 HD3 ARG 70 3HD ARG 70 2.201 10.456 -6.364 600 HE ARG 70 HE ARG 70 4.148 10.488 -4.299 601 HH11 ARG 70 1HH1 ARG 70 0.647 10.397 -4.715 602 HH12 ARG 70 2HH1 ARG 70 0.350 11.088 -3.154 603 HH21 ARG 70 1HH2 ARG 70 3.725 11.300 -2.271 604 HH22 ARG 70 2HH2 ARG 70 2.088 11.600 -1.772 605 H ILE 71 H ILE 71 3.822 5.189 -6.719 606 HA ILE 71 HA ILE 71 3.499 4.306 -3.901 607 HB ILE 71 HB ILE 71 5.255 3.102 -6.090 608 HG12 ILE 71 2HG1 ILE 71 2.769 1.986 -4.704 609 HG13 ILE 71 3HG1 ILE 71 2.874 2.509 -6.380 610 HG21 ILE 71 1HG2 ILE 71 6.368 3.003 -3.901 611 HG22 ILE 71 2HG2 ILE 71 5.882 1.394 -4.425 612 HG23 ILE 71 3HG2 ILE 71 4.944 2.238 -3.190 613 HD11 ILE 71 1HD1 ILE 71 4.542 0.697 -6.756 614 HD12 ILE 71 2HD1 ILE 71 2.921 0.164 -6.332 615 HD13 ILE 71 3HD1 ILE 71 4.195 0.126 -5.119 616 H THR 72 H THR 72 4.488 5.828 -2.691 617 HA THR 72 HA THR 72 7.006 7.075 -3.607 618 HB THR 72 HB THR 72 5.215 7.863 -1.251 619 HG1 THR 72 HG1 THR 72 5.440 9.101 -3.806 620 HG21 THR 72 1HG2 THR 72 6.471 9.970 -1.275 621 HG22 THR 72 2HG2 THR 72 7.460 9.403 -2.620 622 HG23 THR 72 3HG2 THR 72 7.584 8.618 -1.042 623 H ARG 73 H ARG 73 8.872 6.237 -2.788 624 HA ARG 73 HA ARG 73 8.908 4.625 -0.357 625 HB2 ARG 73 2HB ARG 73 10.404 4.173 -2.370 626 HB3 ARG 73 3HB ARG 73 11.277 5.657 -2.000 627 HG2 ARG 73 2HG ARG 73 11.870 4.703 0.239 628 HG3 ARG 73 3HG ARG 73 11.088 3.188 -0.227 629 HD2 ARG 73 2HD ARG 73 13.489 2.999 -0.546 630 HD3 ARG 73 3HD ARG 73 12.707 2.990 -2.132 631 HE ARG 73 HE ARG 73 13.357 5.623 -1.637 632 HH11 ARG 73 1HH1 ARG 73 15.208 2.621 -1.899 633 HH12 ARG 73 2HH1 ARG 73 16.644 3.434 -2.450 634 HH21 ARG 73 1HH2 ARG 73 15.266 6.659 -2.327 635 HH22 ARG 73 2HH2 ARG 73 16.670 5.706 -2.694 636 H THR 74 H THR 74 9.810 5.294 1.620 637 HA THR 74 HA THR 74 9.823 8.015 2.383 638 HB THR 74 HB THR 74 9.473 6.180 4.002 639 HG1 THR 74 HG1 THR 74 11.800 7.261 5.044 640 HG21 THR 74 1HG2 THR 74 12.436 5.551 3.666 641 HG22 THR 74 2HG2 THR 74 11.105 4.526 3.123 642 HG23 THR 74 3HG2 THR 74 11.338 4.819 4.844 643 H VAL 75 H VAL 75 11.622 9.411 2.890 644 HA VAL 75 HA VAL 75 13.928 9.210 1.252 645 HB VAL 75 HB VAL 75 13.168 11.404 1.966 646 HG11 VAL 75 1HG1 VAL 75 13.888 10.665 4.820 647 HG12 VAL 75 2HG1 VAL 75 12.264 10.911 4.176 648 HG13 VAL 75 3HG1 VAL 75 13.390 12.265 4.259 649 HG21 VAL 75 1HG2 VAL 75 15.318 12.422 2.632 650 HG22 VAL 75 2HG2 VAL 75 15.548 11.173 1.406 651 HG23 VAL 75 3HG2 VAL 75 15.936 10.832 3.093 652 H GLY 76 H GLY 76 15.460 7.837 1.468 653 HA2 GLY 76 2HA GLY 76 17.167 7.035 3.370 654 HA3 GLY 76 3HA GLY 76 15.730 6.100 3.801 655 H SER 77 H SER 77 18.305 5.101 2.815 656 HA SER 77 HA SER 77 19.179 3.548 1.418 657 HB2 SER 77 2HB SER 77 16.960 2.403 1.921 658 HB3 SER 77 3HB SER 77 16.318 3.082 0.426 659 HG SER 77 HG SER 77 17.197 1.457 -0.558 660 H LEU 78 H LEU 78 19.078 6.300 0.630 661 HA LEU 78 HA LEU 78 19.129 6.100 -2.327 662 HB2 LEU 78 2HB LEU 78 18.304 8.290 -2.602 663 HB3 LEU 78 3HB LEU 78 17.250 7.566 -1.407 664 HG LEU 78 HG LEU 78 19.509 9.495 -0.708 665 HD11 LEU 78 1HD1 LEU 78 17.843 10.650 -2.096 666 HD12 LEU 78 2HD1 LEU 78 17.813 11.241 -0.438 667 HD13 LEU 78 3HD1 LEU 78 16.554 10.135 -1.004 668 HD21 LEU 78 1HD2 LEU 78 18.382 9.735 1.450 669 HD22 LEU 78 2HD2 LEU 78 18.863 8.064 1.168 670 HD23 LEU 78 3HD2 LEU 78 17.173 8.538 0.972 671 H GLU 79 H GLU 79 20.485 8.082 -3.203 672 HA GLU 79 HA GLU 79 23.162 7.893 -2.234 673 HB2 GLU 79 2HB GLU 79 22.728 8.315 -4.614 674 HB3 GLU 79 3HB GLU 79 21.888 9.815 -4.237 675 HG2 GLU 79 2HG GLU 79 24.021 10.780 -3.391 676 HG3 GLU 79 3HG GLU 79 24.847 9.280 -3.802 677 H HIS 80 H HIS 80 23.863 8.850 -0.389 678 HA HIS 80 HA HIS 80 22.736 11.226 0.772 679 HB2 HIS 80 2HB HIS 80 25.421 9.849 1.247 680 HB3 HIS 80 3HB HIS 80 24.848 11.224 2.186 681 HD1 HIS 80 HD1 HIS 80 24.873 7.624 2.199 682 HD2 HIS 80 HD2 HIS 80 22.307 10.568 3.620 683 HE1 HIS 80 HE1 HIS 80 23.488 6.505 3.972 684 HE2 HIS 80 HE2 HIS 80 22.017 8.335 4.878 685 H HIS 81 H HIS 81 22.729 12.935 -0.624 686 HA HIS 81 HA HIS 81 24.762 13.525 -2.527 687 HB2 HIS 81 2HB HIS 81 22.368 15.091 -1.508 688 HB3 HIS 81 3HB HIS 81 23.463 15.755 -2.718 689 HD1 HIS 81 HD1 HIS 81 21.225 12.694 -2.264 690 HD2 HIS 81 HD2 HIS 81 22.779 15.102 -5.279 691 HE1 HIS 81 HE1 HIS 81 20.208 11.848 -4.393 692 HE2 HIS 81 HE2 HIS 81 21.351 13.153 -6.208 693 H HIS 82 H HIS 82 26.691 14.440 -2.173 694 HA HIS 82 HA HIS 82 27.490 15.656 0.292 695 HB2 HIS 82 2HB HIS 82 28.857 15.892 -2.430 696 HB3 HIS 82 3HB HIS 82 29.595 16.224 -0.870 697 HD1 HIS 82 HD1 HIS 82 30.300 14.012 -3.202 698 HD2 HIS 82 HD2 HIS 82 28.797 13.376 0.620 699 HE1 HIS 82 HE1 HIS 82 30.942 11.657 -2.613 700 HE2 HIS 82 HE2 HIS 82 29.821 11.231 -0.402 701 H HIS 83 H HIS 83 26.557 16.817 -2.879 702 HA HIS 83 HA HIS 83 25.418 19.270 -1.904 703 HB2 HIS 83 2HB HIS 83 26.793 20.779 -3.338 704 HB3 HIS 83 3HB HIS 83 27.771 19.996 -2.104 705 HD1 HIS 83 HD1 HIS 83 29.666 18.465 -2.900 706 HD2 HIS 83 HD2 HIS 83 27.352 19.950 -6.021 707 HE1 HIS 83 HE1 HIS 83 30.927 17.908 -5.000 708 HE2 HIS 83 HE2 HIS 83 29.446 18.692 -6.871 709 H HIS 84 H HIS 84 24.914 20.589 -4.235 710 HA HIS 84 HA HIS 84 24.424 18.889 -6.498 711 HB2 HIS 84 2HB HIS 84 21.935 19.191 -6.573 712 HB3 HIS 84 3HB HIS 84 22.453 18.205 -5.214 713 HD1 HIS 84 HD1 HIS 84 20.461 21.145 -6.043 714 HD2 HIS 84 HD2 HIS 84 22.333 19.622 -2.658 715 HE1 HIS 84 HE1 HIS 84 19.463 22.391 -4.105 716 HE2 HIS 84 HE2 HIS 84 20.753 21.598 -2.102 717 H HIS 85 H HIS 85 25.080 20.208 -8.123 718 HA HIS 85 HA HIS 85 25.353 23.032 -7.714 719 HB2 HIS 85 2HB HIS 85 26.352 23.076 -10.031 720 HB3 HIS 85 3HB HIS 85 27.128 21.954 -8.930 721 HD1 HIS 85 HD1 HIS 85 27.101 19.474 -9.562 722 HD2 HIS 85 HD2 HIS 85 24.976 21.845 -12.231 723 HE1 HIS 85 HE1 HIS 85 26.626 18.001 -11.538 724 HE2 HIS 85 HE2 HIS 85 25.459 19.492 -13.192 Start of MODEL 18 1 H1 MET 1 1H MET 1 -17.457 -3.554 -1.098 2 H2 MET 1 2H MET 1 -17.879 -5.025 -0.400 3 H3 MET 1 3H MET 1 -16.295 -4.761 -0.906 4 HA MET 1 HA MET 1 -16.458 -4.609 1.475 5 HB2 MET 1 2HB MET 1 -16.066 -1.851 0.236 6 HB3 MET 1 3HB MET 1 -15.387 -2.414 1.760 7 HG2 MET 1 2HG MET 1 -13.950 -3.969 0.606 8 HG3 MET 1 3HG MET 1 -14.720 -3.600 -0.939 9 HE1 MET 1 1HE MET 1 -13.632 0.217 -1.330 10 HE2 MET 1 2HE MET 1 -15.064 -0.335 -0.459 11 HE3 MET 1 3HE MET 1 -14.638 -1.058 -2.009 12 HA PRO 2 HA PRO 2 -20.749 -3.136 2.399 13 HB2 PRO 2 2HB PRO 2 -20.822 -4.261 4.946 14 HB3 PRO 2 3HB PRO 2 -21.223 -5.146 3.458 15 HG2 PRO 2 2HG PRO 2 -18.624 -5.098 4.972 16 HG3 PRO 2 3HG PRO 2 -19.497 -6.493 4.294 17 HD2 PRO 2 2HD PRO 2 -17.388 -5.446 3.009 18 HD3 PRO 2 3HD PRO 2 -18.800 -6.026 2.094 19 H SER 3 H SER 3 -17.892 -2.879 4.573 20 HA SER 3 HA SER 3 -18.697 -0.131 5.287 21 HB2 SER 3 2HB SER 3 -17.905 -2.258 7.318 22 HB3 SER 3 3HB SER 3 -18.190 -0.554 7.685 23 HG SER 3 HG SER 3 -20.350 -0.978 6.717 24 H GLU 4 H GLU 4 -16.762 0.646 6.920 25 HA GLU 4 HA GLU 4 -14.774 1.296 5.024 26 HB2 GLU 4 2HB GLU 4 -13.832 2.776 6.659 27 HB3 GLU 4 3HB GLU 4 -15.579 2.857 6.828 28 HG2 GLU 4 2HG GLU 4 -13.750 1.249 8.659 29 HG3 GLU 4 3HG GLU 4 -14.318 2.882 8.999 30 H GLU 5 H GLU 5 -14.742 -0.978 7.753 31 HA GLU 5 HA GLU 5 -11.931 -1.312 7.975 32 HB2 GLU 5 2HB GLU 5 -13.484 -1.943 9.752 33 HB3 GLU 5 3HB GLU 5 -14.197 -3.197 8.740 34 HG2 GLU 5 2HG GLU 5 -12.097 -4.453 8.782 35 HG3 GLU 5 3HG GLU 5 -11.324 -3.165 9.706 36 H GLU 6 H GLU 6 -14.320 -2.756 5.893 37 HA GLU 6 HA GLU 6 -12.728 -4.913 4.920 38 HB2 GLU 6 2HB GLU 6 -15.301 -3.668 3.920 39 HB3 GLU 6 3HB GLU 6 -14.511 -4.993 3.075 40 HG2 GLU 6 2HG GLU 6 -16.279 -5.858 4.479 41 HG3 GLU 6 3HG GLU 6 -14.715 -6.417 5.068 42 H GLU 7 H GLU 7 -13.084 -1.549 4.023 43 HA GLU 7 HA GLU 7 -11.867 -1.461 1.511 44 HB2 GLU 7 2HB GLU 7 -11.481 0.517 3.800 45 HB3 GLU 7 3HB GLU 7 -11.070 0.820 2.111 46 HG2 GLU 7 2HG GLU 7 -13.466 0.652 1.513 47 HG3 GLU 7 3HG GLU 7 -13.860 0.386 3.217 48 H LYS 8 H LYS 8 -10.431 -1.280 4.751 49 HA LYS 8 HA LYS 8 -7.744 -0.975 4.057 50 HB2 LYS 8 2HB LYS 8 -9.003 -2.143 6.580 51 HB3 LYS 8 3HB LYS 8 -7.267 -1.910 6.407 52 HG2 LYS 8 2HG LYS 8 -8.138 -0.070 7.671 53 HG3 LYS 8 3HG LYS 8 -7.654 0.533 6.087 54 HD2 LYS 8 2HD LYS 8 -10.016 0.547 5.364 55 HD3 LYS 8 3HD LYS 8 -10.506 -0.108 6.927 56 HE2 LYS 8 2HE LYS 8 -9.181 2.592 6.497 57 HE3 LYS 8 3HE LYS 8 -10.907 2.327 6.764 58 HZ1 LYS 8 1HZ LYS 8 -9.703 2.981 8.779 59 HZ2 LYS 8 2HZ LYS 8 -8.772 1.579 8.681 60 HZ3 LYS 8 3HZ LYS 8 -10.434 1.469 8.940 61 H ARG 9 H ARG 9 -9.676 -3.882 4.634 62 HA ARG 9 HA ARG 9 -7.762 -5.909 4.537 63 HB2 ARG 9 2HB ARG 9 -10.611 -6.018 3.432 64 HB3 ARG 9 3HB ARG 9 -9.620 -7.417 3.855 65 HG2 ARG 9 2HG ARG 9 -9.641 -6.710 6.220 66 HG3 ARG 9 3HG ARG 9 -10.630 -5.308 5.793 67 HD2 ARG 9 2HD ARG 9 -12.395 -6.892 4.960 68 HD3 ARG 9 3HD ARG 9 -11.411 -8.238 5.545 69 HE ARG 9 HE ARG 9 -12.856 -6.249 7.165 70 HH11 ARG 9 1HH1 ARG 9 -10.971 -9.225 7.045 71 HH12 ARG 9 2HH1 ARG 9 -11.360 -9.659 8.677 72 HH21 ARG 9 1HH2 ARG 9 -13.310 -6.820 9.278 73 HH22 ARG 9 2HH2 ARG 9 -12.682 -8.298 9.936 74 H GLN 10 H GLN 10 -9.591 -4.364 1.888 75 HA GLN 10 HA GLN 10 -8.409 -5.907 -0.220 76 HB2 GLN 10 2HB GLN 10 -9.823 -3.214 -0.507 77 HB3 GLN 10 3HB GLN 10 -9.542 -4.400 -1.781 78 HG2 GLN 10 2HG GLN 10 -11.389 -4.681 0.601 79 HG3 GLN 10 3HG GLN 10 -11.862 -4.498 -1.083 80 HE21 GLN 10 1HE2 GLN 10 -12.523 -6.594 0.876 81 HE22 GLN 10 2HE2 GLN 10 -12.016 -8.090 0.179 82 H VAL 11 H VAL 11 -7.833 -2.605 1.029 83 HA VAL 11 HA VAL 11 -6.231 -1.719 -1.109 84 HB VAL 11 HB VAL 11 -6.343 -0.534 1.707 85 HG11 VAL 11 1HG1 VAL 11 -5.639 1.585 0.630 86 HG12 VAL 11 2HG1 VAL 11 -5.505 0.751 -0.921 87 HG13 VAL 11 3HG1 VAL 11 -4.426 0.319 0.404 88 HG21 VAL 11 1HG2 VAL 11 -8.588 -0.671 0.677 89 HG22 VAL 11 2HG2 VAL 11 -7.996 0.205 -0.730 90 HG23 VAL 11 3HG2 VAL 11 -8.054 1.001 0.847 91 H LYS 12 H LYS 12 -5.374 -3.172 2.039 92 HA LYS 12 HA LYS 12 -2.567 -2.783 1.939 93 HB2 LYS 12 2HB LYS 12 -4.153 -5.038 3.223 94 HB3 LYS 12 3HB LYS 12 -2.434 -4.757 3.493 95 HG2 LYS 12 2HG LYS 12 -2.909 -2.613 4.558 96 HG3 LYS 12 3HG LYS 12 -4.635 -2.789 4.210 97 HD2 LYS 12 2HD LYS 12 -2.977 -4.598 6.017 98 HD3 LYS 12 3HD LYS 12 -4.152 -3.394 6.554 99 HE2 LYS 12 2HE LYS 12 -5.983 -4.669 5.542 100 HE3 LYS 12 3HE LYS 12 -4.843 -5.816 4.838 101 HZ1 LYS 12 1HZ LYS 12 -5.331 -5.396 7.725 102 HZ2 LYS 12 2HZ LYS 12 -4.197 -6.456 7.074 103 HZ3 LYS 12 3HZ LYS 12 -5.842 -6.719 6.802 104 H GLN 13 H GLN 13 -4.688 -5.355 0.739 105 HA GLN 13 HA GLN 13 -2.666 -7.073 -0.288 106 HB2 GLN 13 2HB GLN 13 -4.914 -7.922 0.189 107 HB3 GLN 13 3HB GLN 13 -5.620 -6.839 -1.005 108 HG2 GLN 13 2HG GLN 13 -4.445 -8.054 -2.803 109 HG3 GLN 13 3HG GLN 13 -3.709 -9.117 -1.609 110 HE21 GLN 13 1HE2 GLN 13 -7.095 -8.051 -1.457 111 HE22 GLN 13 2HE2 GLN 13 -7.761 -9.608 -1.790 112 H VAL 14 H VAL 14 -4.653 -4.511 -1.778 113 HA VAL 14 HA VAL 14 -3.774 -4.739 -4.443 114 HB VAL 14 HB VAL 14 -4.721 -2.229 -2.960 115 HG11 VAL 14 1HG1 VAL 14 -3.560 -1.635 -5.047 116 HG12 VAL 14 2HG1 VAL 14 -5.291 -1.323 -5.194 117 HG13 VAL 14 3HG1 VAL 14 -4.585 -2.752 -5.953 118 HG21 VAL 14 1HG2 VAL 14 -6.958 -2.694 -3.926 119 HG22 VAL 14 2HG2 VAL 14 -6.425 -4.021 -2.895 120 HG23 VAL 14 3HG2 VAL 14 -6.340 -4.184 -4.645 121 H ALA 15 H ALA 15 -2.561 -2.940 -1.665 122 HA ALA 15 HA ALA 15 -0.614 -1.365 -3.003 123 HB1 ALA 15 1HB ALA 15 0.090 -0.730 -0.733 124 HB2 ALA 15 2HB ALA 15 -0.913 -2.016 -0.053 125 HB3 ALA 15 3HB ALA 15 -1.663 -0.663 -0.902 126 H LYS 16 H LYS 16 -0.448 -4.429 -1.159 127 HA LYS 16 HA LYS 16 2.388 -4.584 -1.090 128 HB2 LYS 16 2HB LYS 16 2.157 -6.855 -0.295 129 HB3 LYS 16 3HB LYS 16 0.936 -5.865 0.488 130 HG2 LYS 16 2HG LYS 16 -0.808 -6.800 -0.854 131 HG3 LYS 16 3HG LYS 16 0.335 -7.595 -1.928 132 HD2 LYS 16 2HD LYS 16 -0.052 -8.279 1.012 133 HD3 LYS 16 3HD LYS 16 -0.783 -9.153 -0.337 134 HE2 LYS 16 2HE LYS 16 1.543 -9.645 -1.193 135 HE3 LYS 16 3HE LYS 16 2.185 -8.914 0.281 136 HZ1 LYS 16 1HZ LYS 16 2.044 -11.319 0.447 137 HZ2 LYS 16 2HZ LYS 16 0.375 -11.268 0.183 138 HZ3 LYS 16 3HZ LYS 16 1.030 -10.576 1.575 139 H GLU 17 H GLU 17 -0.083 -5.753 -3.355 140 HA GLU 17 HA GLU 17 1.463 -7.415 -5.010 141 HB2 GLU 17 2HB GLU 17 -0.927 -5.653 -5.724 142 HB3 GLU 17 3HB GLU 17 -0.231 -6.849 -6.817 143 HG2 GLU 17 2HG GLU 17 -0.833 -8.656 -5.293 144 HG3 GLU 17 3HG GLU 17 -1.440 -7.496 -4.114 145 H LYS 18 H LYS 18 0.812 -3.916 -5.137 146 HA LYS 18 HA LYS 18 2.129 -3.204 -7.492 147 HB2 LYS 18 2HB LYS 18 1.886 -1.566 -4.928 148 HB3 LYS 18 3HB LYS 18 2.256 -0.913 -6.522 149 HG2 LYS 18 2HG LYS 18 -0.331 -2.255 -5.702 150 HG3 LYS 18 3HG LYS 18 -0.083 -0.521 -5.886 151 HD2 LYS 18 2HD LYS 18 0.157 -2.565 -8.138 152 HD3 LYS 18 3HD LYS 18 -1.263 -1.569 -7.821 153 HE2 LYS 18 2HE LYS 18 0.002 0.466 -8.285 154 HE3 LYS 18 3HE LYS 18 1.487 -0.467 -8.493 155 HZ1 LYS 18 1HZ LYS 18 -0.942 -0.689 -10.186 156 HZ2 LYS 18 2HZ LYS 18 0.482 -1.573 -10.379 157 HZ3 LYS 18 3HZ LYS 18 0.495 0.096 -10.612 158 H LEU 19 H LEU 19 3.343 -3.454 -4.176 159 HA LEU 19 HA LEU 19 6.015 -2.606 -4.739 160 HB2 LEU 19 2HB LEU 19 4.955 -4.154 -2.348 161 HB3 LEU 19 3HB LEU 19 6.508 -3.332 -2.438 162 HG LEU 19 HG LEU 19 3.750 -2.063 -2.362 163 HD11 LEU 19 1HD1 LEU 19 4.614 -2.732 -0.195 164 HD12 LEU 19 2HD1 LEU 19 4.579 -0.976 -0.326 165 HD13 LEU 19 3HD1 LEU 19 6.112 -1.842 -0.482 166 HD21 LEU 19 1HD2 LEU 19 5.033 -0.812 -4.009 167 HD22 LEU 19 2HD2 LEU 19 6.394 -0.663 -2.896 168 HD23 LEU 19 3HD2 LEU 19 4.865 0.142 -2.536 169 H LEU 20 H LEU 20 4.379 -5.707 -4.736 170 HA LEU 20 HA LEU 20 6.745 -7.331 -4.934 171 HB2 LEU 20 2HB LEU 20 3.816 -7.957 -5.469 172 HB3 LEU 20 3HB LEU 20 5.098 -9.156 -5.578 173 HG LEU 20 HG LEU 20 4.353 -7.646 -3.038 174 HD11 LEU 20 1HD1 LEU 20 3.703 -10.504 -3.809 175 HD12 LEU 20 2HD1 LEU 20 2.559 -9.162 -3.688 176 HD13 LEU 20 3HD1 LEU 20 3.380 -9.747 -2.244 177 HD21 LEU 20 1HD2 LEU 20 6.715 -8.280 -3.046 178 HD22 LEU 20 2HD2 LEU 20 6.294 -9.953 -3.425 179 HD23 LEU 20 3HD2 LEU 20 5.817 -9.248 -1.878 180 H GLU 21 H GLU 21 4.707 -5.608 -7.227 181 HA GLU 21 HA GLU 21 5.577 -6.944 -9.598 182 HB2 GLU 21 2HB GLU 21 4.643 -4.047 -9.339 183 HB3 GLU 21 3HB GLU 21 4.752 -4.965 -10.837 184 HG2 GLU 21 2HG GLU 21 2.813 -5.363 -8.552 185 HG3 GLU 21 3HG GLU 21 2.449 -4.873 -10.202 186 H GLN 22 H GLN 22 6.829 -4.333 -7.646 187 HA GLN 22 HA GLN 22 9.022 -3.689 -9.459 188 HB2 GLN 22 2HB GLN 22 8.234 -2.583 -6.729 189 HB3 GLN 22 3HB GLN 22 9.532 -1.944 -7.741 190 HG2 GLN 22 2HG GLN 22 7.951 -1.282 -9.463 191 HG3 GLN 22 3HG GLN 22 6.625 -2.074 -8.613 192 HE21 GLN 22 1HE2 GLN 22 5.720 -1.072 -6.818 193 HE22 GLN 22 2HE2 GLN 22 6.020 0.580 -6.437 194 H SER 23 H SER 23 8.464 -5.545 -6.522 195 HA SER 23 HA SER 23 11.141 -6.677 -6.658 196 HB2 SER 23 2HB SER 23 11.469 -4.707 -5.169 197 HB3 SER 23 3HB SER 23 10.209 -5.309 -4.093 198 HG SER 23 HG SER 23 12.510 -6.823 -4.759 199 HA PRO 24 HA PRO 24 8.007 -9.881 -5.444 200 HB2 PRO 24 2HB PRO 24 8.612 -11.733 -7.330 201 HB3 PRO 24 3HB PRO 24 7.620 -10.310 -7.721 202 HG2 PRO 24 2HG PRO 24 10.550 -10.753 -8.245 203 HG3 PRO 24 3HG PRO 24 9.305 -10.085 -9.327 204 HD2 PRO 24 2HD PRO 24 11.047 -8.510 -7.875 205 HD3 PRO 24 3HD PRO 24 9.433 -7.966 -8.385 206 H ASN 25 H ASN 25 11.384 -9.599 -5.445 207 HA ASN 25 HA ASN 25 11.975 -12.266 -4.380 208 HB2 ASN 25 2HB ASN 25 13.817 -9.895 -4.930 209 HB3 ASN 25 3HB ASN 25 14.353 -11.487 -4.400 210 HD21 ASN 25 1HD2 ASN 25 12.526 -12.998 -6.109 211 HD22 ASN 25 2HD2 ASN 25 13.103 -12.806 -7.723 212 H SER 26 H SER 26 10.599 -9.680 -3.016 213 HA SER 26 HA SER 26 11.730 -10.299 -0.352 214 HB2 SER 26 2HB SER 26 12.583 -8.083 -1.073 215 HB3 SER 26 3HB SER 26 10.934 -7.527 -1.361 216 HG SER 26 HG SER 26 12.311 -7.874 1.016 217 H LYS 27 H LYS 27 10.208 -9.926 1.387 218 HA LYS 27 HA LYS 27 7.399 -10.404 0.630 219 HB2 LYS 27 2HB LYS 27 8.487 -12.092 2.090 220 HB3 LYS 27 3HB LYS 27 8.848 -10.846 3.281 221 HG2 LYS 27 2HG LYS 27 6.458 -10.517 3.717 222 HG3 LYS 27 3HG LYS 27 6.040 -11.658 2.437 223 HD2 LYS 27 2HD LYS 27 7.566 -12.356 4.975 224 HD3 LYS 27 3HD LYS 27 5.844 -12.646 4.717 225 HE2 LYS 27 2HE LYS 27 6.391 -14.173 2.839 226 HE3 LYS 27 3HE LYS 27 8.111 -13.878 3.102 227 HZ1 LYS 27 1HZ LYS 27 7.870 -14.829 5.321 228 HZ2 LYS 27 2HZ LYS 27 7.444 -15.931 4.117 229 HZ3 LYS 27 3HZ LYS 27 6.243 -15.157 5.015 230 H VAL 28 H VAL 28 5.865 -8.912 1.092 231 HA VAL 28 HA VAL 28 6.667 -6.345 2.287 232 HB VAL 28 HB VAL 28 4.124 -7.000 0.718 233 HG11 VAL 28 1HG1 VAL 28 5.362 -4.335 1.502 234 HG12 VAL 28 2HG1 VAL 28 3.902 -5.043 2.198 235 HG13 VAL 28 3HG1 VAL 28 3.917 -4.535 0.506 236 HG21 VAL 28 1HG2 VAL 28 6.103 -7.304 -0.728 237 HG22 VAL 28 2HG2 VAL 28 6.678 -5.693 -0.295 238 HG23 VAL 28 3HG2 VAL 28 5.182 -5.875 -1.216 239 H GLN 29 H GLN 29 5.902 -5.759 4.219 240 HA GLN 29 HA GLN 29 3.752 -7.265 5.577 241 HB2 GLN 29 2HB GLN 29 6.009 -5.556 6.733 242 HB3 GLN 29 3HB GLN 29 4.779 -6.382 7.683 243 HG2 GLN 29 2HG GLN 29 6.962 -7.677 6.015 244 HG3 GLN 29 3HG GLN 29 6.861 -7.627 7.774 245 HE21 GLN 29 1HE2 GLN 29 5.690 -9.165 4.885 246 HE22 GLN 29 2HE2 GLN 29 4.805 -10.426 5.667 247 H VAL 30 H VAL 30 2.347 -5.947 6.967 248 HA VAL 30 HA VAL 30 1.732 -3.285 5.906 249 HB VAL 30 HB VAL 30 -0.189 -4.746 6.191 250 HG11 VAL 30 1HG1 VAL 30 0.686 -6.290 7.911 251 HG12 VAL 30 2HG1 VAL 30 -0.920 -5.697 8.336 252 HG13 VAL 30 3HG1 VAL 30 0.506 -5.034 9.139 253 HG21 VAL 30 1HG2 VAL 30 -1.640 -3.343 7.634 254 HG22 VAL 30 2HG2 VAL 30 -0.573 -2.358 6.629 255 HG23 VAL 30 3HG2 VAL 30 -0.206 -2.591 8.340 256 H ARG 31 H ARG 31 2.633 -1.551 6.821 257 HA ARG 31 HA ARG 31 3.865 -1.677 9.487 258 HB2 ARG 31 2HB ARG 31 5.203 -0.768 7.627 259 HB3 ARG 31 3HB ARG 31 3.982 0.454 7.304 260 HG2 ARG 31 2HG ARG 31 5.916 1.405 8.477 261 HG3 ARG 31 3HG ARG 31 4.454 1.537 9.458 262 HD2 ARG 31 2HD ARG 31 5.170 -0.368 10.829 263 HD3 ARG 31 3HD ARG 31 6.597 -0.602 9.807 264 HE ARG 31 HE ARG 31 6.718 2.005 10.717 265 HH11 ARG 31 1HH1 ARG 31 6.694 -1.167 12.254 266 HH12 ARG 31 2HH1 ARG 31 7.636 -0.632 13.609 267 HH21 ARG 31 1HH2 ARG 31 7.996 2.652 12.445 268 HH22 ARG 31 2HH2 ARG 31 8.374 1.533 13.719 269 H ARG 32 H ARG 32 1.755 0.624 7.714 270 HA ARG 32 HA ARG 32 -0.191 0.719 9.884 271 HB2 ARG 32 2HB ARG 32 1.423 3.152 9.019 272 HB3 ARG 32 3HB ARG 32 -0.211 3.353 9.641 273 HG2 ARG 32 2HG ARG 32 2.112 2.106 11.143 274 HG3 ARG 32 3HG ARG 32 1.492 3.742 11.373 275 HD2 ARG 32 2HD ARG 32 -0.641 2.863 12.179 276 HD3 ARG 32 3HD ARG 32 -0.139 1.210 11.820 277 HE ARG 32 HE ARG 32 1.738 2.204 13.591 278 HH11 ARG 32 1HH1 ARG 32 -1.750 1.677 13.639 279 HH12 ARG 32 2HH1 ARG 32 -1.800 1.394 15.350 280 HH21 ARG 32 1HH2 ARG 32 1.655 1.792 15.818 281 HH22 ARG 32 2HH2 ARG 32 0.136 1.459 16.585 282 H VAL 33 H VAL 33 -2.175 1.830 9.203 283 HA VAL 33 HA VAL 33 -2.475 2.287 6.287 284 HB VAL 33 HB VAL 33 -4.605 0.951 8.041 285 HG11 VAL 33 1HG1 VAL 33 -5.579 2.292 6.235 286 HG12 VAL 33 2HG1 VAL 33 -5.806 0.576 5.894 287 HG13 VAL 33 3HG1 VAL 33 -4.554 1.485 5.046 288 HG21 VAL 33 1HG2 VAL 33 -2.767 -0.646 7.659 289 HG22 VAL 33 2HG2 VAL 33 -2.864 -0.362 5.919 290 HG23 VAL 33 3HG2 VAL 33 -4.211 -1.131 6.764 291 H GLN 34 H GLN 34 -2.939 4.432 6.086 292 HA GLN 34 HA GLN 34 -4.446 5.845 8.204 293 HB2 GLN 34 2HB GLN 34 -2.641 6.844 5.962 294 HB3 GLN 34 3HB GLN 34 -3.704 7.925 6.851 295 HG2 GLN 34 2HG GLN 34 -1.544 8.137 7.829 296 HG3 GLN 34 3HG GLN 34 -2.545 7.242 8.968 297 HE21 GLN 34 1HE2 GLN 34 -0.630 6.505 9.977 298 HE22 GLN 34 2HE2 GLN 34 0.351 5.267 9.284 299 H LYS 35 H LYS 35 -6.522 6.282 7.897 300 HA LYS 35 HA LYS 35 -7.816 6.127 5.254 301 HB2 LYS 35 2HB LYS 35 -8.857 4.851 7.061 302 HB3 LYS 35 3HB LYS 35 -8.886 6.255 8.113 303 HG2 LYS 35 2HG LYS 35 -11.125 5.791 7.313 304 HG3 LYS 35 3HG LYS 35 -10.569 7.320 6.625 305 HD2 LYS 35 2HD LYS 35 -10.081 6.190 4.486 306 HD3 LYS 35 3HD LYS 35 -10.569 4.640 5.178 307 HE2 LYS 35 2HE LYS 35 -12.860 5.467 5.455 308 HE3 LYS 35 3HE LYS 35 -12.381 7.050 4.842 309 HZ1 LYS 35 1HZ LYS 35 -12.341 4.504 3.317 310 HZ2 LYS 35 2HZ LYS 35 -11.837 6.005 2.727 311 HZ3 LYS 35 3HZ LYS 35 -13.452 5.763 3.142 312 H GLN 36 H GLN 36 -7.756 8.043 4.157 313 HA GLN 36 HA GLN 36 -8.480 10.551 5.591 314 HB2 GLN 36 2HB GLN 36 -6.677 10.370 3.129 315 HB3 GLN 36 3HB GLN 36 -7.164 11.849 3.939 316 HG2 GLN 36 2HG GLN 36 -5.138 11.691 4.940 317 HG3 GLN 36 3HG GLN 36 -5.945 10.553 6.009 318 HE21 GLN 36 1HE2 GLN 36 -6.014 8.452 3.829 319 HE22 GLN 36 2HE2 GLN 36 -4.399 7.866 3.765 320 H GLY 37 H GLY 37 -10.630 9.656 5.128 321 HA2 GLY 37 2HA GLY 37 -12.638 9.736 4.057 322 HA3 GLY 37 3HA GLY 37 -11.962 11.041 3.099 323 H ASN 38 H ASN 38 -11.494 10.669 0.989 324 HA ASN 38 HA ASN 38 -12.448 8.242 -0.250 325 HB2 ASN 38 2HB ASN 38 -10.985 10.581 -1.570 326 HB3 ASN 38 3HB ASN 38 -11.965 9.359 -2.382 327 HD21 ASN 38 1HD2 ASN 38 -14.269 9.417 -2.085 328 HD22 ASN 38 2HD2 ASN 38 -15.054 10.873 -1.587 329 H THR 39 H THR 39 -9.274 9.708 0.351 330 HA THR 39 HA THR 39 -7.870 7.562 -1.090 331 HB THR 39 HB THR 39 -6.745 10.092 0.183 332 HG1 THR 39 HG1 THR 39 -6.987 9.785 -2.591 333 HG21 THR 39 1HG2 THR 39 -4.772 9.685 -1.277 334 HG22 THR 39 2HG2 THR 39 -5.485 8.165 -1.817 335 HG23 THR 39 3HG2 THR 39 -5.007 8.354 -0.130 336 H ILE 40 H ILE 40 -7.370 5.795 0.094 337 HA ILE 40 HA ILE 40 -6.470 6.032 2.891 338 HB ILE 40 HB ILE 40 -7.076 3.571 1.189 339 HG12 ILE 40 2HG1 ILE 40 -8.520 4.840 3.558 340 HG13 ILE 40 3HG1 ILE 40 -9.109 4.714 1.905 341 HG21 ILE 40 1HG2 ILE 40 -6.668 2.207 3.220 342 HG22 ILE 40 2HG2 ILE 40 -6.141 3.651 4.085 343 HG23 ILE 40 3HG2 ILE 40 -5.204 3.058 2.714 344 HD11 ILE 40 1HD1 ILE 40 -8.717 2.437 3.847 345 HD12 ILE 40 2HD1 ILE 40 -9.233 2.268 2.165 346 HD13 ILE 40 3HD1 ILE 40 -10.243 3.145 3.313 347 H ARG 41 H ARG 41 -4.365 6.354 3.203 348 HA ARG 41 HA ARG 41 -2.344 5.547 1.201 349 HB2 ARG 41 2HB ARG 41 -2.143 7.557 3.493 350 HB3 ARG 41 3HB ARG 41 -0.852 7.179 2.350 351 HG2 ARG 41 2HG ARG 41 -2.276 8.043 0.498 352 HG3 ARG 41 3HG ARG 41 -3.520 8.467 1.680 353 HD2 ARG 41 2HD ARG 41 -1.929 10.006 2.783 354 HD3 ARG 41 3HD ARG 41 -0.702 9.593 1.583 355 HE ARG 41 HE ARG 41 -2.153 10.620 -0.113 356 HH11 ARG 41 1HH1 ARG 41 -2.715 11.523 3.246 357 HH12 ARG 41 2HH1 ARG 41 -3.473 13.030 2.836 358 HH21 ARG 41 1HH2 ARG 41 -3.151 12.569 -0.631 359 HH22 ARG 41 2HH2 ARG 41 -3.720 13.626 0.620 360 H VAL 42 H VAL 42 -1.877 3.488 1.719 361 HA VAL 42 HA VAL 42 -1.548 2.581 4.475 362 HB VAL 42 HB VAL 42 -1.044 1.033 1.882 363 HG11 VAL 42 1HG1 VAL 42 -1.527 0.015 4.712 364 HG12 VAL 42 2HG1 VAL 42 0.020 0.003 3.862 365 HG13 VAL 42 3HG1 VAL 42 -1.314 -0.997 3.275 366 HG21 VAL 42 1HG2 VAL 42 -3.359 1.806 1.906 367 HG22 VAL 42 2HG2 VAL 42 -3.580 1.167 3.541 368 HG23 VAL 42 3HG2 VAL 42 -3.301 0.062 2.191 369 H GLU 43 H GLU 43 0.386 2.772 5.481 370 HA GLU 43 HA GLU 43 2.928 2.956 4.040 371 HB2 GLU 43 2HB GLU 43 2.372 2.716 7.039 372 HB3 GLU 43 3HB GLU 43 3.947 3.036 6.310 373 HG2 GLU 43 2HG GLU 43 3.017 5.175 5.377 374 HG3 GLU 43 3HG GLU 43 1.517 4.856 6.249 375 H LEU 44 H LEU 44 3.951 1.133 3.389 376 HA LEU 44 HA LEU 44 3.480 -1.429 4.818 377 HB2 LEU 44 2HB LEU 44 4.250 -1.151 1.890 378 HB3 LEU 44 3HB LEU 44 3.897 -2.634 2.759 379 HG LEU 44 HG LEU 44 1.506 -1.465 3.119 380 HD11 LEU 44 1HD1 LEU 44 2.067 0.658 2.087 381 HD12 LEU 44 2HD1 LEU 44 0.797 -0.153 1.171 382 HD13 LEU 44 3HD1 LEU 44 2.459 -0.151 0.570 383 HD21 LEU 44 1HD2 LEU 44 1.847 -3.616 2.000 384 HD22 LEU 44 2HD2 LEU 44 2.271 -2.782 0.504 385 HD23 LEU 44 3HD2 LEU 44 0.637 -2.641 1.163 386 H GLU 45 H GLU 45 5.359 -2.991 4.393 387 HA GLU 45 HA GLU 45 7.940 -1.587 4.681 388 HB2 GLU 45 2HB GLU 45 6.867 -1.966 6.893 389 HB3 GLU 45 3HB GLU 45 6.778 -3.691 6.551 390 HG2 GLU 45 2HG GLU 45 9.213 -3.866 6.582 391 HG3 GLU 45 3HG GLU 45 9.366 -2.115 6.770 392 H LEU 46 H LEU 46 8.879 -2.341 2.887 393 HA LEU 46 HA LEU 46 9.000 -5.243 2.312 394 HB2 LEU 46 2HB LEU 46 7.974 -3.812 0.553 395 HB3 LEU 46 3HB LEU 46 9.421 -2.832 0.486 396 HG LEU 46 HG LEU 46 9.508 -5.795 -0.233 397 HD11 LEU 46 1HD1 LEU 46 9.170 -5.222 -2.584 398 HD12 LEU 46 2HD1 LEU 46 8.902 -3.529 -2.156 399 HD13 LEU 46 3HD1 LEU 46 7.760 -4.765 -1.627 400 HD21 LEU 46 1HD2 LEU 46 11.438 -5.126 -1.637 401 HD22 LEU 46 2HD2 LEU 46 11.700 -4.732 0.059 402 HD23 LEU 46 3HD2 LEU 46 11.263 -3.457 -1.079 403 H ARG 47 H ARG 47 11.046 -6.185 2.336 404 HA ARG 47 HA ARG 47 13.205 -4.464 3.411 405 HB2 ARG 47 2HB ARG 47 12.604 -7.432 3.713 406 HB3 ARG 47 3HB ARG 47 14.168 -6.752 4.157 407 HG2 ARG 47 2HG ARG 47 13.183 -5.347 5.843 408 HG3 ARG 47 3HG ARG 47 11.550 -5.734 5.305 409 HD2 ARG 47 2HD ARG 47 11.731 -7.984 6.145 410 HD3 ARG 47 3HD ARG 47 13.459 -7.799 6.438 411 HE ARG 47 HE ARG 47 12.998 -6.834 8.441 412 HH11 ARG 47 1HH1 ARG 47 10.006 -6.672 6.574 413 HH12 ARG 47 2HH1 ARG 47 9.085 -6.056 7.908 414 HH21 ARG 47 1HH2 ARG 47 11.762 -5.984 10.146 415 HH22 ARG 47 2HH2 ARG 47 10.070 -5.670 9.913 416 H THR 48 H THR 48 14.182 -3.673 1.663 417 HA THR 48 HA THR 48 14.867 -5.251 -0.677 418 HB THR 48 HB THR 48 15.652 -2.380 0.028 419 HG1 THR 48 HG1 THR 48 13.778 -1.779 -0.846 420 HG21 THR 48 1HG2 THR 48 15.992 -2.110 -2.417 421 HG22 THR 48 2HG2 THR 48 15.619 -3.817 -2.662 422 HG23 THR 48 3HG2 THR 48 17.068 -3.351 -1.768 423 H ASN 49 H ASN 49 16.476 -6.688 -0.418 424 HA ASN 49 HA ASN 49 18.389 -7.765 0.143 425 HB2 ASN 49 2HB ASN 49 19.588 -4.999 0.677 426 HB3 ASN 49 3HB ASN 49 20.492 -6.496 0.504 427 HD21 ASN 49 1HD2 ASN 49 18.779 -3.991 -1.184 428 HD22 ASN 49 2HD2 ASN 49 19.246 -4.473 -2.775 429 H GLY 50 H GLY 50 16.316 -6.824 2.204 430 HA2 GLY 50 2HA GLY 50 16.091 -7.536 4.452 431 HA3 GLY 50 3HA GLY 50 17.826 -7.408 4.675 432 H LYS 51 H LYS 51 17.534 -4.623 3.218 433 HA LYS 51 HA LYS 51 17.387 -3.013 5.579 434 HB2 LYS 51 2HB LYS 51 17.397 -2.199 2.635 435 HB3 LYS 51 3HB LYS 51 17.528 -1.061 3.969 436 HG2 LYS 51 2HG LYS 51 19.548 -3.279 3.842 437 HG3 LYS 51 3HG LYS 51 19.670 -1.994 2.648 438 HD2 LYS 51 2HD LYS 51 21.136 -1.480 4.501 439 HD3 LYS 51 3HD LYS 51 19.815 -0.317 4.492 440 HE2 LYS 51 2HE LYS 51 20.352 -1.005 6.779 441 HE3 LYS 51 3HE LYS 51 18.736 -1.565 6.351 442 HZ1 LYS 51 1HZ LYS 51 19.648 -3.763 5.943 443 HZ2 LYS 51 2HZ LYS 51 20.010 -3.258 7.515 444 HZ3 LYS 51 3HZ LYS 51 21.201 -3.217 6.319 445 H LYS 52 H LYS 52 15.741 -1.744 6.362 446 HA LYS 52 HA LYS 52 13.040 -2.507 5.678 447 HB2 LYS 52 2HB LYS 52 13.649 -2.256 8.036 448 HB3 LYS 52 3HB LYS 52 14.206 -0.608 7.764 449 HG2 LYS 52 2HG LYS 52 11.811 0.007 7.182 450 HG3 LYS 52 3HG LYS 52 11.337 -1.607 7.722 451 HD2 LYS 52 2HD LYS 52 12.103 -1.132 9.990 452 HD3 LYS 52 3HD LYS 52 12.807 0.406 9.477 453 HE2 LYS 52 2HE LYS 52 10.520 1.211 8.899 454 HE3 LYS 52 3HE LYS 52 9.853 -0.295 9.529 455 HZ1 LYS 52 1HZ LYS 52 9.726 1.462 11.153 456 HZ2 LYS 52 2HZ LYS 52 11.394 1.715 11.070 457 HZ3 LYS 52 3HZ LYS 52 10.793 0.266 11.687 458 H GLU 53 H GLU 53 12.456 -1.654 3.736 459 HA GLU 53 HA GLU 53 12.510 1.275 3.308 460 HB2 GLU 53 2HB GLU 53 11.983 -0.994 1.327 461 HB3 GLU 53 3HB GLU 53 11.978 0.725 0.930 462 HG2 GLU 53 2HG GLU 53 14.349 -0.933 1.838 463 HG3 GLU 53 3HG GLU 53 14.073 -0.281 0.221 464 H ASN 54 H ASN 54 10.726 2.218 4.042 465 HA ASN 54 HA ASN 54 8.128 0.876 4.027 466 HB2 ASN 54 2HB ASN 54 9.040 3.529 5.209 467 HB3 ASN 54 3HB ASN 54 7.365 2.983 5.245 468 HD21 ASN 54 1HD2 ASN 54 7.859 0.209 5.769 469 HD22 ASN 54 2HD2 ASN 54 8.477 0.092 7.379 470 H TYR 55 H TYR 55 6.853 1.045 2.309 471 HA TYR 55 HA TYR 55 7.038 3.407 0.524 472 HB2 TYR 55 2HB TYR 55 5.876 0.645 -0.046 473 HB3 TYR 55 3HB TYR 55 5.938 1.983 -1.186 474 HD1 TYR 55 HD1 TYR 55 7.959 2.446 -2.451 475 HD2 TYR 55 HD2 TYR 55 8.028 -0.509 0.644 476 HE1 TYR 55 HE1 TYR 55 10.143 1.635 -3.261 477 HE2 TYR 55 HE2 TYR 55 10.205 -1.304 -0.163 478 HH TYR 55 HH TYR 55 11.534 -1.305 -2.197 479 H THR 56 H THR 56 5.464 4.838 0.823 480 HA THR 56 HA THR 56 2.880 4.146 1.978 481 HB THR 56 HB THR 56 3.951 6.831 0.996 482 HG1 THR 56 HG1 THR 56 4.117 5.455 3.447 483 HG21 THR 56 1HG2 THR 56 1.542 6.217 2.758 484 HG22 THR 56 2HG2 THR 56 1.464 6.771 1.083 485 HG23 THR 56 3HG2 THR 56 2.130 7.828 2.330 486 H VAL 57 H VAL 57 1.676 3.058 0.528 487 HA VAL 57 HA VAL 57 1.517 3.878 -2.283 488 HB VAL 57 HB VAL 57 0.278 1.478 -0.855 489 HG11 VAL 57 1HG1 VAL 57 -0.213 0.624 -3.146 490 HG12 VAL 57 2HG1 VAL 57 0.359 2.149 -3.825 491 HG13 VAL 57 3HG1 VAL 57 -1.075 2.125 -2.804 492 HG21 VAL 57 1HG2 VAL 57 2.746 1.344 -0.959 493 HG22 VAL 57 2HG2 VAL 57 2.696 1.612 -2.705 494 HG23 VAL 57 3HG2 VAL 57 2.004 0.138 -2.018 495 H GLU 58 H GLU 58 0.227 5.507 -2.586 496 HA GLU 58 HA GLU 58 -2.061 6.165 -0.907 497 HB2 GLU 58 2HB GLU 58 -0.908 7.617 -3.335 498 HB3 GLU 58 3HB GLU 58 -2.055 8.277 -2.167 499 HG2 GLU 58 2HG GLU 58 -0.344 8.169 -0.396 500 HG3 GLU 58 3HG GLU 58 0.797 7.434 -1.519 501 H VAL 59 H VAL 59 -3.803 4.941 -1.388 502 HA VAL 59 HA VAL 59 -4.626 4.480 -4.208 503 HB VAL 59 HB VAL 59 -5.495 2.854 -1.766 504 HG11 VAL 59 1HG1 VAL 59 -5.628 2.227 -4.732 505 HG12 VAL 59 2HG1 VAL 59 -6.988 2.698 -3.708 506 HG13 VAL 59 3HG1 VAL 59 -6.165 1.160 -3.430 507 HG21 VAL 59 1HG2 VAL 59 -3.055 2.606 -1.949 508 HG22 VAL 59 2HG2 VAL 59 -3.206 2.183 -3.659 509 HG23 VAL 59 3HG2 VAL 59 -3.860 1.104 -2.422 510 H GLU 60 H GLU 60 -6.600 5.394 -4.799 511 HA GLU 60 HA GLU 60 -8.222 6.712 -2.693 512 HB2 GLU 60 2HB GLU 60 -7.013 8.228 -4.281 513 HB3 GLU 60 3HB GLU 60 -7.929 7.524 -5.610 514 HG2 GLU 60 2HG GLU 60 -10.032 8.339 -4.582 515 HG3 GLU 60 3HG GLU 60 -9.110 9.055 -3.258 516 H ARG 61 H ARG 61 -10.494 6.698 -2.928 517 HA ARG 61 HA ARG 61 -11.582 4.211 -3.830 518 HB2 ARG 61 2HB ARG 61 -12.405 5.291 -1.771 519 HB3 ARG 61 3HB ARG 61 -12.954 6.691 -2.688 520 HG2 ARG 61 2HG ARG 61 -14.895 5.371 -2.231 521 HG3 ARG 61 3HG ARG 61 -14.529 5.139 -3.939 522 HD2 ARG 61 2HD ARG 61 -14.929 2.946 -3.319 523 HD3 ARG 61 3HD ARG 61 -13.195 3.011 -3.027 524 HE ARG 61 HE ARG 61 -13.594 3.077 -0.699 525 HH11 ARG 61 1HH1 ARG 61 -16.599 2.800 -2.535 526 HH12 ARG 61 2HH1 ARG 61 -17.514 2.276 -1.163 527 HH21 ARG 61 1HH2 ARG 61 -14.848 2.368 1.047 528 HH22 ARG 61 2HH2 ARG 61 -16.526 2.035 0.847 529 H GLN 62 H GLN 62 -12.423 3.795 -5.726 530 HA GLN 62 HA GLN 62 -13.673 5.894 -7.390 531 HB2 GLN 62 2HB GLN 62 -11.463 4.230 -8.103 532 HB3 GLN 62 3HB GLN 62 -12.828 3.516 -8.935 533 HG2 GLN 62 2HG GLN 62 -11.961 6.409 -9.160 534 HG3 GLN 62 3HG GLN 62 -11.566 5.145 -10.317 535 HE21 GLN 62 1HE2 GLN 62 -12.560 6.138 -12.044 536 HE22 GLN 62 2HE2 GLN 62 -14.274 6.344 -12.173 537 H GLY 63 H GLY 63 -15.712 5.562 -6.513 538 HA2 GLY 63 2HA GLY 63 -17.815 4.676 -6.384 539 HA3 GLY 63 3HA GLY 63 -17.311 3.386 -7.463 540 H ASN 64 H ASN 64 -16.986 1.379 -6.604 541 HA ASN 64 HA ASN 64 -16.736 1.041 -3.654 542 HB2 ASN 64 2HB ASN 64 -18.141 -0.787 -5.659 543 HB3 ASN 64 3HB ASN 64 -17.773 -1.263 -4.003 544 HD21 ASN 64 1HD2 ASN 64 -20.352 -1.027 -5.345 545 HD22 ASN 64 2HD2 ASN 64 -21.280 0.083 -4.402 546 H THR 65 H THR 65 -14.999 0.986 -6.411 547 HA THR 65 HA THR 65 -13.190 -1.188 -5.487 548 HB THR 65 HB THR 65 -12.224 -1.040 -7.869 549 HG1 THR 65 HG1 THR 65 -13.812 0.987 -8.093 550 HG21 THR 65 1HG2 THR 65 -15.080 -2.050 -7.562 551 HG22 THR 65 2HG2 THR 65 -13.614 -2.944 -7.158 552 HG23 THR 65 3HG2 THR 65 -13.954 -2.527 -8.838 553 H TRP 66 H TRP 66 -10.840 -0.605 -6.381 554 HA TRP 66 HA TRP 66 -10.169 2.066 -5.295 555 HB2 TRP 66 2HB TRP 66 -8.805 -0.638 -4.903 556 HB3 TRP 66 3HB TRP 66 -8.064 0.892 -4.436 557 HD1 TRP 66 HD1 TRP 66 -10.538 -1.659 -3.184 558 HE1 TRP 66 HE1 TRP 66 -11.582 -0.816 -0.990 559 HE3 TRP 66 HE3 TRP 66 -8.773 3.135 -3.175 560 HZ2 TRP 66 HZ2 TRP 66 -11.694 1.559 0.496 561 HZ3 TRP 66 HZ3 TRP 66 -9.402 4.637 -1.329 562 HH2 TRP 66 HH2 TRP 66 -10.840 3.854 0.479 563 H THR 67 H THR 67 -8.338 3.089 -6.100 564 HA THR 67 HA THR 67 -6.993 2.001 -8.476 565 HB THR 67 HB THR 67 -8.645 3.461 -9.474 566 HG1 THR 67 HG1 THR 67 -6.853 5.338 -9.886 567 HG21 THR 67 1HG2 THR 67 -9.296 4.857 -7.542 568 HG22 THR 67 2HG2 THR 67 -8.876 5.872 -8.924 569 HG23 THR 67 3HG2 THR 67 -7.731 5.677 -7.595 570 H VAL 68 H VAL 68 -4.895 1.932 -7.957 571 HA VAL 68 HA VAL 68 -3.712 3.413 -5.820 572 HB VAL 68 HB VAL 68 -2.329 1.871 -8.065 573 HG11 VAL 68 1HG1 VAL 68 -0.350 1.817 -6.565 574 HG12 VAL 68 2HG1 VAL 68 -1.189 2.858 -5.414 575 HG13 VAL 68 3HG1 VAL 68 -0.773 3.473 -7.015 576 HG21 VAL 68 1HG2 VAL 68 -2.133 0.038 -6.422 577 HG22 VAL 68 2HG2 VAL 68 -3.822 0.432 -6.741 578 HG23 VAL 68 3HG2 VAL 68 -3.054 0.980 -5.247 579 H LYS 69 H LYS 69 -3.525 5.540 -5.963 580 HA LYS 69 HA LYS 69 -3.254 7.067 -8.343 581 HB2 LYS 69 2HB LYS 69 -2.782 7.794 -5.415 582 HB3 LYS 69 3HB LYS 69 -2.758 8.964 -6.733 583 HG2 LYS 69 2HG LYS 69 -5.150 7.279 -5.918 584 HG3 LYS 69 3HG LYS 69 -4.900 8.980 -5.512 585 HD2 LYS 69 2HD LYS 69 -5.254 7.841 -8.320 586 HD3 LYS 69 3HD LYS 69 -6.456 8.755 -7.405 587 HE2 LYS 69 2HE LYS 69 -5.026 10.748 -7.460 588 HE3 LYS 69 3HE LYS 69 -3.757 9.845 -8.287 589 HZ1 LYS 69 1HZ LYS 69 -6.458 10.397 -9.364 590 HZ2 LYS 69 2HZ LYS 69 -5.235 9.546 -10.156 591 HZ3 LYS 69 3HZ LYS 69 -5.036 11.187 -9.812 592 H ARG 70 H ARG 70 -0.941 6.320 -5.702 593 HA ARG 70 HA ARG 70 1.315 6.546 -7.542 594 HB2 ARG 70 2HB ARG 70 0.925 8.896 -6.922 595 HB3 ARG 70 3HB ARG 70 0.919 8.480 -5.210 596 HG2 ARG 70 2HG ARG 70 3.304 7.814 -5.375 597 HG3 ARG 70 3HG ARG 70 3.306 8.264 -7.081 598 HD2 ARG 70 2HD ARG 70 2.955 10.599 -6.515 599 HD3 ARG 70 3HD ARG 70 2.726 10.191 -4.806 600 HE ARG 70 HE ARG 70 5.207 9.196 -5.490 601 HH11 ARG 70 1HH1 ARG 70 3.754 12.406 -5.408 602 HH12 ARG 70 2HH1 ARG 70 5.270 13.195 -5.098 603 HH21 ARG 70 1HH2 ARG 70 7.146 10.237 -5.105 604 HH22 ARG 70 2HH2 ARG 70 7.190 11.963 -4.927 605 H ILE 71 H ILE 71 3.005 5.276 -6.918 606 HA ILE 71 HA ILE 71 3.117 4.159 -4.198 607 HB ILE 71 HB ILE 71 5.115 3.681 -6.468 608 HG12 ILE 71 2HG1 ILE 71 2.900 2.881 -7.222 609 HG13 ILE 71 3HG1 ILE 71 3.962 1.517 -6.903 610 HG21 ILE 71 1HG2 ILE 71 5.756 1.675 -5.105 611 HG22 ILE 71 2HG2 ILE 71 4.624 2.179 -3.856 612 HG23 ILE 71 3HG2 ILE 71 6.018 3.189 -4.241 613 HD11 ILE 71 1HD1 ILE 71 1.793 2.521 -5.078 614 HD12 ILE 71 2HD1 ILE 71 2.831 1.117 -4.796 615 HD13 ILE 71 3HD1 ILE 71 1.701 1.126 -6.149 616 H THR 72 H THR 72 3.850 5.739 -2.825 617 HA THR 72 HA THR 72 6.211 7.351 -3.514 618 HB THR 72 HB THR 72 4.406 7.454 -1.043 619 HG1 THR 72 HG1 THR 72 3.156 8.350 -2.529 620 HG21 THR 72 1HG2 THR 72 5.494 9.639 -0.600 621 HG22 THR 72 2HG2 THR 72 6.561 9.393 -1.984 622 HG23 THR 72 3HG2 THR 72 6.683 8.331 -0.580 623 H ARG 73 H ARG 73 8.178 6.774 -2.773 624 HA ARG 73 HA ARG 73 8.506 4.652 -0.751 625 HB2 ARG 73 2HB ARG 73 9.754 4.430 -2.899 626 HB3 ARG 73 3HB ARG 73 10.526 5.988 -2.620 627 HG2 ARG 73 2HG ARG 73 11.662 5.058 -0.620 628 HG3 ARG 73 3HG ARG 73 10.883 3.499 -0.910 629 HD2 ARG 73 2HD ARG 73 12.039 3.319 -3.072 630 HD3 ARG 73 3HD ARG 73 12.793 4.895 -2.808 631 HE ARG 73 HE ARG 73 13.440 3.230 -0.632 632 HH11 ARG 73 1HH1 ARG 73 14.145 3.471 -4.071 633 HH12 ARG 73 2HH1 ARG 73 15.694 2.709 -3.935 634 HH21 ARG 73 1HH2 ARG 73 15.481 2.241 -0.461 635 HH22 ARG 73 2HH2 ARG 73 16.453 2.011 -1.887 636 H THR 74 H THR 74 9.626 5.061 1.169 637 HA THR 74 HA THR 74 9.789 7.641 2.294 638 HB THR 74 HB THR 74 9.675 5.621 3.712 639 HG1 THR 74 HG1 THR 74 10.599 6.888 5.088 640 HG21 THR 74 1HG2 THR 74 11.034 4.056 2.357 641 HG22 THR 74 2HG2 THR 74 11.595 4.099 4.032 642 HG23 THR 74 3HG2 THR 74 12.490 4.959 2.775 643 H VAL 75 H VAL 75 11.238 9.248 1.882 644 HA VAL 75 HA VAL 75 13.457 8.836 0.101 645 HB VAL 75 HB VAL 75 12.233 10.909 -0.111 646 HG11 VAL 75 1HG1 VAL 75 11.401 11.202 2.182 647 HG12 VAL 75 2HG1 VAL 75 12.157 12.686 1.593 648 HG13 VAL 75 3HG1 VAL 75 13.020 11.642 2.727 649 HG21 VAL 75 1HG2 VAL 75 14.626 11.012 -0.693 650 HG22 VAL 75 2HG2 VAL 75 15.020 11.512 0.953 651 HG23 VAL 75 3HG2 VAL 75 14.067 12.575 -0.083 652 H GLY 76 H GLY 76 15.008 7.586 0.951 653 HA2 GLY 76 2HA GLY 76 16.199 8.195 3.596 654 HA3 GLY 76 3HA GLY 76 16.414 6.717 2.660 655 H SER 77 H SER 77 18.468 6.554 1.958 656 HA SER 77 HA SER 77 20.149 8.796 1.360 657 HB2 SER 77 2HB SER 77 20.443 5.843 0.665 658 HB3 SER 77 3HB SER 77 21.711 7.061 0.467 659 HG SER 77 HG SER 77 20.986 7.381 2.904 660 H LEU 78 H LEU 78 19.317 10.093 -0.169 661 HA LEU 78 HA LEU 78 19.067 9.151 -2.932 662 HB2 LEU 78 2HB LEU 78 16.773 9.133 -1.676 663 HB3 LEU 78 3HB LEU 78 16.883 10.878 -1.683 664 HG LEU 78 HG LEU 78 16.834 9.171 -4.220 665 HD11 LEU 78 1HD1 LEU 78 14.482 9.806 -4.476 666 HD12 LEU 78 2HD1 LEU 78 14.516 10.629 -2.913 667 HD13 LEU 78 3HD1 LEU 78 14.739 8.879 -2.998 668 HD21 LEU 78 1HD2 LEU 78 17.847 11.388 -4.585 669 HD22 LEU 78 2HD2 LEU 78 16.425 12.170 -3.897 670 HD23 LEU 78 3HD2 LEU 78 16.291 11.263 -5.407 671 H GLU 79 H GLU 79 20.756 10.361 -3.669 672 HA GLU 79 HA GLU 79 21.342 13.056 -2.955 673 HB2 GLU 79 2HB GLU 79 22.080 11.478 -5.476 674 HB3 GLU 79 3HB GLU 79 22.672 13.098 -5.139 675 HG2 GLU 79 2HG GLU 79 24.398 11.488 -4.610 676 HG3 GLU 79 3HG GLU 79 23.830 12.255 -3.125 677 H HIS 80 H HIS 80 19.412 14.253 -3.052 678 HA HIS 80 HA HIS 80 17.651 14.243 -5.287 679 HB2 HIS 80 2HB HIS 80 16.854 15.068 -3.119 680 HB3 HIS 80 3HB HIS 80 18.019 16.392 -3.152 681 HD1 HIS 80 HD1 HIS 80 17.298 18.523 -4.333 682 HD2 HIS 80 HD2 HIS 80 14.775 15.326 -5.187 683 HE1 HIS 80 HE1 HIS 80 15.418 19.482 -5.693 684 HE2 HIS 80 HE2 HIS 80 13.963 17.523 -6.261 685 H HIS 81 H HIS 81 18.523 14.621 -7.199 686 HA HIS 81 HA HIS 81 20.481 16.574 -7.893 687 HB2 HIS 81 2HB HIS 81 19.779 14.428 -9.190 688 HB3 HIS 81 3HB HIS 81 18.397 15.344 -9.769 689 HD1 HIS 81 HD1 HIS 81 19.127 15.254 -12.205 690 HD2 HIS 81 HD2 HIS 81 22.020 16.886 -9.709 691 HE1 HIS 81 HE1 HIS 81 20.897 16.172 -13.723 692 HE2 HIS 81 HE2 HIS 81 22.537 17.291 -12.194 693 H HIS 82 H HIS 82 20.147 18.618 -8.870 694 HA HIS 82 HA HIS 82 18.293 20.313 -7.766 695 HB2 HIS 82 2HB HIS 82 20.410 21.045 -8.848 696 HB3 HIS 82 3HB HIS 82 19.724 20.699 -10.432 697 HD1 HIS 82 HD1 HIS 82 19.459 22.951 -11.461 698 HD2 HIS 82 HD2 HIS 82 18.099 22.893 -7.534 699 HE1 HIS 82 HE1 HIS 82 18.465 25.216 -11.055 700 HE2 HIS 82 HE2 HIS 82 17.560 25.122 -8.713 701 H HIS 83 H HIS 83 18.104 18.696 -10.925 702 HA HIS 83 HA HIS 83 15.274 18.422 -10.673 703 HB2 HIS 83 2HB HIS 83 14.617 19.530 -12.792 704 HB3 HIS 83 3HB HIS 83 15.288 20.696 -11.668 705 HD1 HIS 83 HD1 HIS 83 15.537 19.643 -15.117 706 HD2 HIS 83 HD2 HIS 83 18.139 21.316 -12.352 707 HE1 HIS 83 HE1 HIS 83 17.431 20.586 -16.456 708 HE2 HIS 83 HE2 HIS 83 19.058 21.446 -14.753 709 H HIS 84 H HIS 84 14.916 16.387 -11.364 710 HA HIS 84 HA HIS 84 16.630 15.056 -13.302 711 HB2 HIS 84 2HB HIS 84 15.632 13.781 -11.388 712 HB3 HIS 84 3HB HIS 84 14.022 14.084 -12.036 713 HD1 HIS 84 HD1 HIS 84 17.054 11.950 -12.521 714 HD2 HIS 84 HD2 HIS 84 13.378 12.531 -14.370 715 HE1 HIS 84 HE1 HIS 84 16.784 10.046 -14.125 716 HE2 HIS 84 HE2 HIS 84 14.508 10.343 -15.119 717 H HIS 85 H HIS 85 13.521 16.649 -13.164 718 HA HIS 85 HA HIS 85 12.554 15.823 -15.729 719 HB2 HIS 85 2HB HIS 85 11.635 17.928 -13.736 720 HB3 HIS 85 3HB HIS 85 10.864 17.754 -15.311 721 HD1 HIS 85 HD1 HIS 85 11.060 16.164 -11.947 722 HD2 HIS 85 HD2 HIS 85 9.427 15.325 -15.672 723 HE1 HIS 85 HE1 HIS 85 9.476 14.253 -11.587 724 HE2 HIS 85 HE2 HIS 85 8.420 13.854 -13.823 Start of MODEL 19 1 H1 MET 1 1H MET 1 -24.722 -3.773 6.057 2 H2 MET 1 2H MET 1 -24.841 -5.203 6.952 3 H3 MET 1 3H MET 1 -24.573 -5.269 5.282 4 HA MET 1 HA MET 1 -22.722 -4.148 7.296 5 HB2 MET 1 2HB MET 1 -22.978 -6.671 7.290 6 HB3 MET 1 3HB MET 1 -22.423 -6.682 5.623 7 HG2 MET 1 2HG MET 1 -20.247 -5.784 6.331 8 HG3 MET 1 3HG MET 1 -20.809 -5.711 8.002 9 HE1 MET 1 1HE MET 1 -22.559 -8.585 7.977 10 HE2 MET 1 2HE MET 1 -21.608 -8.001 9.347 11 HE3 MET 1 3HE MET 1 -21.342 -9.625 8.693 12 HA PRO 2 HA PRO 2 -21.765 -1.874 3.393 13 HB2 PRO 2 2HB PRO 2 -20.163 0.062 4.497 14 HB3 PRO 2 3HB PRO 2 -21.932 0.081 4.667 15 HG2 PRO 2 2HG PRO 2 -19.875 -0.950 6.612 16 HG3 PRO 2 3HG PRO 2 -21.249 0.145 6.911 17 HD2 PRO 2 2HD PRO 2 -21.425 -2.482 7.475 18 HD3 PRO 2 3HD PRO 2 -22.825 -1.589 6.839 19 H SER 3 H SER 3 -19.629 -3.627 5.420 20 HA SER 3 HA SER 3 -17.638 -4.643 5.203 21 HB2 SER 3 2HB SER 3 -17.760 -3.860 2.262 22 HB3 SER 3 3HB SER 3 -16.693 -5.079 2.966 23 HG SER 3 HG SER 3 -19.537 -5.152 2.991 24 H GLU 4 H GLU 4 -17.843 -1.978 6.039 25 HA GLU 4 HA GLU 4 -15.943 -0.189 4.913 26 HB2 GLU 4 2HB GLU 4 -17.933 0.506 6.236 27 HB3 GLU 4 3HB GLU 4 -17.212 -0.192 7.682 28 HG2 GLU 4 2HG GLU 4 -15.311 1.455 7.450 29 HG3 GLU 4 3HG GLU 4 -16.178 2.203 6.109 30 H GLU 5 H GLU 5 -15.662 -2.712 7.371 31 HA GLU 5 HA GLU 5 -12.996 -1.810 8.194 32 HB2 GLU 5 2HB GLU 5 -14.524 -4.317 9.018 33 HB3 GLU 5 3HB GLU 5 -13.026 -3.717 9.740 34 HG2 GLU 5 2HG GLU 5 -14.282 -1.603 10.355 35 HG3 GLU 5 3HG GLU 5 -15.763 -2.409 9.829 36 H GLU 6 H GLU 6 -14.480 -4.105 5.990 37 HA GLU 6 HA GLU 6 -12.076 -5.671 5.587 38 HB2 GLU 6 2HB GLU 6 -14.319 -6.717 5.345 39 HB3 GLU 6 3HB GLU 6 -14.629 -5.710 3.929 40 HG2 GLU 6 2HG GLU 6 -12.752 -6.754 2.740 41 HG3 GLU 6 3HG GLU 6 -12.342 -7.705 4.167 42 H GLU 7 H GLU 7 -13.491 -2.822 4.105 43 HA GLU 7 HA GLU 7 -12.206 -2.914 1.602 44 HB2 GLU 7 2HB GLU 7 -12.549 -0.480 1.485 45 HB3 GLU 7 3HB GLU 7 -13.999 -1.308 2.043 46 HG2 GLU 7 2HG GLU 7 -13.628 -0.612 4.296 47 HG3 GLU 7 3HG GLU 7 -12.018 -0.015 3.917 48 H LYS 8 H LYS 8 -11.020 -1.883 4.793 49 HA LYS 8 HA LYS 8 -8.535 -0.766 3.988 50 HB2 LYS 8 2HB LYS 8 -9.404 -2.007 6.638 51 HB3 LYS 8 3HB LYS 8 -7.770 -1.408 6.390 52 HG2 LYS 8 2HG LYS 8 -8.968 0.311 7.520 53 HG3 LYS 8 3HG LYS 8 -8.729 0.850 5.853 54 HD2 LYS 8 2HD LYS 8 -11.082 0.064 5.354 55 HD3 LYS 8 3HD LYS 8 -11.285 -0.260 7.077 56 HE2 LYS 8 2HE LYS 8 -10.884 2.134 7.559 57 HE3 LYS 8 3HE LYS 8 -10.683 2.440 5.834 58 HZ1 LYS 8 1HZ LYS 8 -13.160 1.424 7.117 59 HZ2 LYS 8 2HZ LYS 8 -12.960 1.769 5.472 60 HZ3 LYS 8 3HZ LYS 8 -12.895 3.021 6.604 61 H ARG 9 H ARG 9 -9.506 -4.043 4.926 62 HA ARG 9 HA ARG 9 -7.053 -5.390 4.794 63 HB2 ARG 9 2HB ARG 9 -9.855 -6.421 4.185 64 HB3 ARG 9 3HB ARG 9 -8.446 -7.449 4.446 65 HG2 ARG 9 2HG ARG 9 -8.271 -6.760 6.746 66 HG3 ARG 9 3HG ARG 9 -9.506 -5.515 6.532 67 HD2 ARG 9 2HD ARG 9 -10.333 -7.576 7.701 68 HD3 ARG 9 3HD ARG 9 -11.230 -7.185 6.232 69 HE ARG 9 HE ARG 9 -9.135 -8.992 5.635 70 HH11 ARG 9 1HH1 ARG 9 -12.296 -9.009 7.207 71 HH12 ARG 9 2HH1 ARG 9 -12.577 -10.681 6.855 72 HH21 ARG 9 1HH2 ARG 9 -9.546 -11.148 5.155 73 HH22 ARG 9 2HH2 ARG 9 -11.020 -11.895 5.692 74 H GLN 10 H GLN 10 -9.471 -4.731 2.326 75 HA GLN 10 HA GLN 10 -8.294 -6.079 0.146 76 HB2 GLN 10 2HB GLN 10 -10.282 -3.760 0.239 77 HB3 GLN 10 3HB GLN 10 -9.857 -4.629 -1.239 78 HG2 GLN 10 2HG GLN 10 -10.738 -6.714 -0.285 79 HG3 GLN 10 3HG GLN 10 -11.136 -5.879 1.217 80 HE21 GLN 10 1HE2 GLN 10 -12.943 -4.516 1.263 81 HE22 GLN 10 2HE2 GLN 10 -14.109 -4.466 -0.005 82 H VAL 11 H VAL 11 -8.116 -2.702 1.231 83 HA VAL 11 HA VAL 11 -6.646 -1.596 -0.904 84 HB VAL 11 HB VAL 11 -7.117 -0.691 1.974 85 HG11 VAL 11 1HG1 VAL 11 -5.683 0.904 -0.164 86 HG12 VAL 11 2HG1 VAL 11 -4.968 0.290 1.316 87 HG13 VAL 11 3HG1 VAL 11 -6.214 1.535 1.394 88 HG21 VAL 11 1HG2 VAL 11 -8.142 0.399 -0.669 89 HG22 VAL 11 2HG2 VAL 11 -8.602 0.958 0.940 90 HG23 VAL 11 3HG2 VAL 11 -9.040 -0.663 0.412 91 H LYS 12 H LYS 12 -5.588 -3.022 2.176 92 HA LYS 12 HA LYS 12 -2.825 -2.397 2.035 93 HB2 LYS 12 2HB LYS 12 -4.252 -4.702 3.434 94 HB3 LYS 12 3HB LYS 12 -2.556 -4.298 3.677 95 HG2 LYS 12 2HG LYS 12 -3.213 -2.099 4.602 96 HG3 LYS 12 3HG LYS 12 -4.914 -2.511 4.370 97 HD2 LYS 12 2HD LYS 12 -2.943 -3.953 6.199 98 HD3 LYS 12 3HD LYS 12 -4.241 -2.873 6.718 99 HE2 LYS 12 2HE LYS 12 -5.920 -4.451 5.903 100 HE3 LYS 12 3HE LYS 12 -4.667 -5.501 5.244 101 HZ1 LYS 12 1HZ LYS 12 -3.848 -5.836 7.517 102 HZ2 LYS 12 2HZ LYS 12 -5.445 -6.363 7.330 103 HZ3 LYS 12 3HZ LYS 12 -5.122 -4.901 8.115 104 H GLN 13 H GLN 13 -4.764 -5.092 0.811 105 HA GLN 13 HA GLN 13 -2.601 -6.718 -0.119 106 HB2 GLN 13 2HB GLN 13 -4.864 -7.632 0.411 107 HB3 GLN 13 3HB GLN 13 -5.547 -6.738 -0.943 108 HG2 GLN 13 2HG GLN 13 -4.121 -8.053 -2.498 109 HG3 GLN 13 3HG GLN 13 -3.489 -8.963 -1.126 110 HE21 GLN 13 1HE2 GLN 13 -6.881 -8.030 -1.524 111 HE22 GLN 13 2HE2 GLN 13 -7.475 -9.633 -1.750 112 H VAL 14 H VAL 14 -4.799 -4.388 -1.711 113 HA VAL 14 HA VAL 14 -3.881 -4.532 -4.364 114 HB VAL 14 HB VAL 14 -5.043 -2.129 -2.844 115 HG11 VAL 14 1HG1 VAL 14 -5.626 -1.166 -5.050 116 HG12 VAL 14 2HG1 VAL 14 -4.761 -2.480 -5.852 117 HG13 VAL 14 3HG1 VAL 14 -3.878 -1.327 -4.851 118 HG21 VAL 14 1HG2 VAL 14 -7.198 -2.729 -3.892 119 HG22 VAL 14 2HG2 VAL 14 -6.575 -4.071 -2.933 120 HG23 VAL 14 3HG2 VAL 14 -6.436 -4.115 -4.688 121 H ALA 15 H ALA 15 -2.779 -2.628 -1.611 122 HA ALA 15 HA ALA 15 -0.897 -0.955 -2.897 123 HB1 ALA 15 1HB ALA 15 -0.155 -0.417 -0.611 124 HB2 ALA 15 2HB ALA 15 -1.059 -1.800 0.020 125 HB3 ALA 15 3HB ALA 15 -1.916 -0.438 -0.708 126 H LYS 16 H LYS 16 -0.507 -3.996 -1.042 127 HA LYS 16 HA LYS 16 2.335 -4.058 -1.146 128 HB2 LYS 16 2HB LYS 16 2.227 -6.220 -0.120 129 HB3 LYS 16 3HB LYS 16 0.925 -5.266 0.572 130 HG2 LYS 16 2HG LYS 16 -0.689 -6.432 -0.895 131 HG3 LYS 16 3HG LYS 16 0.624 -7.409 -1.554 132 HD2 LYS 16 2HD LYS 16 -0.347 -7.386 1.337 133 HD3 LYS 16 3HD LYS 16 -0.604 -8.667 0.151 134 HE2 LYS 16 2HE LYS 16 1.801 -9.141 0.095 135 HE3 LYS 16 3HE LYS 16 2.118 -7.800 1.200 136 HZ1 LYS 16 1HZ LYS 16 0.601 -10.280 1.820 137 HZ2 LYS 16 2HZ LYS 16 0.736 -8.959 2.862 138 HZ3 LYS 16 3HZ LYS 16 2.117 -9.829 2.428 139 H GLU 17 H GLU 17 -0.163 -5.257 -3.308 140 HA GLU 17 HA GLU 17 1.331 -7.004 -4.932 141 HB2 GLU 17 2HB GLU 17 -1.105 -5.273 -5.470 142 HB3 GLU 17 3HB GLU 17 -0.398 -6.256 -6.754 143 HG2 GLU 17 2HG GLU 17 -0.845 -8.288 -5.563 144 HG3 GLU 17 3HG GLU 17 -1.301 -7.399 -4.105 145 H LYS 18 H LYS 18 0.896 -3.474 -5.124 146 HA LYS 18 HA LYS 18 2.344 -3.126 -7.576 147 HB2 LYS 18 2HB LYS 18 1.889 -0.960 -5.490 148 HB3 LYS 18 3HB LYS 18 2.077 -0.760 -7.233 149 HG2 LYS 18 2HG LYS 18 -0.285 -1.939 -5.749 150 HG3 LYS 18 3HG LYS 18 -0.242 -0.410 -6.628 151 HD2 LYS 18 2HD LYS 18 -0.110 -1.567 -8.761 152 HD3 LYS 18 3HD LYS 18 0.155 -3.120 -7.968 153 HE2 LYS 18 2HE LYS 18 -2.145 -2.927 -6.966 154 HE3 LYS 18 3HE LYS 18 -2.398 -1.482 -7.949 155 HZ1 LYS 18 1HZ LYS 18 -2.094 -2.808 -9.936 156 HZ2 LYS 18 2HZ LYS 18 -3.309 -3.491 -8.984 157 HZ3 LYS 18 3HZ LYS 18 -1.770 -4.186 -9.009 158 H LEU 19 H LEU 19 3.176 -3.246 -4.199 159 HA LEU 19 HA LEU 19 5.908 -2.396 -4.458 160 HB2 LEU 19 2HB LEU 19 4.528 -3.987 -2.267 161 HB3 LEU 19 3HB LEU 19 6.128 -3.273 -2.144 162 HG LEU 19 HG LEU 19 3.445 -1.867 -2.231 163 HD11 LEU 19 1HD1 LEU 19 4.215 -0.807 -0.174 164 HD12 LEU 19 2HD1 LEU 19 5.742 -1.689 -0.272 165 HD13 LEU 19 3HD1 LEU 19 4.227 -2.566 -0.039 166 HD21 LEU 19 1HD2 LEU 19 4.800 -0.644 -3.815 167 HD22 LEU 19 2HD2 LEU 19 6.143 -0.556 -2.671 168 HD23 LEU 19 3HD2 LEU 19 4.633 0.300 -2.335 169 H LEU 20 H LEU 20 4.227 -5.486 -4.687 170 HA LEU 20 HA LEU 20 6.567 -7.141 -4.818 171 HB2 LEU 20 2HB LEU 20 3.682 -7.649 -5.639 172 HB3 LEU 20 3HB LEU 20 4.935 -8.881 -5.720 173 HG LEU 20 HG LEU 20 3.982 -7.511 -3.172 174 HD11 LEU 20 1HD1 LEU 20 3.427 -10.331 -4.132 175 HD12 LEU 20 2HD1 LEU 20 2.269 -8.997 -4.079 176 HD13 LEU 20 3HD1 LEU 20 2.942 -9.635 -2.581 177 HD21 LEU 20 1HD2 LEU 20 5.344 -9.143 -1.973 178 HD22 LEU 20 2HD2 LEU 20 6.340 -8.144 -3.025 179 HD23 LEU 20 3HD2 LEU 20 5.945 -9.800 -3.497 180 H GLU 21 H GLU 21 4.848 -5.184 -7.139 181 HA GLU 21 HA GLU 21 5.847 -6.342 -9.545 182 HB2 GLU 21 2HB GLU 21 5.135 -3.413 -9.050 183 HB3 GLU 21 3HB GLU 21 5.268 -4.198 -10.623 184 HG2 GLU 21 2HG GLU 21 3.180 -4.752 -8.493 185 HG3 GLU 21 3HG GLU 21 2.932 -3.873 -9.995 186 H GLN 22 H GLN 22 7.092 -4.012 -7.260 187 HA GLN 22 HA GLN 22 9.456 -3.264 -8.755 188 HB2 GLN 22 2HB GLN 22 8.613 -2.739 -5.872 189 HB3 GLN 22 3HB GLN 22 9.984 -1.974 -6.677 190 HG2 GLN 22 2HG GLN 22 8.524 -0.785 -8.187 191 HG3 GLN 22 3HG GLN 22 7.117 -1.694 -7.630 192 HE21 GLN 22 1HE2 GLN 22 6.192 -1.175 -5.668 193 HE22 GLN 22 2HE2 GLN 22 6.582 0.250 -4.782 194 H SER 23 H SER 23 8.653 -5.373 -6.019 195 HA SER 23 HA SER 23 11.163 -6.818 -6.179 196 HB2 SER 23 2HB SER 23 11.665 -4.791 -4.728 197 HB3 SER 23 3HB SER 23 10.443 -5.354 -3.596 198 HG SER 23 HG SER 23 11.965 -6.507 -2.759 199 HA PRO 24 HA PRO 24 7.586 -9.528 -4.892 200 HB2 PRO 24 2HB PRO 24 8.207 -11.658 -6.495 201 HB3 PRO 24 3HB PRO 24 7.349 -10.226 -7.112 202 HG2 PRO 24 2HG PRO 24 10.272 -10.905 -7.330 203 HG3 PRO 24 3HG PRO 24 9.165 -10.292 -8.581 204 HD2 PRO 24 2HD PRO 24 10.883 -8.655 -7.234 205 HD3 PRO 24 3HD PRO 24 9.304 -8.098 -7.828 206 H ASN 25 H ASN 25 11.032 -10.050 -5.025 207 HA ASN 25 HA ASN 25 11.162 -12.580 -3.720 208 HB2 ASN 25 2HB ASN 25 12.926 -11.726 -5.233 209 HB3 ASN 25 3HB ASN 25 13.303 -10.443 -4.091 210 HD21 ASN 25 1HD2 ASN 25 13.438 -13.900 -4.672 211 HD22 ASN 25 2HD2 ASN 25 14.664 -14.242 -3.498 212 H SER 26 H SER 26 10.966 -9.311 -2.592 213 HA SER 26 HA SER 26 11.737 -9.863 0.157 214 HB2 SER 26 2HB SER 26 11.039 -7.443 0.478 215 HB3 SER 26 3HB SER 26 12.292 -7.682 -0.741 216 HG SER 26 HG SER 26 9.600 -7.676 -1.559 217 H LYS 27 H LYS 27 10.362 -10.225 1.856 218 HA LYS 27 HA LYS 27 7.542 -10.723 1.369 219 HB2 LYS 27 2HB LYS 27 8.905 -12.215 2.870 220 HB3 LYS 27 3HB LYS 27 9.117 -10.879 3.982 221 HG2 LYS 27 2HG LYS 27 7.361 -11.867 5.069 222 HG3 LYS 27 3HG LYS 27 6.397 -10.935 3.928 223 HD2 LYS 27 2HD LYS 27 7.165 -13.874 3.704 224 HD3 LYS 27 3HD LYS 27 5.566 -13.233 4.076 225 HE2 LYS 27 2HE LYS 27 5.555 -12.185 1.774 226 HE3 LYS 27 3HE LYS 27 7.056 -13.048 1.439 227 HZ1 LYS 27 1HZ LYS 27 5.926 -15.130 1.738 228 HZ2 LYS 27 2HZ LYS 27 5.059 -14.209 0.622 229 HZ3 LYS 27 3HZ LYS 27 4.499 -14.358 2.207 230 H VAL 28 H VAL 28 6.146 -9.089 1.372 231 HA VAL 28 HA VAL 28 6.827 -6.502 2.603 232 HB VAL 28 HB VAL 28 4.612 -7.140 0.584 233 HG11 VAL 28 1HG1 VAL 28 4.562 -4.701 0.176 234 HG12 VAL 28 2HG1 VAL 28 5.789 -4.461 1.422 235 HG13 VAL 28 3HG1 VAL 28 4.195 -5.077 1.863 236 HG21 VAL 28 1HG2 VAL 28 6.800 -7.645 -0.413 237 HG22 VAL 28 2HG2 VAL 28 7.399 -6.048 0.036 238 HG23 VAL 28 3HG2 VAL 28 6.107 -6.199 -1.159 239 H GLN 29 H GLN 29 5.934 -6.061 4.502 240 HA GLN 29 HA GLN 29 3.279 -7.133 5.283 241 HB2 GLN 29 2HB GLN 29 5.514 -5.960 7.008 242 HB3 GLN 29 3HB GLN 29 3.957 -6.528 7.618 243 HG2 GLN 29 2HG GLN 29 6.116 -8.209 6.307 244 HG3 GLN 29 3HG GLN 29 5.678 -8.201 8.016 245 HE21 GLN 29 1HE2 GLN 29 5.686 -10.389 6.009 246 HE22 GLN 29 2HE2 GLN 29 4.093 -11.057 6.028 247 H VAL 30 H VAL 30 2.071 -5.518 6.723 248 HA VAL 30 HA VAL 30 2.101 -2.824 5.505 249 HB VAL 30 HB VAL 30 -0.071 -4.192 7.169 250 HG11 VAL 30 1HG1 VAL 30 -0.153 -1.573 5.626 251 HG12 VAL 30 2HG1 VAL 30 -0.179 -1.754 7.381 252 HG13 VAL 30 3HG1 VAL 30 -1.533 -2.339 6.415 253 HG21 VAL 30 1HG2 VAL 30 0.261 -5.309 4.983 254 HG22 VAL 30 2HG2 VAL 30 0.029 -3.766 4.155 255 HG23 VAL 30 3HG2 VAL 30 -1.301 -4.490 5.062 256 H ARG 31 H ARG 31 2.865 -1.176 6.713 257 HA ARG 31 HA ARG 31 3.747 -1.696 9.468 258 HB2 ARG 31 2HB ARG 31 5.343 -0.803 7.729 259 HB3 ARG 31 3HB ARG 31 4.378 0.663 7.629 260 HG2 ARG 31 2HG ARG 31 6.290 1.117 9.013 261 HG3 ARG 31 3HG ARG 31 4.863 1.093 10.053 262 HD2 ARG 31 2HD ARG 31 5.437 -1.265 10.708 263 HD3 ARG 31 3HD ARG 31 6.913 -1.137 9.740 264 HE ARG 31 HE ARG 31 6.662 0.943 11.713 265 HH11 ARG 31 1HH1 ARG 31 7.773 -2.387 11.239 266 HH12 ARG 31 2HH1 ARG 31 8.853 -2.326 12.594 267 HH21 ARG 31 1HH2 ARG 31 8.091 0.983 13.457 268 HH22 ARG 31 2HH2 ARG 31 9.031 -0.418 13.843 269 H ARG 32 H ARG 32 1.859 0.689 7.631 270 HA ARG 32 HA ARG 32 0.333 1.551 9.957 271 HB2 ARG 32 2HB ARG 32 2.658 2.960 9.311 272 HB3 ARG 32 3HB ARG 32 1.468 3.841 8.373 273 HG2 ARG 32 2HG ARG 32 1.355 3.383 11.375 274 HG3 ARG 32 3HG ARG 32 1.934 4.849 10.586 275 HD2 ARG 32 2HD ARG 32 -0.332 5.222 9.642 276 HD3 ARG 32 3HD ARG 32 -0.899 3.750 10.443 277 HE ARG 32 HE ARG 32 0.283 5.887 12.082 278 HH11 ARG 32 1HH1 ARG 32 -2.648 4.133 11.143 279 HH12 ARG 32 2HH1 ARG 32 -3.568 4.749 12.482 280 HH21 ARG 32 1HH2 ARG 32 -0.954 6.698 13.789 281 HH22 ARG 32 2HH2 ARG 32 -2.609 6.203 13.981 282 H VAL 33 H VAL 33 -1.719 2.305 9.305 283 HA VAL 33 HA VAL 33 -2.261 2.691 6.404 284 HB VAL 33 HB VAL 33 -4.129 1.413 8.477 285 HG11 VAL 33 1HG1 VAL 33 -4.703 2.021 5.549 286 HG12 VAL 33 2HG1 VAL 33 -5.436 2.825 6.939 287 HG13 VAL 33 3HG1 VAL 33 -5.761 1.118 6.638 288 HG21 VAL 33 1HG2 VAL 33 -3.998 -0.611 7.065 289 HG22 VAL 33 2HG2 VAL 33 -2.404 -0.141 7.658 290 HG23 VAL 33 3HG2 VAL 33 -2.861 0.207 5.989 291 H GLN 34 H GLN 34 -3.130 4.642 5.925 292 HA GLN 34 HA GLN 34 -4.285 6.344 8.069 293 HB2 GLN 34 2HB GLN 34 -2.510 7.105 5.701 294 HB3 GLN 34 3HB GLN 34 -3.434 8.297 6.612 295 HG2 GLN 34 2HG GLN 34 -1.310 6.474 7.805 296 HG3 GLN 34 3HG GLN 34 -1.052 8.152 7.315 297 HE21 GLN 34 1HE2 GLN 34 -2.661 6.065 9.630 298 HE22 GLN 34 2HE2 GLN 34 -3.004 7.293 10.793 299 H LYS 35 H LYS 35 -6.417 6.343 7.765 300 HA LYS 35 HA LYS 35 -7.591 6.123 5.071 301 HB2 LYS 35 2HB LYS 35 -8.212 4.675 7.219 302 HB3 LYS 35 3HB LYS 35 -9.204 6.059 7.645 303 HG2 LYS 35 2HG LYS 35 -9.417 4.426 5.105 304 HG3 LYS 35 3HG LYS 35 -10.450 4.258 6.513 305 HD2 LYS 35 2HD LYS 35 -11.368 6.533 6.099 306 HD3 LYS 35 3HD LYS 35 -10.318 6.693 4.683 307 HE2 LYS 35 2HE LYS 35 -11.438 4.777 3.613 308 HE3 LYS 35 3HE LYS 35 -12.458 4.551 5.035 309 HZ1 LYS 35 1HZ LYS 35 -13.454 6.707 4.613 310 HZ2 LYS 35 2HZ LYS 35 -13.613 5.705 3.257 311 HZ3 LYS 35 3HZ LYS 35 -12.457 6.940 3.273 312 H GLN 36 H GLN 36 -7.984 8.053 4.125 313 HA GLN 36 HA GLN 36 -8.910 10.369 5.742 314 HB2 GLN 36 2HB GLN 36 -7.020 10.437 3.338 315 HB3 GLN 36 3HB GLN 36 -7.591 11.840 4.238 316 HG2 GLN 36 2HG GLN 36 -6.307 11.198 6.182 317 HG3 GLN 36 3HG GLN 36 -5.901 9.640 5.457 318 HE21 GLN 36 1HE2 GLN 36 -5.280 13.095 5.353 319 HE22 GLN 36 2HE2 GLN 36 -3.821 12.992 4.434 320 H GLY 37 H GLY 37 -11.075 9.737 5.179 321 HA2 GLY 37 2HA GLY 37 -13.042 10.114 4.092 322 HA3 GLY 37 3HA GLY 37 -12.182 11.290 3.129 323 H ASN 38 H ASN 38 -11.079 10.510 1.204 324 HA ASN 38 HA ASN 38 -12.600 8.386 -0.178 325 HB2 ASN 38 2HB ASN 38 -11.064 10.783 -1.288 326 HB3 ASN 38 3HB ASN 38 -11.859 9.563 -2.282 327 HD21 ASN 38 1HD2 ASN 38 -13.291 11.022 -3.232 328 HD22 ASN 38 2HD2 ASN 38 -14.587 11.775 -2.373 329 H THR 39 H THR 39 -9.291 9.646 0.309 330 HA THR 39 HA THR 39 -8.121 7.293 -1.040 331 HB THR 39 HB THR 39 -6.648 9.798 -0.124 332 HG1 THR 39 HG1 THR 39 -7.434 9.379 -2.799 333 HG21 THR 39 1HG2 THR 39 -5.933 7.690 -2.208 334 HG22 THR 39 2HG2 THR 39 -5.180 7.865 -0.618 335 HG23 THR 39 3HG2 THR 39 -4.986 9.127 -1.840 336 H ILE 40 H ILE 40 -7.040 5.765 0.079 337 HA ILE 40 HA ILE 40 -6.377 6.185 2.937 338 HB ILE 40 HB ILE 40 -6.700 3.511 1.488 339 HG12 ILE 40 2HG1 ILE 40 -8.683 4.965 3.302 340 HG13 ILE 40 3HG1 ILE 40 -8.880 4.644 1.583 341 HG21 ILE 40 1HG2 ILE 40 -6.446 4.125 4.458 342 HG22 ILE 40 2HG2 ILE 40 -5.191 3.422 3.438 343 HG23 ILE 40 3HG2 ILE 40 -6.676 2.525 3.749 344 HD11 ILE 40 1HD1 ILE 40 -8.777 2.542 3.753 345 HD12 ILE 40 2HD1 ILE 40 -9.013 2.258 2.027 346 HD13 ILE 40 3HD1 ILE 40 -10.222 3.148 2.944 347 H ARG 41 H ARG 41 -4.267 6.802 3.065 348 HA ARG 41 HA ARG 41 -2.207 5.809 1.246 349 HB2 ARG 41 2HB ARG 41 -1.874 7.627 3.681 350 HB3 ARG 41 3HB ARG 41 -0.691 7.347 2.401 351 HG2 ARG 41 2HG ARG 41 -2.367 8.407 0.797 352 HG3 ARG 41 3HG ARG 41 -3.308 8.867 2.222 353 HD2 ARG 41 2HD ARG 41 -0.458 9.716 1.569 354 HD3 ARG 41 3HD ARG 41 -1.899 10.734 1.509 355 HE ARG 41 HE ARG 41 -2.009 10.124 4.034 356 HH11 ARG 41 1HH1 ARG 41 0.990 10.781 2.255 357 HH12 ARG 41 2HH1 ARG 41 1.808 11.373 3.666 358 HH21 ARG 41 1HH2 ARG 41 -0.903 10.950 5.824 359 HH22 ARG 41 2HH2 ARG 41 0.744 11.467 5.673 360 H VAL 42 H VAL 42 -1.942 3.648 1.714 361 HA VAL 42 HA VAL 42 -1.396 2.743 4.450 362 HB VAL 42 HB VAL 42 -1.472 1.119 1.855 363 HG11 VAL 42 1HG1 VAL 42 -1.421 0.156 4.744 364 HG12 VAL 42 2HG1 VAL 42 -0.093 0.028 3.592 365 HG13 VAL 42 3HG1 VAL 42 -1.584 -0.873 3.317 366 HG21 VAL 42 1HG2 VAL 42 -3.580 1.469 4.016 367 HG22 VAL 42 2HG2 VAL 42 -3.676 0.321 2.675 368 HG23 VAL 42 3HG2 VAL 42 -3.666 2.056 2.348 369 H GLU 43 H GLU 43 0.585 2.963 5.184 370 HA GLU 43 HA GLU 43 2.979 2.979 3.493 371 HB2 GLU 43 2HB GLU 43 2.549 3.414 6.483 372 HB3 GLU 43 3HB GLU 43 4.101 3.585 5.666 373 HG2 GLU 43 2HG GLU 43 3.124 5.405 4.263 374 HG3 GLU 43 3HG GLU 43 1.593 5.220 5.119 375 H LEU 44 H LEU 44 3.892 1.021 3.054 376 HA LEU 44 HA LEU 44 3.508 -1.223 4.964 377 HB2 LEU 44 2HB LEU 44 4.131 -1.423 1.995 378 HB3 LEU 44 3HB LEU 44 3.762 -2.742 3.088 379 HG LEU 44 HG LEU 44 1.452 -1.369 3.375 380 HD11 LEU 44 1HD1 LEU 44 2.282 -0.626 0.564 381 HD12 LEU 44 2HD1 LEU 44 2.102 0.484 1.925 382 HD13 LEU 44 3HD1 LEU 44 0.693 -0.366 1.294 383 HD21 LEU 44 1HD2 LEU 44 1.583 -3.700 2.679 384 HD22 LEU 44 2HD2 LEU 44 1.996 -3.212 1.034 385 HD23 LEU 44 3HD2 LEU 44 0.407 -2.821 1.702 386 H GLU 45 H GLU 45 5.300 -2.764 5.144 387 HA GLU 45 HA GLU 45 7.944 -1.467 4.890 388 HB2 GLU 45 2HB GLU 45 7.178 -2.096 7.189 389 HB3 GLU 45 3HB GLU 45 7.088 -3.778 6.682 390 HG2 GLU 45 2HG GLU 45 9.525 -3.756 6.215 391 HG3 GLU 45 3HG GLU 45 9.611 -2.085 6.771 392 H LEU 46 H LEU 46 8.789 -2.069 3.013 393 HA LEU 46 HA LEU 46 8.874 -4.916 2.179 394 HB2 LEU 46 2HB LEU 46 7.804 -3.318 0.579 395 HB3 LEU 46 3HB LEU 46 9.265 -2.360 0.549 396 HG LEU 46 HG LEU 46 9.202 -5.242 -0.458 397 HD11 LEU 46 1HD1 LEU 46 7.554 -3.987 -1.742 398 HD12 LEU 46 2HD1 LEU 46 8.953 -4.370 -2.740 399 HD13 LEU 46 3HD1 LEU 46 8.744 -2.733 -2.101 400 HD21 LEU 46 1HD2 LEU 46 11.164 -4.590 -1.788 401 HD22 LEU 46 2HD2 LEU 46 11.460 -4.384 -0.066 402 HD23 LEU 46 3HD2 LEU 46 11.124 -2.974 -1.074 403 H ARG 47 H ARG 47 10.840 -5.865 2.431 404 HA ARG 47 HA ARG 47 13.181 -4.155 3.060 405 HB2 ARG 47 2HB ARG 47 12.564 -7.074 3.704 406 HB3 ARG 47 3HB ARG 47 14.098 -6.289 4.083 407 HG2 ARG 47 2HG ARG 47 13.129 -4.897 5.735 408 HG3 ARG 47 3HG ARG 47 11.494 -5.129 5.115 409 HD2 ARG 47 2HD ARG 47 13.145 -7.297 6.468 410 HD3 ARG 47 3HD ARG 47 11.929 -6.307 7.283 411 HE ARG 47 HE ARG 47 10.367 -7.244 5.472 412 HH11 ARG 47 1HH1 ARG 47 12.994 -9.151 6.878 413 HH12 ARG 47 2HH1 ARG 47 12.186 -10.659 6.593 414 HH21 ARG 47 1HH2 ARG 47 9.353 -9.212 5.135 415 HH22 ARG 47 2HH2 ARG 47 10.133 -10.692 5.605 416 H THR 48 H THR 48 13.971 -3.653 1.083 417 HA THR 48 HA THR 48 14.090 -5.393 -1.178 418 HB THR 48 HB THR 48 15.533 -2.739 -0.705 419 HG1 THR 48 HG1 THR 48 13.729 -1.788 -1.350 420 HG21 THR 48 1HG2 THR 48 15.608 -2.567 -3.182 421 HG22 THR 48 2HG2 THR 48 14.910 -4.184 -3.317 422 HG23 THR 48 3HG2 THR 48 16.517 -3.967 -2.617 423 H ASN 49 H ASN 49 15.319 -7.186 -0.945 424 HA ASN 49 HA ASN 49 17.071 -8.599 -0.771 425 HB2 ASN 49 2HB ASN 49 18.667 -6.071 -1.377 426 HB3 ASN 49 3HB ASN 49 19.351 -7.694 -1.392 427 HD21 ASN 49 1HD2 ASN 49 18.716 -9.152 -3.035 428 HD22 ASN 49 2HD2 ASN 49 17.973 -8.604 -4.496 429 H GLY 50 H GLY 50 16.065 -7.236 1.653 430 HA2 GLY 50 2HA GLY 50 16.562 -7.849 3.887 431 HA3 GLY 50 3HA GLY 50 18.270 -7.923 3.491 432 H LYS 51 H LYS 51 17.086 -5.090 2.134 433 HA LYS 51 HA LYS 51 17.814 -3.447 4.493 434 HB2 LYS 51 2HB LYS 51 17.564 -2.653 1.549 435 HB3 LYS 51 3HB LYS 51 18.063 -1.577 2.851 436 HG2 LYS 51 2HG LYS 51 19.571 -4.017 1.850 437 HG3 LYS 51 3HG LYS 51 19.985 -2.330 1.530 438 HD2 LYS 51 2HD LYS 51 20.011 -3.697 4.259 439 HD3 LYS 51 3HD LYS 51 21.429 -3.307 3.284 440 HE2 LYS 51 2HE LYS 51 21.032 -0.926 3.553 441 HE3 LYS 51 3HE LYS 51 19.493 -1.224 4.362 442 HZ1 LYS 51 1HZ LYS 51 20.751 -2.357 6.143 443 HZ2 LYS 51 2HZ LYS 51 21.150 -0.720 5.995 444 HZ3 LYS 51 3HZ LYS 51 22.193 -1.904 5.393 445 H LYS 52 H LYS 52 16.197 -2.373 5.580 446 HA LYS 52 HA LYS 52 13.449 -2.748 4.756 447 HB2 LYS 52 2HB LYS 52 13.879 -3.027 7.118 448 HB3 LYS 52 3HB LYS 52 14.710 -1.478 7.221 449 HG2 LYS 52 2HG LYS 52 12.606 -0.279 6.858 450 HG3 LYS 52 3HG LYS 52 11.737 -1.802 6.656 451 HD2 LYS 52 2HD LYS 52 12.038 -2.364 8.991 452 HD3 LYS 52 3HD LYS 52 13.184 -1.037 9.226 453 HE2 LYS 52 2HE LYS 52 11.440 0.609 8.954 454 HE3 LYS 52 3HE LYS 52 10.277 -0.618 8.447 455 HZ1 LYS 52 1HZ LYS 52 11.528 -0.538 11.136 456 HZ2 LYS 52 2HZ LYS 52 10.255 -1.532 10.628 457 HZ3 LYS 52 3HZ LYS 52 10.020 0.139 10.772 458 H GLU 53 H GLU 53 12.441 -1.427 3.452 459 HA GLU 53 HA GLU 53 12.722 1.506 3.642 460 HB2 GLU 53 2HB GLU 53 12.479 -0.097 1.044 461 HB3 GLU 53 3HB GLU 53 12.465 1.664 1.168 462 HG2 GLU 53 2HG GLU 53 14.779 1.603 2.058 463 HG3 GLU 53 3HG GLU 53 14.789 -0.151 1.902 464 H ASN 54 H ASN 54 10.759 2.326 4.163 465 HA ASN 54 HA ASN 54 8.311 0.777 3.774 466 HB2 ASN 54 2HB ASN 54 8.819 3.428 5.202 467 HB3 ASN 54 3HB ASN 54 7.233 2.666 5.086 468 HD21 ASN 54 1HD2 ASN 54 6.895 0.663 6.172 469 HD22 ASN 54 2HD2 ASN 54 7.892 0.190 7.500 470 H TYR 55 H TYR 55 6.664 1.329 2.393 471 HA TYR 55 HA TYR 55 7.104 3.580 0.505 472 HB2 TYR 55 2HB TYR 55 5.837 0.860 -0.048 473 HB3 TYR 55 3HB TYR 55 5.876 2.195 -1.189 474 HD1 TYR 55 HD1 TYR 55 7.572 2.190 -2.813 475 HD2 TYR 55 HD2 TYR 55 8.261 0.058 0.824 476 HE1 TYR 55 HE1 TYR 55 9.666 1.271 -3.737 477 HE2 TYR 55 HE2 TYR 55 10.344 -0.847 -0.095 478 HH TYR 55 HH TYR 55 11.408 -1.279 -2.160 479 H THR 56 H THR 56 5.581 5.093 0.685 480 HA THR 56 HA THR 56 3.000 4.586 1.960 481 HB THR 56 HB THR 56 4.067 7.210 0.811 482 HG1 THR 56 HG1 THR 56 4.313 6.067 3.401 483 HG21 THR 56 1HG2 THR 56 1.614 7.241 1.149 484 HG22 THR 56 2HG2 THR 56 2.412 8.276 2.330 485 HG23 THR 56 3HG2 THR 56 1.834 6.685 2.820 486 H VAL 57 H VAL 57 1.655 3.555 0.640 487 HA VAL 57 HA VAL 57 1.395 4.232 -2.222 488 HB VAL 57 HB VAL 57 0.272 1.828 -0.697 489 HG11 VAL 57 1HG1 VAL 57 -0.173 0.880 -2.957 490 HG12 VAL 57 2HG1 VAL 57 0.339 2.404 -3.685 491 HG13 VAL 57 3HG1 VAL 57 -1.091 2.356 -2.653 492 HG21 VAL 57 1HG2 VAL 57 2.028 0.485 -1.806 493 HG22 VAL 57 2HG2 VAL 57 2.726 1.721 -0.758 494 HG23 VAL 57 3HG2 VAL 57 2.715 1.955 -2.508 495 H GLU 58 H GLU 58 -0.182 5.678 -2.638 496 HA GLU 58 HA GLU 58 -2.443 6.075 -0.813 497 HB2 GLU 58 2HB GLU 58 -1.795 7.577 -3.391 498 HB3 GLU 58 3HB GLU 58 -2.904 8.082 -2.118 499 HG2 GLU 58 2HG GLU 58 -0.915 8.239 -0.565 500 HG3 GLU 58 3HG GLU 58 0.124 7.914 -1.952 501 H VAL 59 H VAL 59 -3.910 4.437 -1.107 502 HA VAL 59 HA VAL 59 -4.871 3.772 -3.830 503 HB VAL 59 HB VAL 59 -5.477 2.270 -1.248 504 HG11 VAL 59 1HG1 VAL 59 -6.109 0.400 -2.743 505 HG12 VAL 59 2HG1 VAL 59 -5.794 1.424 -4.147 506 HG13 VAL 59 3HG1 VAL 59 -7.092 1.839 -3.026 507 HG21 VAL 59 1HG2 VAL 59 -3.275 1.613 -3.246 508 HG22 VAL 59 2HG2 VAL 59 -3.761 0.604 -1.876 509 HG23 VAL 59 3HG2 VAL 59 -3.045 2.192 -1.591 510 H GLU 60 H GLU 60 -6.588 4.929 -4.407 511 HA GLU 60 HA GLU 60 -8.354 6.221 -2.443 512 HB2 GLU 60 2HB GLU 60 -7.090 7.658 -3.978 513 HB3 GLU 60 3HB GLU 60 -7.739 6.797 -5.366 514 HG2 GLU 60 2HG GLU 60 -9.989 7.661 -4.869 515 HG3 GLU 60 3HG GLU 60 -9.360 8.510 -3.448 516 H ARG 61 H ARG 61 -10.579 6.040 -2.574 517 HA ARG 61 HA ARG 61 -11.767 3.740 -3.782 518 HB2 ARG 61 2HB ARG 61 -12.626 4.691 -1.655 519 HB3 ARG 61 3HB ARG 61 -13.063 6.183 -2.478 520 HG2 ARG 61 2HG ARG 61 -15.075 4.942 -2.192 521 HG3 ARG 61 3HG ARG 61 -14.668 4.845 -3.900 522 HD2 ARG 61 2HD ARG 61 -15.296 2.652 -3.394 523 HD3 ARG 61 3HD ARG 61 -13.538 2.571 -3.259 524 HE ARG 61 HE ARG 61 -14.108 3.040 -0.743 525 HH11 ARG 61 1HH1 ARG 61 -15.843 0.864 -2.933 526 HH12 ARG 61 2HH1 ARG 61 -16.362 -0.187 -1.656 527 HH21 ARG 61 1HH2 ARG 61 -14.817 1.618 0.906 528 HH22 ARG 61 2HH2 ARG 61 -15.780 0.238 0.498 529 H GLN 62 H GLN 62 -11.855 3.686 -5.951 530 HA GLN 62 HA GLN 62 -12.769 5.997 -7.525 531 HB2 GLN 62 2HB GLN 62 -10.687 4.648 -8.197 532 HB3 GLN 62 3HB GLN 62 -11.766 3.313 -8.582 533 HG2 GLN 62 2HG GLN 62 -11.171 4.592 -10.600 534 HG3 GLN 62 3HG GLN 62 -12.902 4.674 -10.269 535 HE21 GLN 62 1HE2 GLN 62 -13.292 6.598 -11.326 536 HE22 GLN 62 2HE2 GLN 62 -12.652 8.123 -10.818 537 H GLY 63 H GLY 63 -14.918 5.974 -6.884 538 HA2 GLY 63 2HA GLY 63 -17.146 5.506 -7.018 539 HA3 GLY 63 3HA GLY 63 -16.784 4.313 -8.257 540 H ASN 64 H ASN 64 -16.742 2.196 -7.718 541 HA ASN 64 HA ASN 64 -17.394 1.356 -4.961 542 HB2 ASN 64 2HB ASN 64 -17.706 -0.075 -7.646 543 HB3 ASN 64 3HB ASN 64 -18.039 -0.834 -6.090 544 HD21 ASN 64 1HD2 ASN 64 -19.782 -0.141 -8.423 545 HD22 ASN 64 2HD2 ASN 64 -21.102 0.736 -7.736 546 H THR 65 H THR 65 -15.025 1.043 -7.519 547 HA THR 65 HA THR 65 -13.494 -1.080 -6.214 548 HB THR 65 HB THR 65 -11.935 -0.711 -8.220 549 HG1 THR 65 HG1 THR 65 -12.474 1.369 -8.831 550 HG21 THR 65 1HG2 THR 65 -14.828 -1.389 -8.851 551 HG22 THR 65 2HG2 THR 65 -13.605 -2.514 -8.259 552 HG23 THR 65 3HG2 THR 65 -13.430 -1.792 -9.859 553 H TRP 66 H TRP 66 -11.011 -0.650 -6.238 554 HA TRP 66 HA TRP 66 -10.353 2.032 -5.164 555 HB2 TRP 66 2HB TRP 66 -9.033 -0.688 -4.675 556 HB3 TRP 66 3HB TRP 66 -8.423 0.845 -4.052 557 HD1 TRP 66 HD1 TRP 66 -11.092 -1.788 -3.368 558 HE1 TRP 66 HE1 TRP 66 -12.384 -1.161 -1.235 559 HE3 TRP 66 HE3 TRP 66 -9.167 2.881 -2.580 560 HZ2 TRP 66 HZ2 TRP 66 -12.578 1.023 0.525 561 HZ3 TRP 66 HZ3 TRP 66 -9.962 4.177 -0.644 562 HH2 TRP 66 HH2 TRP 66 -11.636 3.258 0.881 563 H THR 67 H THR 67 -8.216 2.846 -5.771 564 HA THR 67 HA THR 67 -6.930 1.735 -8.155 565 HB THR 67 HB THR 67 -8.667 3.290 -9.062 566 HG1 THR 67 HG1 THR 67 -7.245 3.668 -10.545 567 HG21 THR 67 1HG2 THR 67 -8.779 4.910 -7.169 568 HG22 THR 67 2HG2 THR 67 -8.538 5.707 -8.722 569 HG23 THR 67 3HG2 THR 67 -7.177 5.517 -7.616 570 H VAL 68 H VAL 68 -4.744 2.116 -8.138 571 HA VAL 68 HA VAL 68 -3.604 3.469 -5.815 572 HB VAL 68 HB VAL 68 -2.239 1.910 -8.055 573 HG11 VAL 68 1HG1 VAL 68 -0.206 1.955 -6.636 574 HG12 VAL 68 2HG1 VAL 68 -1.024 3.019 -5.488 575 HG13 VAL 68 3HG1 VAL 68 -0.685 3.584 -7.126 576 HG21 VAL 68 1HG2 VAL 68 -3.660 0.506 -6.621 577 HG22 VAL 68 2HG2 VAL 68 -2.857 1.131 -5.177 578 HG23 VAL 68 3HG2 VAL 68 -1.956 0.154 -6.336 579 H LYS 69 H LYS 69 -3.271 5.528 -5.894 580 HA LYS 69 HA LYS 69 -3.275 7.142 -8.257 581 HB2 LYS 69 2HB LYS 69 -2.629 7.904 -5.370 582 HB3 LYS 69 3HB LYS 69 -3.019 9.022 -6.678 583 HG2 LYS 69 2HG LYS 69 -4.906 6.951 -5.502 584 HG3 LYS 69 3HG LYS 69 -4.920 8.679 -5.137 585 HD2 LYS 69 2HD LYS 69 -5.478 7.412 -7.852 586 HD3 LYS 69 3HD LYS 69 -6.681 8.076 -6.745 587 HE2 LYS 69 2HE LYS 69 -4.522 9.626 -8.218 588 HE3 LYS 69 3HE LYS 69 -6.261 9.680 -8.508 589 HZ1 LYS 69 1HZ LYS 69 -4.915 10.572 -6.014 590 HZ2 LYS 69 2HZ LYS 69 -6.576 10.641 -6.331 591 HZ3 LYS 69 3HZ LYS 69 -5.506 11.582 -7.238 592 H ARG 70 H ARG 70 -0.867 6.360 -5.754 593 HA ARG 70 HA ARG 70 1.293 6.375 -7.662 594 HB2 ARG 70 2HB ARG 70 2.685 8.062 -6.571 595 HB3 ARG 70 3HB ARG 70 1.187 8.797 -7.120 596 HG2 ARG 70 2HG ARG 70 0.328 8.949 -4.892 597 HG3 ARG 70 3HG ARG 70 1.597 7.905 -4.253 598 HD2 ARG 70 2HD ARG 70 1.928 10.310 -3.700 599 HD3 ARG 70 3HD ARG 70 3.274 9.618 -4.604 600 HE ARG 70 HE ARG 70 2.620 10.856 -6.510 601 HH11 ARG 70 1HH1 ARG 70 0.649 11.678 -3.692 602 HH12 ARG 70 2HH1 ARG 70 0.104 13.179 -4.371 603 HH21 ARG 70 1HH2 ARG 70 1.901 12.833 -7.372 604 HH22 ARG 70 2HH2 ARG 70 0.812 13.828 -6.455 605 H ILE 71 H ILE 71 3.212 5.582 -6.855 606 HA ILE 71 HA ILE 71 3.287 4.354 -4.158 607 HB ILE 71 HB ILE 71 5.018 3.699 -6.607 608 HG12 ILE 71 2HG1 ILE 71 2.681 2.970 -7.026 609 HG13 ILE 71 3HG1 ILE 71 3.770 1.597 -6.876 610 HG21 ILE 71 1HG2 ILE 71 5.784 1.749 -5.322 611 HG22 ILE 71 2HG2 ILE 71 4.804 2.244 -3.941 612 HG23 ILE 71 3HG2 ILE 71 6.153 3.252 -4.478 613 HD11 ILE 71 1HD1 ILE 71 1.941 2.606 -4.715 614 HD12 ILE 71 2HD1 ILE 71 2.954 1.159 -4.651 615 HD13 ILE 71 3HD1 ILE 71 1.616 1.257 -5.795 616 H THR 72 H THR 72 4.606 5.616 -2.802 617 HA THR 72 HA THR 72 7.051 6.783 -4.007 618 HB THR 72 HB THR 72 5.516 8.649 -3.474 619 HG1 THR 72 HG1 THR 72 7.420 8.960 -1.464 620 HG21 THR 72 1HG2 THR 72 4.949 9.242 -1.148 621 HG22 THR 72 2HG2 THR 72 5.665 7.737 -0.577 622 HG23 THR 72 3HG2 THR 72 4.228 7.685 -1.597 623 H ARG 73 H ARG 73 8.881 6.242 -3.047 624 HA ARG 73 HA ARG 73 8.892 4.466 -0.708 625 HB2 ARG 73 2HB ARG 73 10.217 3.925 -2.794 626 HB3 ARG 73 3HB ARG 73 11.176 5.377 -2.527 627 HG2 ARG 73 2HG ARG 73 11.916 4.370 -0.320 628 HG3 ARG 73 3HG ARG 73 11.074 2.887 -0.787 629 HD2 ARG 73 2HD ARG 73 13.402 4.177 -2.262 630 HD3 ARG 73 3HD ARG 73 13.472 2.723 -1.264 631 HE ARG 73 HE ARG 73 11.629 2.563 -3.491 632 HH11 ARG 73 1HH1 ARG 73 14.977 1.947 -2.493 633 HH12 ARG 73 2HH1 ARG 73 15.248 0.813 -3.777 634 HH21 ARG 73 1HH2 ARG 73 12.039 1.043 -5.121 635 HH22 ARG 73 2HH2 ARG 73 13.601 0.308 -5.249 636 H THR 74 H THR 74 9.720 5.137 1.297 637 HA THR 74 HA THR 74 10.287 7.891 1.812 638 HB THR 74 HB THR 74 9.349 6.434 3.601 639 HG1 THR 74 HG1 THR 74 10.461 8.282 4.254 640 HG21 THR 74 1HG2 THR 74 10.728 4.818 4.854 641 HG22 THR 74 2HG2 THR 74 12.084 5.094 3.761 642 HG23 THR 74 3HG2 THR 74 10.617 4.326 3.161 643 H VAL 75 H VAL 75 12.147 8.948 1.492 644 HA VAL 75 HA VAL 75 14.351 7.664 0.227 645 HB VAL 75 HB VAL 75 13.754 9.917 -0.455 646 HG11 VAL 75 1HG1 VAL 75 14.534 10.914 2.301 647 HG12 VAL 75 2HG1 VAL 75 12.903 10.851 1.635 648 HG13 VAL 75 3HG1 VAL 75 14.103 11.928 0.919 649 HG21 VAL 75 1HG2 VAL 75 16.093 9.241 -0.780 650 HG22 VAL 75 2HG2 VAL 75 16.529 9.897 0.800 651 HG23 VAL 75 3HG2 VAL 75 15.991 10.979 -0.488 652 H GLY 76 H GLY 76 15.767 6.497 1.216 653 HA2 GLY 76 2HA GLY 76 16.959 7.242 3.830 654 HA3 GLY 76 3HA GLY 76 16.404 5.598 3.509 655 H SER 77 H SER 77 17.158 5.325 0.848 656 HA SER 77 HA SER 77 19.989 6.045 0.590 657 HB2 SER 77 2HB SER 77 19.907 3.712 1.531 658 HB3 SER 77 3HB SER 77 18.935 3.208 0.149 659 HG SER 77 HG SER 77 21.377 2.933 0.164 660 H LEU 78 H LEU 78 19.983 7.211 -1.235 661 HA LEU 78 HA LEU 78 18.088 7.046 -3.348 662 HB2 LEU 78 2HB LEU 78 19.380 8.675 -4.517 663 HB3 LEU 78 3HB LEU 78 19.503 9.094 -2.821 664 HG LEU 78 HG LEU 78 21.710 7.629 -4.349 665 HD11 LEU 78 1HD1 LEU 78 21.538 10.607 -3.766 666 HD12 LEU 78 2HD1 LEU 78 21.368 9.848 -5.350 667 HD13 LEU 78 3HD1 LEU 78 22.907 9.762 -4.498 668 HD21 LEU 78 1HD2 LEU 78 23.170 8.272 -2.482 669 HD22 LEU 78 2HD2 LEU 78 21.813 7.304 -1.905 670 HD23 LEU 78 3HD2 LEU 78 21.812 9.053 -1.664 671 H GLU 79 H GLU 79 18.638 6.495 -5.649 672 HA GLU 79 HA GLU 79 19.701 3.880 -5.935 673 HB2 GLU 79 2HB GLU 79 19.041 5.973 -8.042 674 HB3 GLU 79 3HB GLU 79 19.442 4.295 -8.405 675 HG2 GLU 79 2HG GLU 79 17.418 3.558 -7.188 676 HG3 GLU 79 3HG GLU 79 17.030 5.244 -6.824 677 H HIS 80 H HIS 80 21.847 4.154 -4.990 678 HA HIS 80 HA HIS 80 23.926 5.420 -6.565 679 HB2 HIS 80 2HB HIS 80 24.264 5.112 -4.118 680 HB3 HIS 80 3HB HIS 80 24.135 3.368 -4.299 681 HD1 HIS 80 HD1 HIS 80 26.498 6.232 -4.799 682 HD2 HIS 80 HD2 HIS 80 26.485 2.104 -5.311 683 HE1 HIS 80 HE1 HIS 80 28.889 5.589 -5.212 684 HE2 HIS 80 HE2 HIS 80 28.848 3.105 -5.565 685 H HIS 81 H HIS 81 23.506 4.611 -8.607 686 HA HIS 81 HA HIS 81 23.192 1.847 -9.218 687 HB2 HIS 81 2HB HIS 81 23.770 4.275 -10.952 688 HB3 HIS 81 3HB HIS 81 23.663 2.655 -11.634 689 HD1 HIS 81 HD1 HIS 81 21.312 1.475 -11.502 690 HD2 HIS 81 HD2 HIS 81 21.314 5.486 -10.418 691 HE1 HIS 81 HE1 HIS 81 18.908 2.192 -11.552 692 HE2 HIS 81 HE2 HIS 81 18.925 4.604 -10.849 693 H HIS 82 H HIS 82 24.641 0.363 -9.837 694 HA HIS 82 HA HIS 82 27.153 0.546 -8.537 695 HB2 HIS 82 2HB HIS 82 25.918 -1.624 -10.287 696 HB3 HIS 82 3HB HIS 82 27.451 -1.830 -9.439 697 HD1 HIS 82 HD1 HIS 82 26.815 -3.510 -7.682 698 HD2 HIS 82 HD2 HIS 82 24.140 -0.340 -7.830 699 HE1 HIS 82 HE1 HIS 82 25.282 -3.823 -5.724 700 HE2 HIS 82 HE2 HIS 82 23.816 -1.784 -5.731 701 H HIS 83 H HIS 83 26.187 0.698 -11.919 702 HA HIS 83 HA HIS 83 27.236 1.170 -13.858 703 HB2 HIS 83 2HB HIS 83 28.991 2.798 -11.978 704 HB3 HIS 83 3HB HIS 83 29.157 2.866 -13.727 705 HD1 HIS 83 HD1 HIS 83 27.361 4.410 -10.977 706 HD2 HIS 83 HD2 HIS 83 26.714 3.862 -15.045 707 HE1 HIS 83 HE1 HIS 83 25.616 6.096 -11.620 708 HE2 HIS 83 HE2 HIS 83 25.436 5.897 -14.118 709 H HIS 84 H HIS 84 27.766 -1.040 -14.171 710 HA HIS 84 HA HIS 84 30.647 -1.677 -13.989 711 HB2 HIS 84 2HB HIS 84 30.181 -3.935 -13.202 712 HB3 HIS 84 3HB HIS 84 29.429 -2.792 -12.099 713 HD1 HIS 84 HD1 HIS 84 28.630 -5.516 -14.520 714 HD2 HIS 84 HD2 HIS 84 26.575 -2.806 -12.125 715 HE1 HIS 84 HE1 HIS 84 26.247 -6.311 -14.476 716 HE2 HIS 84 HE2 HIS 84 25.009 -4.602 -13.113 717 H HIS 85 H HIS 85 31.346 -3.278 -15.497 718 HA HIS 85 HA HIS 85 30.101 -2.939 -18.094 719 HB2 HIS 85 2HB HIS 85 32.205 -4.150 -18.904 720 HB3 HIS 85 3HB HIS 85 32.465 -2.623 -18.084 721 HD1 HIS 85 HD1 HIS 85 33.489 -2.737 -15.648 722 HD2 HIS 85 HD2 HIS 85 33.476 -6.341 -17.731 723 HE1 HIS 85 HE1 HIS 85 35.050 -4.257 -14.396 724 HE2 HIS 85 HE2 HIS 85 34.917 -6.452 -15.598 Start of MODEL 20 1 H1 MET 1 1H MET 1 -24.903 -4.906 5.101 2 H2 MET 1 2H MET 1 -25.263 -3.841 6.365 3 H3 MET 1 3H MET 1 -25.415 -5.510 6.591 4 HA MET 1 HA MET 1 -23.436 -4.726 7.661 5 HB2 MET 1 2HB MET 1 -22.880 -6.351 5.135 6 HB3 MET 1 3HB MET 1 -21.768 -6.216 6.494 7 HG2 MET 1 2HG MET 1 -22.944 -8.337 6.577 8 HG3 MET 1 3HG MET 1 -23.426 -7.335 7.947 9 HE1 MET 1 1HE MET 1 -25.610 -8.856 8.426 10 HE2 MET 1 2HE MET 1 -25.025 -9.911 7.138 11 HE3 MET 1 3HE MET 1 -26.701 -9.365 7.138 12 HA PRO 2 HA PRO 2 -21.767 -1.020 5.738 13 HB2 PRO 2 2HB PRO 2 -19.628 -0.547 7.398 14 HB3 PRO 2 3HB PRO 2 -21.313 -0.304 7.906 15 HG2 PRO 2 2HG PRO 2 -19.532 -2.676 8.409 16 HG3 PRO 2 3HG PRO 2 -20.563 -1.785 9.556 17 HD2 PRO 2 2HD PRO 2 -21.378 -4.105 8.457 18 HD3 PRO 2 3HD PRO 2 -22.524 -2.784 8.777 19 H SER 3 H SER 3 -19.709 -3.828 6.236 20 HA SER 3 HA SER 3 -17.879 -4.709 5.274 21 HB2 SER 3 2HB SER 3 -18.684 -3.003 2.878 22 HB3 SER 3 3HB SER 3 -17.505 -4.318 2.832 23 HG SER 3 HG SER 3 -19.086 -5.683 2.712 24 H GLU 4 H GLU 4 -17.628 -2.133 6.793 25 HA GLU 4 HA GLU 4 -15.855 -0.311 5.639 26 HB2 GLU 4 2HB GLU 4 -17.154 0.067 7.773 27 HB3 GLU 4 3HB GLU 4 -16.020 -0.994 8.604 28 HG2 GLU 4 2HG GLU 4 -14.180 0.631 7.743 29 HG3 GLU 4 3HG GLU 4 -15.505 1.741 7.411 30 H GLU 5 H GLU 5 -15.152 -3.027 7.827 31 HA GLU 5 HA GLU 5 -12.364 -2.742 7.971 32 HB2 GLU 5 2HB GLU 5 -14.017 -5.285 8.249 33 HB3 GLU 5 3HB GLU 5 -12.357 -5.080 8.805 34 HG2 GLU 5 2HG GLU 5 -13.068 -3.419 10.447 35 HG3 GLU 5 3HG GLU 5 -14.723 -3.496 9.846 36 H GLU 6 H GLU 6 -14.424 -4.620 5.816 37 HA GLU 6 HA GLU 6 -12.523 -6.085 4.386 38 HB2 GLU 6 2HB GLU 6 -14.912 -6.591 4.365 39 HB3 GLU 6 3HB GLU 6 -15.275 -5.082 3.535 40 HG2 GLU 6 2HG GLU 6 -14.049 -5.889 1.547 41 HG3 GLU 6 3HG GLU 6 -13.655 -7.384 2.393 42 H GLU 7 H GLU 7 -13.713 -2.784 3.951 43 HA GLU 7 HA GLU 7 -12.637 -2.218 1.431 44 HB2 GLU 7 2HB GLU 7 -12.936 -0.310 3.787 45 HB3 GLU 7 3HB GLU 7 -12.681 0.166 2.115 46 HG2 GLU 7 2HG GLU 7 -15.100 -1.393 3.046 47 HG3 GLU 7 3HG GLU 7 -15.048 0.360 2.978 48 H LYS 8 H LYS 8 -11.159 -1.619 4.663 49 HA LYS 8 HA LYS 8 -8.636 -0.812 3.629 50 HB2 LYS 8 2HB LYS 8 -9.355 -1.857 6.397 51 HB3 LYS 8 3HB LYS 8 -7.769 -1.230 5.967 52 HG2 LYS 8 2HG LYS 8 -8.728 0.627 6.970 53 HG3 LYS 8 3HG LYS 8 -9.077 0.938 5.273 54 HD2 LYS 8 2HD LYS 8 -11.062 1.450 6.522 55 HD3 LYS 8 3HD LYS 8 -11.381 -0.060 5.662 56 HE2 LYS 8 2HE LYS 8 -12.218 -0.161 7.967 57 HE3 LYS 8 3HE LYS 8 -10.935 -1.342 7.712 58 HZ1 LYS 8 1HZ LYS 8 -10.649 1.287 9.071 59 HZ2 LYS 8 2HZ LYS 8 -9.392 0.191 8.812 60 HZ3 LYS 8 3HZ LYS 8 -10.680 -0.224 9.824 61 H ARG 9 H ARG 9 -9.943 -3.990 4.475 62 HA ARG 9 HA ARG 9 -7.505 -5.467 4.429 63 HB2 ARG 9 2HB ARG 9 -10.375 -6.378 3.959 64 HB3 ARG 9 3HB ARG 9 -9.007 -7.483 4.072 65 HG2 ARG 9 2HG ARG 9 -8.571 -6.760 6.378 66 HG3 ARG 9 3HG ARG 9 -9.893 -5.593 6.273 67 HD2 ARG 9 2HD ARG 9 -10.645 -7.551 7.491 68 HD3 ARG 9 3HD ARG 9 -11.488 -7.483 5.943 69 HE ARG 9 HE ARG 9 -9.701 -9.163 5.196 70 HH11 ARG 9 1HH1 ARG 9 -10.978 -9.081 8.484 71 HH12 ARG 9 2HH1 ARG 9 -10.684 -10.768 8.762 72 HH21 ARG 9 1HH2 ARG 9 -9.328 -11.375 5.593 73 HH22 ARG 9 2HH2 ARG 9 -9.752 -12.061 7.134 74 H GLN 10 H GLN 10 -9.799 -4.529 1.916 75 HA GLN 10 HA GLN 10 -8.539 -5.837 -0.285 76 HB2 GLN 10 2HB GLN 10 -10.344 -3.380 -0.155 77 HB3 GLN 10 3HB GLN 10 -9.771 -4.069 -1.668 78 HG2 GLN 10 2HG GLN 10 -10.997 -6.126 -1.273 79 HG3 GLN 10 3HG GLN 10 -11.451 -5.589 0.347 80 HE21 GLN 10 1HE2 GLN 10 -13.048 -3.995 0.568 81 HE22 GLN 10 2HE2 GLN 10 -14.097 -3.538 -0.723 82 H VAL 11 H VAL 11 -8.257 -2.561 1.127 83 HA VAL 11 HA VAL 11 -6.657 -1.453 -0.924 84 HB VAL 11 HB VAL 11 -7.035 -0.535 1.966 85 HG11 VAL 11 1HG1 VAL 11 -6.301 1.686 1.208 86 HG12 VAL 11 2HG1 VAL 11 -5.961 1.038 -0.392 87 HG13 VAL 11 3HG1 VAL 11 -5.020 0.495 0.989 88 HG21 VAL 11 1HG2 VAL 11 -8.693 1.017 1.060 89 HG22 VAL 11 2HG2 VAL 11 -9.132 -0.637 0.652 90 HG23 VAL 11 3HG2 VAL 11 -8.415 0.406 -0.572 91 H LYS 12 H LYS 12 -5.720 -2.776 2.275 92 HA LYS 12 HA LYS 12 -2.940 -2.205 2.126 93 HB2 LYS 12 2HB LYS 12 -4.379 -4.388 3.693 94 HB3 LYS 12 3HB LYS 12 -2.712 -3.888 3.962 95 HG2 LYS 12 2HG LYS 12 -3.440 -1.686 4.704 96 HG3 LYS 12 3HG LYS 12 -5.120 -2.077 4.324 97 HD2 LYS 12 2HD LYS 12 -3.419 -3.517 6.400 98 HD3 LYS 12 3HD LYS 12 -4.617 -2.271 6.760 99 HE2 LYS 12 2HE LYS 12 -6.397 -3.719 5.816 100 HE3 LYS 12 3HE LYS 12 -5.192 -4.966 5.474 101 HZ1 LYS 12 1HZ LYS 12 -6.377 -5.412 7.533 102 HZ2 LYS 12 2HZ LYS 12 -5.887 -3.927 8.169 103 HZ3 LYS 12 3HZ LYS 12 -4.741 -5.124 7.849 104 H GLN 13 H GLN 13 -4.918 -4.937 1.131 105 HA GLN 13 HA GLN 13 -2.836 -6.738 0.400 106 HB2 GLN 13 2HB GLN 13 -5.169 -7.465 0.815 107 HB3 GLN 13 3HB GLN 13 -5.730 -6.529 -0.565 108 HG2 GLN 13 2HG GLN 13 -4.377 -8.007 -2.062 109 HG3 GLN 13 3HG GLN 13 -3.929 -8.969 -0.651 110 HE21 GLN 13 1HE2 GLN 13 -7.122 -7.542 -1.278 111 HE22 GLN 13 2HE2 GLN 13 -7.958 -9.043 -1.432 112 H VAL 14 H VAL 14 -4.921 -4.603 -1.623 113 HA VAL 14 HA VAL 14 -3.679 -4.922 -4.094 114 HB VAL 14 HB VAL 14 -5.028 -2.419 -2.952 115 HG11 VAL 14 1HG1 VAL 14 -5.335 -1.653 -5.290 116 HG12 VAL 14 2HG1 VAL 14 -4.353 -3.001 -5.865 117 HG13 VAL 14 3HG1 VAL 14 -3.628 -1.752 -4.853 118 HG21 VAL 14 1HG2 VAL 14 -6.522 -4.374 -3.045 119 HG22 VAL 14 2HG2 VAL 14 -6.168 -4.593 -4.758 120 HG23 VAL 14 3HG2 VAL 14 -7.024 -3.149 -4.210 121 H ALA 15 H ALA 15 -2.922 -2.729 -1.438 122 HA ALA 15 HA ALA 15 -0.913 -1.162 -2.584 123 HB1 ALA 15 1HB ALA 15 -2.054 -0.624 -0.467 124 HB2 ALA 15 2HB ALA 15 -0.302 -0.612 -0.264 125 HB3 ALA 15 3HB ALA 15 -1.254 -1.981 0.324 126 H LYS 16 H LYS 16 -0.683 -4.246 -0.775 127 HA LYS 16 HA LYS 16 2.190 -4.324 -0.899 128 HB2 LYS 16 2HB LYS 16 2.108 -6.402 0.236 129 HB3 LYS 16 3HB LYS 16 0.840 -5.423 0.938 130 HG2 LYS 16 2HG LYS 16 -0.861 -6.696 -0.170 131 HG3 LYS 16 3HG LYS 16 0.323 -7.532 -1.170 132 HD2 LYS 16 2HD LYS 16 0.116 -7.793 1.860 133 HD3 LYS 16 3HD LYS 16 -0.534 -8.946 0.692 134 HE2 LYS 16 2HE LYS 16 1.745 -9.367 -0.168 135 HE3 LYS 16 3HE LYS 16 2.399 -8.216 1.002 136 HZ1 LYS 16 1HZ LYS 16 1.664 -9.610 2.789 137 HZ2 LYS 16 2HZ LYS 16 2.592 -10.538 1.724 138 HZ3 LYS 16 3HZ LYS 16 0.910 -10.678 1.720 139 H GLU 17 H GLU 17 -0.419 -5.525 -2.929 140 HA GLU 17 HA GLU 17 1.072 -7.362 -4.503 141 HB2 GLU 17 2HB GLU 17 -1.343 -5.717 -5.391 142 HB3 GLU 17 3HB GLU 17 -0.715 -7.147 -6.197 143 HG2 GLU 17 2HG GLU 17 -2.067 -7.029 -3.502 144 HG3 GLU 17 3HG GLU 17 -2.716 -7.709 -4.979 145 H LYS 18 H LYS 18 0.551 -3.881 -4.661 146 HA LYS 18 HA LYS 18 1.871 -3.429 -7.171 147 HB2 LYS 18 2HB LYS 18 1.364 -1.439 -4.924 148 HB3 LYS 18 3HB LYS 18 1.757 -1.045 -6.593 149 HG2 LYS 18 2HG LYS 18 -0.800 -2.207 -5.505 150 HG3 LYS 18 3HG LYS 18 -0.568 -0.663 -6.304 151 HD2 LYS 18 2HD LYS 18 -0.363 -3.398 -7.619 152 HD3 LYS 18 3HD LYS 18 -1.720 -2.283 -7.759 153 HE2 LYS 18 2HE LYS 18 -0.325 -0.666 -8.939 154 HE3 LYS 18 3HE LYS 18 1.099 -1.693 -8.725 155 HZ1 LYS 18 1HZ LYS 18 0.008 -3.405 -10.064 156 HZ2 LYS 18 2HZ LYS 18 0.162 -1.961 -10.930 157 HZ3 LYS 18 3HZ LYS 18 -1.336 -2.401 -10.284 158 H LEU 19 H LEU 19 2.866 -3.482 -3.808 159 HA LEU 19 HA LEU 19 5.569 -2.660 -4.278 160 HB2 LEU 19 2HB LEU 19 4.180 -4.006 -1.937 161 HB3 LEU 19 3HB LEU 19 5.895 -3.638 -1.919 162 HG LEU 19 HG LEU 19 3.587 -1.660 -2.000 163 HD11 LEU 19 1HD1 LEU 19 4.573 -0.804 0.080 164 HD12 LEU 19 2HD1 LEU 19 5.835 -2.038 0.000 165 HD13 LEU 19 3HD1 LEU 19 4.149 -2.509 0.216 166 HD21 LEU 19 1HD2 LEU 19 6.538 -1.022 -2.348 167 HD22 LEU 19 2HD2 LEU 19 5.247 0.161 -2.116 168 HD23 LEU 19 3HD2 LEU 19 5.272 -0.835 -3.566 169 H LEU 20 H LEU 20 3.870 -5.723 -4.427 170 HA LEU 20 HA LEU 20 6.239 -7.355 -4.737 171 HB2 LEU 20 2HB LEU 20 3.302 -7.920 -5.297 172 HB3 LEU 20 3HB LEU 20 4.571 -9.120 -5.485 173 HG LEU 20 HG LEU 20 3.899 -7.759 -2.841 174 HD11 LEU 20 1HD1 LEU 20 2.000 -9.127 -3.575 175 HD12 LEU 20 2HD1 LEU 20 2.782 -9.817 -2.156 176 HD13 LEU 20 3HD1 LEU 20 3.060 -10.532 -3.749 177 HD21 LEU 20 1HD2 LEU 20 5.682 -10.147 -3.410 178 HD22 LEU 20 2HD2 LEU 20 5.273 -9.519 -1.811 179 HD23 LEU 20 3HD2 LEU 20 6.209 -8.532 -2.929 180 H GLU 21 H GLU 21 4.301 -5.364 -6.828 181 HA GLU 21 HA GLU 21 5.235 -6.351 -9.352 182 HB2 GLU 21 2HB GLU 21 4.224 -3.589 -8.535 183 HB3 GLU 21 3HB GLU 21 4.601 -4.036 -10.193 184 HG2 GLU 21 2HG GLU 21 2.504 -5.384 -8.483 185 HG3 GLU 21 3HG GLU 21 2.184 -4.127 -9.672 186 H GLN 22 H GLN 22 6.435 -3.953 -7.048 187 HA GLN 22 HA GLN 22 8.727 -3.166 -8.610 188 HB2 GLN 22 2HB GLN 22 8.141 -2.750 -5.642 189 HB3 GLN 22 3HB GLN 22 9.432 -1.967 -6.550 190 HG2 GLN 22 2HG GLN 22 7.732 -0.862 -7.984 191 HG3 GLN 22 3HG GLN 22 6.458 -1.602 -7.018 192 HE21 GLN 22 1HE2 GLN 22 7.915 -1.180 -4.463 193 HE22 GLN 22 2HE2 GLN 22 7.773 0.508 -4.135 194 H SER 23 H SER 23 8.054 -5.541 -6.093 195 HA SER 23 HA SER 23 10.519 -6.966 -6.563 196 HB2 SER 23 2HB SER 23 11.301 -5.227 -4.979 197 HB3 SER 23 3HB SER 23 10.047 -5.693 -3.828 198 HG SER 23 HG SER 23 12.038 -6.659 -3.325 199 HA PRO 24 HA PRO 24 7.007 -9.755 -5.404 200 HB2 PRO 24 2HB PRO 24 7.584 -11.795 -7.109 201 HB3 PRO 24 3HB PRO 24 6.864 -10.276 -7.684 202 HG2 PRO 24 2HG PRO 24 9.731 -11.150 -7.788 203 HG3 PRO 24 3HG PRO 24 8.748 -10.375 -9.051 204 HD2 PRO 24 2HD PRO 24 10.504 -8.990 -7.457 205 HD3 PRO 24 3HD PRO 24 9.057 -8.255 -8.178 206 H ASN 25 H ASN 25 10.397 -10.145 -5.134 207 HA ASN 25 HA ASN 25 10.376 -12.818 -3.952 208 HB2 ASN 25 2HB ASN 25 12.672 -10.865 -4.455 209 HB3 ASN 25 3HB ASN 25 12.843 -12.548 -3.949 210 HD21 ASN 25 1HD2 ASN 25 12.534 -14.196 -5.483 211 HD22 ASN 25 2HD2 ASN 25 12.403 -13.879 -7.178 212 H SER 26 H SER 26 10.223 -9.555 -2.912 213 HA SER 26 HA SER 26 11.679 -9.851 -0.424 214 HB2 SER 26 2HB SER 26 11.051 -7.479 -0.070 215 HB3 SER 26 3HB SER 26 11.754 -7.731 -1.667 216 HG SER 26 HG SER 26 9.686 -7.671 -2.541 217 H LYS 27 H LYS 27 10.805 -9.519 1.683 218 HA LYS 27 HA LYS 27 8.054 -10.291 2.138 219 HB2 LYS 27 2HB LYS 27 9.714 -11.019 3.750 220 HB3 LYS 27 3HB LYS 27 10.267 -9.373 4.028 221 HG2 LYS 27 2HG LYS 27 8.896 -10.237 5.893 222 HG3 LYS 27 3HG LYS 27 8.173 -8.815 5.141 223 HD2 LYS 27 2HD LYS 27 6.448 -10.460 5.645 224 HD3 LYS 27 3HD LYS 27 6.608 -10.288 3.899 225 HE2 LYS 27 2HE LYS 27 7.929 -12.371 3.816 226 HE3 LYS 27 3HE LYS 27 7.791 -12.533 5.568 227 HZ1 LYS 27 1HZ LYS 27 5.378 -12.683 5.301 228 HZ2 LYS 27 2HZ LYS 27 6.176 -13.911 4.468 229 HZ3 LYS 27 3HZ LYS 27 5.546 -12.596 3.624 230 H VAL 28 H VAL 28 6.423 -8.899 1.936 231 HA VAL 28 HA VAL 28 6.797 -6.036 2.616 232 HB VAL 28 HB VAL 28 4.485 -7.266 1.027 233 HG11 VAL 28 1HG1 VAL 28 5.284 -4.357 1.434 234 HG12 VAL 28 2HG1 VAL 28 3.903 -5.171 2.171 235 HG13 VAL 28 3HG1 VAL 28 3.953 -4.925 0.424 236 HG21 VAL 28 1HG2 VAL 28 6.569 -7.527 -0.259 237 HG22 VAL 28 2HG2 VAL 28 6.919 -5.807 -0.078 238 HG23 VAL 28 3HG2 VAL 28 5.516 -6.329 -1.016 239 H GLN 29 H GLN 29 6.184 -5.665 4.658 240 HA GLN 29 HA GLN 29 3.895 -7.109 5.888 241 HB2 GLN 29 2HB GLN 29 5.994 -7.387 7.126 242 HB3 GLN 29 3HB GLN 29 6.296 -5.655 7.096 243 HG2 GLN 29 2HG GLN 29 5.572 -6.347 9.314 244 HG3 GLN 29 3HG GLN 29 4.369 -5.280 8.590 245 HE21 GLN 29 1HE2 GLN 29 2.622 -5.996 9.775 246 HE22 GLN 29 2HE2 GLN 29 1.976 -7.596 9.667 247 H VAL 30 H VAL 30 2.159 -5.827 6.729 248 HA VAL 30 HA VAL 30 1.886 -3.106 5.864 249 HB VAL 30 HB VAL 30 -0.109 -4.527 6.145 250 HG11 VAL 30 1HG1 VAL 30 -1.004 -5.137 8.363 251 HG12 VAL 30 2HG1 VAL 30 0.453 -4.497 9.129 252 HG13 VAL 30 3HG1 VAL 30 0.561 -5.893 8.055 253 HG21 VAL 30 1HG2 VAL 30 -0.147 -2.123 8.018 254 HG22 VAL 30 2HG2 VAL 30 -1.568 -2.895 7.306 255 HG23 VAL 30 3HG2 VAL 30 -0.392 -2.087 6.269 256 H ARG 31 H ARG 31 2.563 -1.279 6.872 257 HA ARG 31 HA ARG 31 3.843 -1.474 9.524 258 HB2 ARG 31 2HB ARG 31 5.176 -0.479 7.701 259 HB3 ARG 31 3HB ARG 31 3.932 0.733 7.411 260 HG2 ARG 31 2HG ARG 31 5.742 1.756 8.634 261 HG3 ARG 31 3HG ARG 31 4.339 1.651 9.695 262 HD2 ARG 31 2HD ARG 31 5.383 -0.483 10.643 263 HD3 ARG 31 3HD ARG 31 6.852 -0.055 9.752 264 HE ARG 31 HE ARG 31 5.627 1.791 11.721 265 HH11 ARG 31 1HH1 ARG 31 8.459 -0.041 10.662 266 HH12 ARG 31 2HH1 ARG 31 9.504 0.707 11.829 267 HH21 ARG 31 1HH2 ARG 31 7.031 2.773 13.199 268 HH22 ARG 31 2HH2 ARG 31 8.699 2.289 13.253 269 H ARG 32 H ARG 32 1.718 0.869 7.826 270 HA ARG 32 HA ARG 32 -0.047 1.171 10.111 271 HB2 ARG 32 2HB ARG 32 1.776 3.434 9.206 272 HB3 ARG 32 3HB ARG 32 0.247 3.770 9.999 273 HG2 ARG 32 2HG ARG 32 2.492 2.158 11.261 274 HG3 ARG 32 3HG ARG 32 2.256 3.891 11.492 275 HD2 ARG 32 2HD ARG 32 1.297 2.837 13.398 276 HD3 ARG 32 3HD ARG 32 -0.061 3.349 12.394 277 HE ARG 32 HE ARG 32 0.950 0.556 12.489 278 HH11 ARG 32 1HH1 ARG 32 -1.774 2.796 12.437 279 HH12 ARG 32 2HH1 ARG 32 -2.963 1.532 12.450 280 HH21 ARG 32 1HH2 ARG 32 -0.651 -1.092 12.490 281 HH22 ARG 32 2HH2 ARG 32 -2.335 -0.654 12.474 282 H VAL 33 H VAL 33 -1.929 2.637 9.569 283 HA VAL 33 HA VAL 33 -2.516 2.853 6.672 284 HB VAL 33 HB VAL 33 -4.372 1.453 8.686 285 HG11 VAL 33 1HG1 VAL 33 -4.840 2.031 5.731 286 HG12 VAL 33 2HG1 VAL 33 -5.689 2.771 7.090 287 HG13 VAL 33 3HG1 VAL 33 -5.885 1.051 6.762 288 HG21 VAL 33 1HG2 VAL 33 -2.529 -0.010 7.972 289 HG22 VAL 33 2HG2 VAL 33 -2.916 0.295 6.278 290 HG23 VAL 33 3HG2 VAL 33 -4.065 -0.568 7.304 291 H GLN 34 H GLN 34 -3.205 4.888 6.304 292 HA GLN 34 HA GLN 34 -4.671 6.410 8.392 293 HB2 GLN 34 2HB GLN 34 -2.743 7.547 6.300 294 HB3 GLN 34 3HB GLN 34 -3.615 8.469 7.517 295 HG2 GLN 34 2HG GLN 34 -1.464 8.316 8.406 296 HG3 GLN 34 3HG GLN 34 -2.339 7.041 9.252 297 HE21 GLN 34 1HE2 GLN 34 -0.545 5.855 9.704 298 HE22 GLN 34 2HE2 GLN 34 0.424 5.071 8.508 299 H LYS 35 H LYS 35 -6.762 6.571 7.738 300 HA LYS 35 HA LYS 35 -7.532 6.526 4.925 301 HB2 LYS 35 2HB LYS 35 -8.736 5.393 6.943 302 HB3 LYS 35 3HB LYS 35 -9.364 6.982 7.331 303 HG2 LYS 35 2HG LYS 35 -9.826 5.717 4.616 304 HG3 LYS 35 3HG LYS 35 -10.848 5.333 5.998 305 HD2 LYS 35 2HD LYS 35 -11.456 7.736 6.201 306 HD3 LYS 35 3HD LYS 35 -10.458 8.098 4.789 307 HE2 LYS 35 2HE LYS 35 -11.892 6.721 3.366 308 HE3 LYS 35 3HE LYS 35 -12.837 6.201 4.764 309 HZ1 LYS 35 1HZ LYS 35 -12.649 9.011 3.808 310 HZ2 LYS 35 2HZ LYS 35 -13.642 8.437 5.049 311 HZ3 LYS 35 3HZ LYS 35 -13.916 7.952 3.455 312 H GLN 36 H GLN 36 -7.176 8.377 3.820 313 HA GLN 36 HA GLN 36 -7.596 11.024 5.120 314 HB2 GLN 36 2HB GLN 36 -5.552 10.265 2.965 315 HB3 GLN 36 3HB GLN 36 -5.779 11.877 3.631 316 HG2 GLN 36 2HG GLN 36 -4.803 9.449 5.173 317 HG3 GLN 36 3HG GLN 36 -3.793 10.761 4.568 318 HE21 GLN 36 1HE2 GLN 36 -4.180 9.819 7.312 319 HE22 GLN 36 2HE2 GLN 36 -4.699 11.188 8.216 320 H GLY 37 H GLY 37 -9.701 11.331 4.398 321 HA2 GLY 37 2HA GLY 37 -11.276 12.263 3.005 322 HA3 GLY 37 3HA GLY 37 -10.052 12.377 1.749 323 H ASN 38 H ASN 38 -9.960 10.830 0.177 324 HA ASN 38 HA ASN 38 -11.768 8.468 0.338 325 HB2 ASN 38 2HB ASN 38 -10.828 9.926 -2.186 326 HB3 ASN 38 3HB ASN 38 -11.888 8.516 -2.130 327 HD21 ASN 38 1HD2 ASN 38 -14.034 8.790 -1.503 328 HD22 ASN 38 2HD2 ASN 38 -14.793 10.340 -1.426 329 H THR 39 H THR 39 -8.567 9.624 0.098 330 HA THR 39 HA THR 39 -7.422 7.230 -1.128 331 HB THR 39 HB THR 39 -5.960 9.710 -0.107 332 HG1 THR 39 HG1 THR 39 -7.681 9.727 -2.065 333 HG21 THR 39 1HG2 THR 39 -4.219 9.041 -1.733 334 HG22 THR 39 2HG2 THR 39 -5.155 7.607 -2.161 335 HG23 THR 39 3HG2 THR 39 -4.489 7.777 -0.534 336 H ILE 40 H ILE 40 -7.384 5.575 0.380 337 HA ILE 40 HA ILE 40 -6.421 5.987 3.089 338 HB ILE 40 HB ILE 40 -6.907 3.391 1.539 339 HG12 ILE 40 2HG1 ILE 40 -8.650 4.878 3.555 340 HG13 ILE 40 3HG1 ILE 40 -8.986 4.680 1.840 341 HG21 ILE 40 1HG2 ILE 40 -6.820 2.264 3.736 342 HG22 ILE 40 2HG2 ILE 40 -6.423 3.796 4.516 343 HG23 ILE 40 3HG2 ILE 40 -5.289 3.068 3.376 344 HD11 ILE 40 1HD1 ILE 40 -8.957 2.483 3.916 345 HD12 ILE 40 2HD1 ILE 40 -9.278 2.270 2.193 346 HD13 ILE 40 3HD1 ILE 40 -10.374 3.230 3.180 347 H ARG 41 H ARG 41 -4.368 6.579 3.253 348 HA ARG 41 HA ARG 41 -2.196 5.634 1.589 349 HB2 ARG 41 2HB ARG 41 -2.332 7.378 4.086 350 HB3 ARG 41 3HB ARG 41 -0.803 6.907 3.354 351 HG2 ARG 41 2HG ARG 41 -1.530 8.035 1.242 352 HG3 ARG 41 3HG ARG 41 -2.964 8.619 2.089 353 HD2 ARG 41 2HD ARG 41 -1.703 10.040 3.496 354 HD3 ARG 41 3HD ARG 41 -0.198 9.165 3.192 355 HE ARG 41 HE ARG 41 -1.153 10.293 0.774 356 HH11 ARG 41 1HH1 ARG 41 0.360 11.302 3.796 357 HH12 ARG 41 2HH1 ARG 41 1.119 12.686 3.082 358 HH21 ARG 41 1HH2 ARG 41 -0.081 12.047 -0.159 359 HH22 ARG 41 2HH2 ARG 41 0.872 13.114 0.833 360 H VAL 42 H VAL 42 -1.945 3.434 1.882 361 HA VAL 42 HA VAL 42 -1.544 2.374 4.598 362 HB VAL 42 HB VAL 42 -1.275 0.878 1.943 363 HG11 VAL 42 1HG1 VAL 42 -1.528 -1.149 3.315 364 HG12 VAL 42 2HG1 VAL 42 -1.636 -0.173 4.781 365 HG13 VAL 42 3HG1 VAL 42 -0.135 -0.207 3.849 366 HG21 VAL 42 1HG2 VAL 42 -3.549 1.746 2.125 367 HG22 VAL 42 2HG2 VAL 42 -3.707 1.066 3.750 368 HG23 VAL 42 3HG2 VAL 42 -3.536 -0.004 2.353 369 H GLU 43 H GLU 43 0.373 2.981 5.390 370 HA GLU 43 HA GLU 43 2.862 2.906 3.927 371 HB2 GLU 43 2HB GLU 43 2.385 2.886 6.950 372 HB3 GLU 43 3HB GLU 43 3.926 3.183 6.150 373 HG2 GLU 43 2HG GLU 43 2.899 5.242 5.104 374 HG3 GLU 43 3HG GLU 43 1.467 4.952 6.088 375 H LEU 44 H LEU 44 3.988 1.080 3.455 376 HA LEU 44 HA LEU 44 3.774 -1.283 5.231 377 HB2 LEU 44 2HB LEU 44 4.168 -1.691 2.238 378 HB3 LEU 44 3HB LEU 44 3.713 -2.847 3.467 379 HG LEU 44 HG LEU 44 1.498 -1.344 3.623 380 HD11 LEU 44 1HD1 LEU 44 0.809 -0.479 1.437 381 HD12 LEU 44 2HD1 LEU 44 2.397 -0.857 0.767 382 HD13 LEU 44 3HD1 LEU 44 2.238 0.363 2.034 383 HD21 LEU 44 1HD2 LEU 44 0.379 -2.834 2.037 384 HD22 LEU 44 2HD2 LEU 44 1.492 -3.723 3.077 385 HD23 LEU 44 3HD2 LEU 44 1.945 -3.360 1.408 386 H GLU 45 H GLU 45 5.663 -2.655 5.127 387 HA GLU 45 HA GLU 45 8.165 -1.148 4.680 388 HB2 GLU 45 2HB GLU 45 7.381 -1.414 7.074 389 HB3 GLU 45 3HB GLU 45 7.519 -3.161 6.897 390 HG2 GLU 45 2HG GLU 45 9.928 -2.991 6.620 391 HG3 GLU 45 3HG GLU 45 9.839 -1.231 6.573 392 H LEU 46 H LEU 46 9.118 -2.009 2.980 393 HA LEU 46 HA LEU 46 8.867 -4.875 2.251 394 HB2 LEU 46 2HB LEU 46 7.928 -3.106 0.725 395 HB3 LEU 46 3HB LEU 46 9.516 -2.413 0.562 396 HG LEU 46 HG LEU 46 8.867 -5.229 -0.425 397 HD11 LEU 46 1HD1 LEU 46 7.391 -3.633 -1.566 398 HD12 LEU 46 2HD1 LEU 46 8.591 -4.287 -2.669 399 HD13 LEU 46 3HD1 LEU 46 8.779 -2.647 -2.032 400 HD21 LEU 46 1HD2 LEU 46 11.096 -3.323 -1.211 401 HD22 LEU 46 2HD2 LEU 46 10.793 -4.919 -1.908 402 HD23 LEU 46 3HD2 LEU 46 11.271 -4.774 -0.223 403 H ARG 47 H ARG 47 10.806 -6.078 1.911 404 HA ARG 47 HA ARG 47 13.332 -4.717 2.701 405 HB2 ARG 47 2HB ARG 47 12.930 -7.731 2.456 406 HB3 ARG 47 3HB ARG 47 14.198 -6.872 3.319 407 HG2 ARG 47 2HG ARG 47 12.401 -6.027 4.899 408 HG3 ARG 47 3HG ARG 47 11.289 -7.139 4.100 409 HD2 ARG 47 2HD ARG 47 13.797 -7.854 5.652 410 HD3 ARG 47 3HD ARG 47 12.124 -8.193 6.107 411 HE ARG 47 HE ARG 47 12.917 -9.368 3.595 412 HH11 ARG 47 1HH1 ARG 47 12.830 -9.911 7.076 413 HH12 ARG 47 2HH1 ARG 47 12.923 -11.637 6.924 414 HH21 ARG 47 1HH2 ARG 47 13.056 -11.609 3.411 415 HH22 ARG 47 2HH2 ARG 47 13.054 -12.605 4.833 416 H THR 48 H THR 48 14.004 -3.799 0.801 417 HA THR 48 HA THR 48 13.980 -5.212 -1.744 418 HB THR 48 HB THR 48 15.246 -2.475 -1.178 419 HG1 THR 48 HG1 THR 48 12.912 -2.757 -0.540 420 HG21 THR 48 1HG2 THR 48 14.707 -2.035 -3.551 421 HG22 THR 48 2HG2 THR 48 14.021 -3.650 -3.712 422 HG23 THR 48 3HG2 THR 48 15.752 -3.456 -3.410 423 H ASN 49 H ASN 49 15.486 -6.873 -1.669 424 HA ASN 49 HA ASN 49 17.471 -7.880 -2.121 425 HB2 ASN 49 2HB ASN 49 17.799 -5.911 -3.642 426 HB3 ASN 49 3HB ASN 49 18.569 -5.031 -2.331 427 HD21 ASN 49 1HD2 ASN 49 20.485 -4.746 -3.487 428 HD22 ASN 49 2HD2 ASN 49 21.557 -6.047 -3.841 429 H GLY 50 H GLY 50 16.649 -6.981 0.669 430 HA2 GLY 50 2HA GLY 50 17.587 -7.709 2.724 431 HA3 GLY 50 3HA GLY 50 19.205 -7.497 2.067 432 H LYS 51 H LYS 51 18.050 -4.755 1.011 433 HA LYS 51 HA LYS 51 18.374 -3.202 3.486 434 HB2 LYS 51 2HB LYS 51 18.116 -2.460 0.536 435 HB3 LYS 51 3HB LYS 51 17.981 -1.239 1.791 436 HG2 LYS 51 2HG LYS 51 20.405 -3.021 1.412 437 HG3 LYS 51 3HG LYS 51 20.248 -1.397 0.744 438 HD2 LYS 51 2HD LYS 51 20.226 -2.116 3.701 439 HD3 LYS 51 3HD LYS 51 21.566 -1.372 2.826 440 HE2 LYS 51 2HE LYS 51 20.204 0.632 2.390 441 HE3 LYS 51 3HE LYS 51 18.820 -0.113 3.195 442 HZ1 LYS 51 1HZ LYS 51 20.017 1.464 4.617 443 HZ2 LYS 51 2HZ LYS 51 21.408 0.509 4.515 444 HZ3 LYS 51 3HZ LYS 51 20.019 -0.098 5.259 445 H LYS 52 H LYS 52 16.599 -2.621 4.680 446 HA LYS 52 HA LYS 52 13.933 -3.181 3.530 447 HB2 LYS 52 2HB LYS 52 14.575 -4.421 5.593 448 HB3 LYS 52 3HB LYS 52 14.763 -2.899 6.465 449 HG2 LYS 52 2HG LYS 52 12.407 -2.440 6.366 450 HG3 LYS 52 3HG LYS 52 12.139 -3.706 5.163 451 HD2 LYS 52 2HD LYS 52 11.310 -4.472 7.307 452 HD3 LYS 52 3HD LYS 52 12.734 -5.421 6.887 453 HE2 LYS 52 2HE LYS 52 14.096 -4.070 8.438 454 HE3 LYS 52 3HE LYS 52 12.682 -3.081 8.825 455 HZ1 LYS 52 1HZ LYS 52 12.870 -6.009 9.286 456 HZ2 LYS 52 2HZ LYS 52 11.580 -5.003 9.717 457 HZ3 LYS 52 3HZ LYS 52 13.082 -4.825 10.479 458 H GLU 53 H GLU 53 12.650 -1.541 3.011 459 HA GLU 53 HA GLU 53 13.169 1.167 4.068 460 HB2 GLU 53 2HB GLU 53 14.065 0.851 1.726 461 HB3 GLU 53 3HB GLU 53 12.442 0.474 1.181 462 HG2 GLU 53 2HG GLU 53 12.946 2.752 0.593 463 HG3 GLU 53 3HG GLU 53 11.717 2.769 1.855 464 H ASN 54 H ASN 54 11.413 2.522 4.282 465 HA ASN 54 HA ASN 54 8.787 1.256 4.537 466 HB2 ASN 54 2HB ASN 54 9.730 4.057 5.307 467 HB3 ASN 54 3HB ASN 54 8.156 3.369 5.691 468 HD21 ASN 54 1HD2 ASN 54 9.007 0.764 6.452 469 HD22 ASN 54 2HD2 ASN 54 9.898 0.900 7.923 470 H TYR 55 H TYR 55 7.455 1.307 2.847 471 HA TYR 55 HA TYR 55 7.396 3.606 0.970 472 HB2 TYR 55 2HB TYR 55 6.325 0.759 0.607 473 HB3 TYR 55 3HB TYR 55 6.205 2.051 -0.586 474 HD1 TYR 55 HD1 TYR 55 8.105 2.608 -2.013 475 HD2 TYR 55 HD2 TYR 55 8.575 -0.223 1.152 476 HE1 TYR 55 HE1 TYR 55 10.310 1.970 -2.908 477 HE2 TYR 55 HE2 TYR 55 10.773 -0.864 0.261 478 HH TYR 55 HH TYR 55 12.019 -0.797 -1.854 479 H THR 56 H THR 56 5.161 4.127 0.162 480 HA THR 56 HA THR 56 2.936 3.525 1.989 481 HB THR 56 HB THR 56 3.723 6.388 1.222 482 HG1 THR 56 HG1 THR 56 4.221 4.852 3.525 483 HG21 THR 56 1HG2 THR 56 1.491 5.372 3.030 484 HG22 THR 56 2HG2 THR 56 1.278 6.100 1.435 485 HG23 THR 56 3HG2 THR 56 1.913 7.065 2.767 486 H VAL 57 H VAL 57 1.656 2.543 0.493 487 HA VAL 57 HA VAL 57 1.410 3.638 -2.217 488 HB VAL 57 HB VAL 57 0.131 1.115 -1.058 489 HG11 VAL 57 1HG1 VAL 57 0.477 1.990 -3.951 490 HG12 VAL 57 2HG1 VAL 57 -1.038 1.986 -3.047 491 HG13 VAL 57 3HG1 VAL 57 -0.224 0.463 -3.407 492 HG21 VAL 57 1HG2 VAL 57 2.579 0.921 -0.980 493 HG22 VAL 57 2HG2 VAL 57 2.686 1.356 -2.688 494 HG23 VAL 57 3HG2 VAL 57 1.906 -0.153 -2.207 495 H GLU 58 H GLU 58 0.165 5.312 -2.223 496 HA GLU 58 HA GLU 58 -2.144 5.800 -0.578 497 HB2 GLU 58 2HB GLU 58 -1.136 7.293 -3.049 498 HB3 GLU 58 3HB GLU 58 -2.243 7.920 -1.833 499 HG2 GLU 58 2HG GLU 58 -0.442 7.902 -0.157 500 HG3 GLU 58 3HG GLU 58 0.664 7.194 -1.328 501 H VAL 59 H VAL 59 -3.936 4.566 -1.021 502 HA VAL 59 HA VAL 59 -4.723 4.050 -3.843 503 HB VAL 59 HB VAL 59 -5.424 2.395 -1.369 504 HG11 VAL 59 1HG1 VAL 59 -5.884 1.807 -4.312 505 HG12 VAL 59 2HG1 VAL 59 -7.120 2.212 -3.116 506 HG13 VAL 59 3HG1 VAL 59 -6.223 0.700 -2.978 507 HG21 VAL 59 1HG2 VAL 59 -3.019 2.195 -1.819 508 HG22 VAL 59 2HG2 VAL 59 -3.348 1.763 -3.500 509 HG23 VAL 59 3HG2 VAL 59 -3.848 0.681 -2.195 510 H GLU 60 H GLU 60 -6.377 5.352 -4.409 511 HA GLU 60 HA GLU 60 -8.371 6.265 -2.415 512 HB2 GLU 60 2HB GLU 60 -7.198 8.051 -3.621 513 HB3 GLU 60 3HB GLU 60 -7.631 7.347 -5.172 514 HG2 GLU 60 2HG GLU 60 -9.911 7.967 -4.943 515 HG3 GLU 60 3HG GLU 60 -9.741 8.318 -3.230 516 H ARG 61 H ARG 61 -10.583 6.099 -2.852 517 HA ARG 61 HA ARG 61 -11.442 3.759 -4.205 518 HB2 ARG 61 2HB ARG 61 -12.529 4.751 -2.179 519 HB3 ARG 61 3HB ARG 61 -13.127 6.082 -3.164 520 HG2 ARG 61 2HG ARG 61 -14.892 4.437 -2.795 521 HG3 ARG 61 3HG ARG 61 -14.455 4.479 -4.505 522 HD2 ARG 61 2HD ARG 61 -13.108 2.447 -4.242 523 HD3 ARG 61 3HD ARG 61 -13.448 2.419 -2.508 524 HE ARG 61 HE ARG 61 -15.588 2.170 -4.532 525 HH11 ARG 61 1HH1 ARG 61 -13.922 0.901 -1.727 526 HH12 ARG 61 2HH1 ARG 61 -15.082 -0.356 -1.438 527 HH21 ARG 61 1HH2 ARG 61 -17.160 0.561 -4.101 528 HH22 ARG 61 2HH2 ARG 61 -16.917 -0.548 -2.792 529 H GLN 62 H GLN 62 -12.061 3.466 -6.250 530 HA GLN 62 HA GLN 62 -12.761 5.765 -7.999 531 HB2 GLN 62 2HB GLN 62 -10.580 4.588 -8.534 532 HB3 GLN 62 3HB GLN 62 -11.480 3.106 -8.826 533 HG2 GLN 62 2HG GLN 62 -10.959 4.130 -10.941 534 HG3 GLN 62 3HG GLN 62 -12.695 4.273 -10.676 535 HE21 GLN 62 1HE2 GLN 62 -12.887 6.010 -12.119 536 HE22 GLN 62 2HE2 GLN 62 -12.261 7.585 -11.769 537 H GLY 63 H GLY 63 -14.945 5.500 -7.196 538 HA2 GLY 63 2HA GLY 63 -17.137 4.915 -7.552 539 HA3 GLY 63 3HA GLY 63 -16.598 3.907 -8.889 540 H ASN 64 H ASN 64 -16.434 1.706 -8.588 541 HA ASN 64 HA ASN 64 -17.428 0.574 -6.042 542 HB2 ASN 64 2HB ASN 64 -17.191 -0.703 -8.814 543 HB3 ASN 64 3HB ASN 64 -17.849 -1.494 -7.380 544 HD21 ASN 64 1HD2 ASN 64 -19.845 -1.836 -8.411 545 HD22 ASN 64 2HD2 ASN 64 -20.962 -0.558 -8.735 546 H THR 65 H THR 65 -14.648 0.681 -8.133 547 HA THR 65 HA THR 65 -13.226 -1.445 -6.647 548 HB THR 65 HB THR 65 -13.229 -1.666 -9.103 549 HG1 THR 65 HG1 THR 65 -11.403 -2.508 -8.329 550 HG21 THR 65 1HG2 THR 65 -11.746 0.995 -9.180 551 HG22 THR 65 2HG2 THR 65 -13.385 0.711 -9.772 552 HG23 THR 65 3HG2 THR 65 -12.020 -0.083 -10.553 553 H TRP 66 H TRP 66 -10.810 -0.943 -6.293 554 HA TRP 66 HA TRP 66 -10.402 1.850 -5.361 555 HB2 TRP 66 2HB TRP 66 -9.074 -0.784 -4.539 556 HB3 TRP 66 3HB TRP 66 -8.510 0.797 -4.011 557 HD1 TRP 66 HD1 TRP 66 -11.333 -1.732 -3.384 558 HE1 TRP 66 HE1 TRP 66 -12.622 -1.027 -1.264 559 HE3 TRP 66 HE3 TRP 66 -9.177 2.852 -2.605 560 HZ2 TRP 66 HZ2 TRP 66 -12.709 1.175 0.491 561 HZ3 TRP 66 HZ3 TRP 66 -9.918 4.195 -0.679 562 HH2 TRP 66 HH2 TRP 66 -11.649 3.370 0.840 563 H THR 67 H THR 67 -8.350 2.881 -5.902 564 HA THR 67 HA THR 67 -6.754 1.637 -8.046 565 HB THR 67 HB THR 67 -8.461 3.091 -9.170 566 HG1 THR 67 HG1 THR 67 -6.705 4.454 -10.240 567 HG21 THR 67 1HG2 THR 67 -7.061 5.409 -7.770 568 HG22 THR 67 2HG2 THR 67 -8.709 4.865 -7.445 569 HG23 THR 67 3HG2 THR 67 -8.301 5.545 -9.021 570 H VAL 68 H VAL 68 -4.651 2.470 -8.268 571 HA VAL 68 HA VAL 68 -3.532 3.442 -5.734 572 HB VAL 68 HB VAL 68 -2.165 2.241 -8.193 573 HG11 VAL 68 1HG1 VAL 68 -0.993 2.815 -5.443 574 HG12 VAL 68 2HG1 VAL 68 -0.594 3.649 -6.947 575 HG13 VAL 68 3HG1 VAL 68 -0.180 1.945 -6.745 576 HG21 VAL 68 1HG2 VAL 68 -3.711 0.669 -7.051 577 HG22 VAL 68 2HG2 VAL 68 -2.823 0.899 -5.541 578 HG23 VAL 68 3HG2 VAL 68 -2.028 0.164 -6.933 579 H LYS 69 H LYS 69 -3.386 5.592 -5.611 580 HA LYS 69 HA LYS 69 -3.150 7.416 -7.777 581 HB2 LYS 69 2HB LYS 69 -2.558 7.878 -4.821 582 HB3 LYS 69 3HB LYS 69 -2.870 9.131 -6.018 583 HG2 LYS 69 2HG LYS 69 -4.857 7.020 -5.135 584 HG3 LYS 69 3HG LYS 69 -4.813 8.675 -4.541 585 HD2 LYS 69 2HD LYS 69 -5.283 7.907 -7.449 586 HD3 LYS 69 3HD LYS 69 -6.562 8.265 -6.289 587 HE2 LYS 69 2HE LYS 69 -5.472 10.548 -5.969 588 HE3 LYS 69 3HE LYS 69 -4.460 10.165 -7.359 589 HZ1 LYS 69 1HZ LYS 69 -6.426 11.477 -7.939 590 HZ2 LYS 69 2HZ LYS 69 -7.429 10.229 -7.393 591 HZ3 LYS 69 3HZ LYS 69 -6.414 9.983 -8.725 592 H ARG 70 H ARG 70 -0.826 6.510 -5.196 593 HA ARG 70 HA ARG 70 1.433 6.558 -6.989 594 HB2 ARG 70 2HB ARG 70 1.164 8.990 -6.558 595 HB3 ARG 70 3HB ARG 70 1.217 8.704 -4.823 596 HG2 ARG 70 2HG ARG 70 3.363 9.582 -5.627 597 HG3 ARG 70 3HG ARG 70 3.557 7.944 -5.001 598 HD2 ARG 70 2HD ARG 70 3.454 7.086 -7.355 599 HD3 ARG 70 3HD ARG 70 3.396 8.759 -7.922 600 HE ARG 70 HE ARG 70 5.663 8.475 -6.295 601 HH11 ARG 70 1HH1 ARG 70 4.481 7.259 -9.386 602 HH12 ARG 70 2HH1 ARG 70 6.069 7.057 -10.055 603 HH21 ARG 70 1HH2 ARG 70 7.759 8.246 -7.224 604 HH22 ARG 70 2HH2 ARG 70 7.925 7.615 -8.835 605 H ILE 71 H ILE 71 2.917 5.114 -6.273 606 HA ILE 71 HA ILE 71 3.067 4.312 -3.462 607 HB ILE 71 HB ILE 71 4.862 3.508 -5.816 608 HG12 ILE 71 2HG1 ILE 71 2.492 1.994 -4.614 609 HG13 ILE 71 3HG1 ILE 71 2.514 2.771 -6.193 610 HG21 ILE 71 1HG2 ILE 71 5.964 3.214 -3.632 611 HG22 ILE 71 2HG2 ILE 71 5.603 1.649 -4.358 612 HG23 ILE 71 3HG2 ILE 71 4.592 2.265 -3.050 613 HD11 ILE 71 1HD1 ILE 71 4.122 0.375 -5.325 614 HD12 ILE 71 2HD1 ILE 71 4.326 1.207 -6.870 615 HD13 ILE 71 3HD1 ILE 71 2.792 0.433 -6.483 616 H THR 72 H THR 72 3.890 5.958 -2.269 617 HA THR 72 HA THR 72 6.244 7.480 -3.173 618 HB THR 72 HB THR 72 4.374 7.942 -0.794 619 HG1 THR 72 HG1 THR 72 3.212 8.618 -2.459 620 HG21 THR 72 1HG2 THR 72 5.462 10.132 -0.553 621 HG22 THR 72 2HG2 THR 72 6.577 9.755 -1.866 622 HG23 THR 72 3HG2 THR 72 6.654 8.843 -0.358 623 H ARG 73 H ARG 73 8.101 6.518 -2.658 624 HA ARG 73 HA ARG 73 8.642 4.948 -0.307 625 HB2 ARG 73 2HB ARG 73 9.972 4.743 -2.401 626 HB3 ARG 73 3HB ARG 73 10.486 6.420 -2.260 627 HG2 ARG 73 2HG ARG 73 11.662 5.819 -0.124 628 HG3 ARG 73 3HG ARG 73 11.249 4.130 -0.419 629 HD2 ARG 73 2HD ARG 73 12.563 4.151 -2.498 630 HD3 ARG 73 3HD ARG 73 12.918 5.869 -2.275 631 HE ARG 73 HE ARG 73 13.819 4.736 0.024 632 HH11 ARG 73 1HH1 ARG 73 14.523 4.096 -3.372 633 HH12 ARG 73 2HH1 ARG 73 16.137 3.543 -3.050 634 HH21 ARG 73 1HH2 ARG 73 15.896 3.976 0.440 635 HH22 ARG 73 2HH2 ARG 73 16.923 3.470 -0.874 636 H THR 74 H THR 74 9.563 5.690 1.685 637 HA THR 74 HA THR 74 9.408 8.460 2.398 638 HB THR 74 HB THR 74 9.195 6.664 4.109 639 HG1 THR 74 HG1 THR 74 9.813 8.699 4.853 640 HG21 THR 74 1HG2 THR 74 12.184 6.233 3.723 641 HG22 THR 74 2HG2 THR 74 10.913 5.086 3.297 642 HG23 THR 74 3HG2 THR 74 11.188 5.503 4.986 643 H VAL 75 H VAL 75 11.081 9.999 2.564 644 HA VAL 75 HA VAL 75 13.168 9.790 0.617 645 HB VAL 75 HB VAL 75 12.884 11.929 2.777 646 HG11 VAL 75 1HG1 VAL 75 14.207 12.074 0.040 647 HG12 VAL 75 2HG1 VAL 75 15.041 11.982 1.591 648 HG13 VAL 75 3HG1 VAL 75 14.072 13.403 1.199 649 HG21 VAL 75 1HG2 VAL 75 10.743 11.711 1.579 650 HG22 VAL 75 2HG2 VAL 75 11.566 11.916 0.031 651 HG23 VAL 75 3HG2 VAL 75 11.527 13.244 1.195 652 H GLY 76 H GLY 76 14.651 8.222 1.111 653 HA2 GLY 76 2HA GLY 76 15.811 7.714 3.666 654 HA3 GLY 76 3HA GLY 76 16.412 7.143 2.114 655 H SER 77 H SER 77 17.227 9.076 0.725 656 HA SER 77 HA SER 77 18.452 11.274 2.139 657 HB2 SER 77 2HB SER 77 20.228 9.238 0.695 658 HB3 SER 77 3HB SER 77 20.763 10.817 1.267 659 HG SER 77 HG SER 77 19.813 9.908 3.386 660 H LEU 78 H LEU 78 19.291 12.859 0.698 661 HA LEU 78 HA LEU 78 19.060 12.593 -2.164 662 HB2 LEU 78 2HB LEU 78 17.437 14.285 -2.602 663 HB3 LEU 78 3HB LEU 78 16.695 13.200 -1.449 664 HG LEU 78 HG LEU 78 17.846 15.945 -0.775 665 HD11 LEU 78 1HD1 LEU 78 15.852 16.166 -2.164 666 HD12 LEU 78 2HD1 LEU 78 15.492 16.659 -0.512 667 HD13 LEU 78 3HD1 LEU 78 14.948 15.085 -1.099 668 HD21 LEU 78 1HD2 LEU 78 16.732 15.689 1.410 669 HD22 LEU 78 2HD2 LEU 78 17.960 14.450 1.167 670 HD23 LEU 78 3HD2 LEU 78 16.253 14.045 0.981 671 H GLU 79 H GLU 79 19.654 14.827 -3.179 672 HA GLU 79 HA GLU 79 21.560 16.322 -1.498 673 HB2 GLU 79 2HB GLU 79 23.313 16.181 -3.235 674 HB3 GLU 79 3HB GLU 79 22.920 14.599 -2.593 675 HG2 GLU 79 2HG GLU 79 21.894 15.665 -5.233 676 HG3 GLU 79 3HG GLU 79 23.326 14.658 -5.061 677 H HIS 80 H HIS 80 21.772 18.461 -2.048 678 HA HIS 80 HA HIS 80 19.737 19.625 -3.740 679 HB2 HIS 80 2HB HIS 80 20.644 21.801 -3.012 680 HB3 HIS 80 3HB HIS 80 20.394 20.742 -1.634 681 HD1 HIS 80 HD1 HIS 80 22.369 20.381 -0.103 682 HD2 HIS 80 HD2 HIS 80 23.457 22.209 -3.677 683 HE1 HIS 80 HE1 HIS 80 24.746 21.128 0.204 684 HE2 HIS 80 HE2 HIS 80 25.423 22.103 -2.004 685 H HIS 81 H HIS 81 20.327 21.260 -5.436 686 HA HIS 81 HA HIS 81 22.357 20.295 -7.261 687 HB2 HIS 81 2HB HIS 81 20.453 22.675 -7.414 688 HB3 HIS 81 3HB HIS 81 21.564 22.224 -8.709 689 HD1 HIS 81 HD1 HIS 81 18.154 21.926 -8.030 690 HD2 HIS 81 HD2 HIS 81 21.020 19.179 -9.264 691 HE1 HIS 81 HE1 HIS 81 16.873 20.043 -9.087 692 HE2 HIS 81 HE2 HIS 81 18.621 18.374 -9.761 693 H HIS 82 H HIS 82 24.277 21.351 -7.824 694 HA HIS 82 HA HIS 82 25.711 22.438 -5.656 695 HB2 HIS 82 2HB HIS 82 27.633 22.550 -7.167 696 HB3 HIS 82 3HB HIS 82 26.741 21.061 -7.453 697 HD1 HIS 82 HD1 HIS 82 27.380 24.444 -9.016 698 HD2 HIS 82 HD2 HIS 82 25.825 20.726 -10.054 699 HE1 HIS 82 HE1 HIS 82 27.012 24.531 -11.499 700 HE2 HIS 82 HE2 HIS 82 26.195 22.240 -12.115 701 H HIS 83 H HIS 83 23.839 24.042 -8.031 702 HA HIS 83 HA HIS 83 24.711 26.677 -7.013 703 HB2 HIS 83 2HB HIS 83 25.533 26.309 -9.350 704 HB3 HIS 83 3HB HIS 83 23.884 26.004 -9.884 705 HD1 HIS 83 HD1 HIS 83 23.017 27.997 -11.106 706 HD2 HIS 83 HD2 HIS 83 25.527 29.108 -7.977 707 HE1 HIS 83 HE1 HIS 83 23.072 30.513 -11.142 708 HE2 HIS 83 HE2 HIS 83 24.492 31.144 -9.171 709 H HIS 84 H HIS 84 23.031 27.099 -5.631 710 HA HIS 84 HA HIS 84 20.281 27.052 -6.739 711 HB2 HIS 84 2HB HIS 84 20.552 25.160 -5.131 712 HB3 HIS 84 3HB HIS 84 21.032 26.298 -3.877 713 HD1 HIS 84 HD1 HIS 84 18.039 24.979 -5.680 714 HD2 HIS 84 HD2 HIS 84 18.863 27.849 -2.783 715 HE1 HIS 84 HE1 HIS 84 15.815 25.600 -4.688 716 HE2 HIS 84 HE2 HIS 84 16.357 27.223 -2.846 717 H HIS 85 H HIS 85 20.102 29.189 -7.135 718 HA HIS 85 HA HIS 85 20.511 31.193 -5.057 719 HB2 HIS 85 2HB HIS 85 20.995 31.852 -7.364 720 HB3 HIS 85 3HB HIS 85 19.401 31.342 -7.900 721 HD1 HIS 85 HD1 HIS 85 21.108 34.096 -5.963 722 HD2 HIS 85 HD2 HIS 85 17.384 33.258 -7.617 723 HE1 HIS 85 HE1 HIS 85 19.793 36.230 -5.799 724 HE2 HIS 85 HE2 HIS 85 17.536 35.688 -6.753
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