NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
13153 | 1u6p | cing | 1-original | 30 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 276 1H5* G 276 72.456 25.459 4.153 2 2H5* G 276 2H5* G 276 73.696 24.228 3.912 3 H4* G 276 H4* G 276 71.755 23.215 4.892 4 H3* G 276 H3* G 276 72.334 22.449 2.046 5 H2* G 276 H2* G 276 70.523 20.917 2.071 6 2HO* G 276 2HO* G 276 69.867 20.186 4.054 7 H1* G 276 H1* G 276 68.762 22.782 3.253 8 H8 G 276 H8 G 276 70.912 24.328 0.606 9 H1 G 276 H1 G 276 65.609 21.431 -1.711 10 1H2 G 276 1H2 G 276 64.703 20.348 -0.208 11 2H2 G 276 2H2 G 276 65.293 20.241 1.435 12 1H5* G 277 1H5* G 277 71.658 18.638 3.724 13 2H5* G 277 2H5* G 277 73.017 17.637 3.212 14 H4* G 277 H4* G 277 70.975 16.607 2.499 15 H3* G 277 H3* G 277 72.592 17.804 0.246 16 H2* G 277 H2* G 277 71.122 16.765 -1.285 17 2HO* G 277 2HO* G 277 70.277 14.877 -0.591 18 H1* G 277 H1* G 277 68.830 17.448 0.293 19 H8 G 277 H8 G 277 71.080 20.361 -0.214 20 H1 G 277 H1 G 277 67.110 19.313 -5.216 21 1H2 G 277 1H2 G 277 66.188 17.482 -4.992 22 2H2 G 277 2H2 G 277 66.450 16.394 -3.648 23 1H5* C 278 1H5* C 278 72.331 13.616 -0.144 24 2H5* C 278 2H5* C 278 73.635 12.785 -0.992 25 H4* C 278 H4* C 278 71.510 12.428 -2.106 26 H3* C 278 H3* C 278 73.566 14.040 -3.606 27 H2* C 278 H2* C 278 72.156 14.011 -5.515 28 2HO* C 278 2HO* C 278 71.549 11.798 -5.049 29 H1* C 278 H1* C 278 69.864 14.704 -4.036 30 1H4 C 278 1H4 C 278 72.066 20.180 -6.513 31 2H4 C 278 2H4 C 278 73.061 20.383 -5.088 32 H5 C 278 H5 C 278 73.278 18.753 -3.393 33 H6 C 278 H6 C 278 72.587 16.505 -2.639 34 1H5* G 279 1H5* G 279 72.898 10.267 -5.819 35 2H5* G 279 2H5* G 279 74.307 9.819 -6.779 36 H4* G 279 H4* G 279 72.337 10.119 -8.177 37 H3* G 279 H3* G 279 74.601 12.071 -8.574 38 H2* G 279 H2* G 279 73.471 12.923 -10.485 39 2HO* G 279 2HO* G 279 72.776 10.714 -10.993 40 H1* G 279 H1* G 279 71.003 13.067 -9.104 41 H8 G 279 H8 G 279 73.615 14.318 -6.831 42 H1 G 279 H1 G 279 71.933 18.682 -11.304 43 1H2 G 279 1H2 G 279 70.792 17.771 -12.760 44 2H2 G 279 2H2 G 279 70.356 16.077 -12.768 45 1H5* G 280 1H5* G 280 74.743 9.859 -12.669 46 2H5* G 280 2H5* G 280 76.476 9.954 -12.981 47 H4* G 280 H4* G 280 75.071 11.001 -14.736 48 H3* G 280 H3* G 280 77.140 12.620 -13.274 49 H2* G 280 H2* G 280 76.690 14.474 -14.687 50 2HO* G 280 2HO* G 280 75.651 14.057 -16.629 51 H1* G 280 H1* G 280 73.922 14.293 -14.386 52 H8 G 280 H8 G 280 75.272 13.441 -11.080 53 H1 G 280 H1 G 280 75.545 19.795 -12.278 54 1H2 G 280 1H2 G 280 75.173 20.136 -14.277 55 2H2 G 280 2H2 G 280 74.838 18.886 -15.454 56 1H5* U 281 1H5* U 281 77.689 13.542 -16.722 57 2H5* U 281 2H5* U 281 79.135 13.051 -17.603 58 H4* U 281 H4* U 281 79.076 15.285 -18.085 59 H3* U 281 H3* U 281 80.748 15.017 -15.585 60 H2* U 281 H2* U 281 81.227 17.331 -15.719 61 2HO* U 281 2HO* U 281 81.454 17.862 -17.812 62 H1* U 281 H1* U 281 78.525 17.984 -16.340 63 H3 U 281 H3 U 281 79.330 20.010 -12.339 64 H5 U 281 H5 U 281 78.774 15.972 -11.376 65 H6 U 281 H6 U 281 78.771 15.501 -13.782 66 2HO* AP7 282 2HO* A 282 86.160 20.791 -16.580 67 H2* AP7 282 H2* A 282 85.387 19.634 -14.854 68 H3* AP7 282 H3* A 282 85.463 17.435 -15.736 69 H4* AP7 282 H4* A 282 84.502 18.507 -18.384 70 H1* AP7 282 H1* A 282 82.849 20.154 -16.016 71 H8 AP7 282 H8 A 282 83.249 16.787 -14.366 72 H2 AP7 282 H2 A 282 81.778 22.667 -12.221 73 H1 AP7 282 H1 A 282 81.288 21.476 -10.366 74 1H6 AP7 282 1H6 A 282 81.121 19.507 -9.167 75 2H6 AP7 282 2H6 A 282 81.560 17.974 -9.887 76 2H5* AP7 282 2H5* A 282 85.217 16.148 -18.231 77 1H5* AP7 282 1H5* A 282 83.534 16.344 -18.719 78 1H5* C 283 1H5* C 283 88.306 20.358 -16.893 79 2H5* C 283 2H5* C 283 89.885 20.209 -16.122 80 H4* C 283 H4* C 283 88.656 22.183 -15.353 81 H3* C 283 H3* C 283 89.314 20.042 -13.340 82 H2* C 283 H2* C 283 88.491 21.445 -11.611 83 2HO* C 283 2HO* C 283 87.727 23.653 -12.589 84 H1* C 283 H1* C 283 86.146 22.092 -13.020 85 1H4 C 283 1H4 C 283 84.604 17.278 -9.083 86 2H4 C 283 2H4 C 283 84.980 16.161 -10.376 87 H5 C 283 H5 C 283 85.939 16.806 -12.435 88 H6 C 283 H6 C 283 86.781 18.702 -13.775 89 1H5* U 284 1H5* U 284 90.436 23.333 -11.855 90 2H5* U 284 2H5* U 284 92.149 23.658 -11.587 91 H4* U 284 H4* U 284 91.296 24.319 -9.581 92 H3* U 284 H3* U 284 91.989 21.408 -9.295 93 H2* U 284 H2* U 284 91.295 21.464 -7.025 94 2HO* U 284 2HO* U 284 90.437 23.957 -6.697 95 H1* U 284 H1* U 284 88.881 22.746 -7.582 96 H3 U 284 H3 U 284 87.570 18.523 -6.594 97 H5 U 284 H5 U 284 89.165 18.201 -10.453 98 H6 U 284 H6 U 284 89.901 20.530 -10.235 99 1H5* A 285 1H5* A 285 93.966 23.373 -5.609 100 2H5* A 285 2H5* A 285 95.356 22.305 -5.416 101 H4* A 285 H4* A 285 93.752 22.466 -3.462 102 H3* A 285 H3* A 285 94.613 19.839 -4.655 103 H2* A 285 H2* A 285 93.465 18.698 -2.919 104 2HO* A 285 2HO* A 285 93.604 19.857 -1.089 105 H1* A 285 H1* A 285 91.142 20.253 -3.197 106 H8 A 285 H8 A 285 92.451 19.565 -6.588 107 1H6 A 285 1H6 A 285 89.526 14.057 -6.331 108 2H6 A 285 2H6 A 285 90.372 15.165 -7.388 109 H2 A 285 H2 A 285 89.431 15.872 -2.276 110 1H5* G 286 1H5* G 286 95.413 19.435 -0.330 111 2H5* G 286 2H5* G 286 96.988 18.645 -0.255 112 H4* G 286 H4* G 286 95.368 17.385 1.010 113 H3* G 286 H3* G 286 96.361 16.062 -1.511 114 H2* G 286 H2* G 286 95.221 14.080 -0.871 115 2HO* G 286 2HO* G 286 94.049 14.800 1.424 116 H1* G 286 H1* G 286 92.869 15.504 -0.183 117 H8 G 286 H8 G 286 94.141 16.870 -3.364 118 H1 G 286 H1 G 286 90.999 11.266 -4.144 119 1H2 G 286 1H2 G 286 90.689 10.388 -2.304 120 2H2 G 286 2H2 G 286 91.203 11.069 -0.777 121 1H5* U 287 1H5* U 287 96.898 13.706 1.785 122 2H5* U 287 2H5* U 287 98.310 12.650 1.845 123 H4* U 287 H4* U 287 96.335 11.315 2.059 124 H3* U 287 H3* U 287 97.766 11.013 -0.576 125 H2* U 287 H2* U 287 96.292 9.243 -1.139 126 2HO* U 287 2HO* U 287 94.787 9.352 1.188 127 H1* U 287 H1* U 287 94.012 10.680 -0.262 128 H3 U 287 H3 U 287 93.475 10.199 -4.765 129 H5 U 287 H5 U 287 96.228 13.328 -4.360 130 H6 U 287 H6 U 287 96.311 12.814 -1.963 131 1H5* U 288 1H5* U 288 97.303 7.353 0.785 132 2H5* U 288 2H5* U 288 98.737 6.328 0.817 133 H4* U 288 H4* U 288 97.218 5.104 -0.438 134 H3* U 288 H3* U 288 99.061 6.602 -2.293 135 H2* U 288 H2* U 288 98.056 5.506 -4.134 136 2HO* U 288 2HO* U 288 96.749 4.017 -2.042 137 H1* U 288 H1* U 288 95.433 5.887 -3.078 138 H3 U 288 H3 U 288 95.438 8.199 -7.001 139 H5 U 288 H5 U 288 97.584 10.632 -4.353 140 H6 U 288 H6 U 288 97.504 8.783 -2.745 141 1H5* G 289 1H5* G 289 99.393 3.043 -3.492 142 2H5* G 289 2H5* G 289 100.961 2.324 -3.861 143 H4* G 289 H4* G 289 99.868 2.360 -5.910 144 H3* G 289 H3* G 289 101.674 4.775 -5.730 145 H2* G 289 H2* G 289 101.188 5.238 -7.995 146 2HO* G 289 2HO* G 289 99.782 3.407 -8.998 147 H1* G 289 H1* G 289 98.414 4.599 -7.628 148 H8 G 289 H8 G 289 100.098 6.940 -5.177 149 H1 G 289 H1 G 289 97.307 9.885 -10.219 150 1H2 G 289 1H2 G 289 96.674 8.470 -11.579 151 2H2 G 289 2H2 G 289 96.869 6.743 -11.383 152 1H5* A 290 1H5* A 290 105.173 5.687 -7.324 153 2H5* A 290 2H5* A 290 103.442 5.796 -7.642 154 H4* A 290 H4* A 290 105.340 6.385 -9.452 155 H3* A 290 H3* A 290 102.508 5.491 -9.763 156 H2* A 290 H2* A 290 102.741 5.262 -12.107 157 2HO* A 290 2HO* A 290 104.095 7.200 -12.109 158 H1* A 290 H1* A 290 105.045 3.773 -12.032 159 H8 A 290 H8 A 290 102.616 3.380 -9.115 160 1H6 A 290 1H6 A 290 100.469 -1.614 -12.181 161 2H6 A 290 2H6 A 290 100.338 -0.698 -10.697 162 H2 A 290 H2 A 290 103.492 0.396 -14.743 163 1H5* G 291 1H5* G 291 102.785 7.737 -13.542 164 2H5* G 291 2H5* G 291 101.265 8.621 -13.407 165 H4* G 291 H4* G 291 101.432 7.039 -15.346 166 H3* G 291 H3* G 291 99.178 6.991 -13.383 167 H2* G 291 H2* G 291 98.145 5.171 -14.504 168 2HO* G 291 2HO* G 291 98.838 6.093 -16.564 169 H1* G 291 H1* G 291 100.460 3.635 -14.613 170 H8 G 291 H8 G 291 99.770 5.849 -11.574 171 H1 G 291 H1 G 291 98.026 -0.349 -10.928 172 1H2 G 291 1H2 G 291 98.320 -1.338 -12.714 173 2H2 G 291 2H2 G 291 98.947 -0.597 -14.170 174 1H5* A 292 1H5* A 292 96.236 10.712 -16.833 175 2H5* A 292 2H5* A 292 96.025 10.025 -15.223 176 H4* A 292 H4* A 292 95.910 8.731 -17.882 177 H3* A 292 H3* A 292 94.475 8.447 -15.248 178 H2* A 292 H2* A 292 93.732 6.291 -15.920 179 2HO* A 292 2HO* A 292 93.372 6.913 -18.093 180 H1* A 292 H1* A 292 96.319 5.560 -16.824 181 H8 A 292 H8 A 292 95.884 7.387 -13.512 182 1H6 A 292 1H6 A 292 96.105 1.734 -10.877 183 2H6 A 292 2H6 A 292 96.042 3.450 -10.546 184 H2 A 292 H2 A 292 96.106 1.211 -15.290 185 1H5* A 293 1H5* A 293 91.493 6.031 -16.828 186 2H5* A 293 2H5* A 293 90.166 6.774 -15.936 187 H4* A 293 H4* A 293 90.971 4.469 -15.188 188 H3* A 293 H3* A 293 90.505 6.792 -13.343 189 H2* A 293 H2* A 293 91.029 5.431 -11.471 190 2HO* A 293 2HO* A 293 89.919 3.628 -12.509 191 H1* A 293 H1* A 293 93.364 4.410 -12.579 192 H8 A 293 H8 A 293 93.252 7.882 -13.769 193 1H6 A 293 1H6 A 293 95.471 9.656 -8.212 194 2H6 A 293 2H6 A 293 95.141 10.193 -9.844 195 H2 A 293 H2 A 293 94.260 5.390 -7.928 196 1H5* A 294 1H5* A 294 88.522 2.970 -11.229 197 2H5* A 294 2H5* A 294 87.039 3.829 -10.811 198 H4* A 294 H4* A 294 88.118 2.729 -8.881 199 H3* A 294 H3* A 294 87.705 5.705 -8.872 200 H2* A 294 H2* A 294 88.525 5.818 -6.645 201 2HO* A 294 2HO* A 294 88.147 4.006 -5.508 202 H1* A 294 H1* A 294 90.774 4.232 -7.227 203 H8 A 294 H8 A 294 90.164 6.550 -10.062 204 1H6 A 294 1H6 A 294 93.380 10.853 -6.885 205 2H6 A 294 2H6 A 294 92.661 10.479 -8.435 206 H2 A 294 H2 A 294 92.615 7.411 -4.181 207 1H5* C 295 1H5* C 295 86.173 3.988 -5.694 208 2H5* C 295 2H5* C 295 84.664 4.449 -4.906 209 H4* C 295 H4* C 295 86.323 4.751 -3.283 210 H3* C 295 H3* C 295 85.559 7.389 -4.530 211 H2* C 295 H2* C 295 86.918 8.492 -2.923 212 2HO* C 295 2HO* C 295 86.289 7.060 -1.232 213 H1* C 295 H1* C 295 89.063 6.684 -3.316 214 1H4 C 295 1H4 C 295 90.633 11.807 -6.786 215 2H4 C 295 2H4 C 295 89.548 11.273 -8.049 216 H5 C 295 H5 C 295 88.121 9.402 -7.855 217 H6 C 295 H6 C 295 87.377 7.562 -6.384 218 1H5* U 296 1H5* U 296 84.557 7.612 -0.431 219 2H5* U 296 2H5* U 296 83.161 8.618 -0.043 220 H4* U 296 H4* U 296 85.104 9.517 1.035 221 H3* U 296 H3* U 296 84.076 11.178 -1.265 222 H2* U 296 H2* U 296 85.608 12.881 -0.657 223 2HO* U 296 2HO* U 296 86.091 11.152 1.597 224 H1* U 296 H1* U 296 87.723 11.021 -0.280 225 H3 U 296 H3 U 296 88.969 13.723 -3.755 226 H5 U 296 H5 U 296 86.361 10.917 -5.448 227 H6 U 296 H6 U 296 85.851 10.164 -3.170 228 1H5* A 297 1H5* A 297 84.031 13.347 2.161 229 2H5* A 297 2H5* A 297 82.764 14.542 2.437 230 H4* A 297 H4* A 297 84.843 15.685 2.463 231 H3* A 297 H3* A 297 83.251 16.173 -0.047 232 H2* A 297 H2* A 297 84.853 17.803 -0.707 233 2HO* A 297 2HO* A 297 85.052 18.456 1.560 234 H1* A 297 H1* A 297 87.021 16.089 -0.108 235 H8 A 297 H8 A 297 84.470 14.051 -1.802 236 1H6 A 297 1H6 A 297 86.632 16.231 -7.236 237 2H6 A 297 2H6 A 297 85.586 15.035 -6.504 238 H2 A 297 H2 A 297 88.434 18.631 -3.959 239 1H5* G 298 1H5* G 298 84.470 20.366 1.497 240 2H5* G 298 2H5* G 298 82.913 21.164 1.280 241 H4* G 298 H4* G 298 84.713 22.393 0.190 242 H3* G 298 H3* G 298 82.533 21.239 -1.518 243 H2* G 298 H2* G 298 83.495 22.224 -3.455 244 2HO* G 298 2HO* G 298 85.629 23.281 -1.917 245 H1* G 298 H1* G 298 86.092 21.312 -2.758 246 H8 G 298 H8 G 298 83.747 18.534 -2.197 247 H1 G 298 H1 G 298 85.173 19.333 -8.459 248 1H2 G 298 1H2 G 298 86.140 21.135 -8.721 249 2H2 G 298 2H2 G 298 86.510 22.262 -7.435 250 1H5* C 299 1H5* C 299 82.969 24.634 -2.678 251 2H5* C 299 2H5* C 299 81.717 25.861 -2.868 252 H4* C 299 H4* C 299 82.714 25.545 -4.992 253 H3* C 299 H3* C 299 79.973 24.341 -4.754 254 H2* C 299 H2* C 299 80.041 23.651 -7.006 255 2HO* C 299 2HO* C 299 81.117 25.050 -8.271 256 H1* C 299 H1* C 299 82.795 22.833 -6.764 257 1H4 C 299 1H4 C 299 79.342 17.454 -7.142 258 2H4 C 299 2H4 C 299 79.115 17.525 -5.409 259 H5 C 299 H5 C 299 79.815 19.336 -4.064 260 H6 C 299 H6 C 299 80.917 21.545 -4.051 261 1H5* U 300 1H5* U 300 80.891 26.972 -7.900 262 2H5* U 300 2H5* U 300 79.702 28.190 -8.363 263 H4* U 300 H4* U 300 80.459 27.316 -10.386 264 H3* U 300 H3* U 300 77.820 26.094 -9.621 265 H2* U 300 H2* U 300 77.781 24.889 -11.660 266 2HO* U 300 2HO* U 300 80.108 26.501 -12.193 267 H1* U 300 H1* U 300 80.399 23.976 -11.449 268 H3 U 300 H3 U 300 78.172 20.191 -10.444 269 H5 U 300 H5 U 300 77.502 22.615 -7.095 270 H6 U 300 H6 U 300 78.638 24.423 -8.300 271 1H5* C 301 1H5* C 301 76.940 28.473 -13.216 272 2H5* C 301 2H5* C 301 75.205 28.669 -13.466 273 H4* C 301 H4* C 301 76.252 27.094 -15.051 274 H3* C 301 H3* C 301 74.049 26.170 -13.236 275 H2* C 301 H2* C 301 74.100 24.014 -14.205 276 2HO* C 301 2HO* C 301 76.141 24.519 -16.010 277 H1* C 301 H1* C 301 76.962 23.955 -14.183 278 1H4 C 301 1H4 C 301 75.130 20.143 -9.388 279 2H4 C 301 2H4 C 301 74.956 21.552 -8.367 280 H5 C 301 H5 C 301 75.191 23.772 -9.137 281 H6 C 301 H6 C 301 75.656 25.201 -11.096 282 1H5* U 302 1H5* U 302 73.131 24.920 -16.473 283 2H5* U 302 2H5* U 302 71.654 25.254 -17.377 284 H4* U 302 H4* U 302 71.371 23.032 -17.223 285 H3* U 302 H3* U 302 70.350 24.017 -14.568 286 H2* U 302 H2* U 302 69.818 21.774 -13.971 287 2HO* U 302 2HO* U 302 69.169 21.331 -16.181 288 H1* U 302 H1* U 302 72.340 20.816 -14.769 289 H3 U 302 H3 U 302 73.012 20.395 -10.360 290 H5 U 302 H5 U 302 72.390 24.513 -10.798 291 H6 U 302 H6 U 302 71.935 24.092 -13.171 292 1H5* G 303 1H5* G 303 67.329 21.914 -16.388 293 2H5* G 303 2H5* G 303 65.644 22.267 -16.008 294 H4* G 303 H4* G 303 66.109 20.134 -15.110 295 H3* G 303 H3* G 303 66.068 22.251 -12.953 296 H2* G 303 H2* G 303 66.198 20.531 -11.345 297 2HO* G 303 2HO* G 303 65.269 18.628 -11.918 298 H1* G 303 H1* G 303 68.075 19.056 -12.969 299 H8 G 303 H8 G 303 69.015 22.619 -12.381 300 H1 G 303 H1 G 303 70.853 18.649 -7.612 301 1H2 G 303 1H2 G 303 69.980 16.800 -7.880 302 2H2 G 303 2H2 G 303 68.909 16.387 -9.201 303 1H5* U 304 1H5* U 304 63.048 19.518 -12.866 304 2H5* U 304 2H5* U 304 61.464 19.668 -12.106 305 H4* U 304 H4* U 304 62.736 17.920 -11.035 306 H3* U 304 H3* U 304 62.169 20.371 -9.393 307 H2* U 304 H2* U 304 63.212 19.387 -7.515 308 2HO* U 304 2HO* U 304 63.963 16.993 -8.510 309 H1* U 304 H1* U 304 65.377 18.395 -9.111 310 H3 U 304 H3 U 304 67.161 21.192 -5.937 311 H5 U 304 H5 U 304 65.777 23.710 -8.984 312 H6 U 304 H6 U 304 64.701 21.746 -9.983 313 1H5* A 305 1H5* A 305 59.456 16.824 -8.989 314 2H5* A 305 2H5* A 305 57.774 16.906 -8.467 315 H4* A 305 H4* A 305 58.914 16.193 -6.573 316 H3* A 305 H3* A 305 58.394 19.150 -6.426 317 H2* A 305 H2* A 305 59.421 19.260 -4.317 318 2HO* A 305 2HO* A 305 59.275 16.390 -4.526 319 H1* A 305 H1* A 305 61.438 17.330 -5.147 320 H8 A 305 H8 A 305 60.834 20.575 -7.021 321 1H6 A 305 1H6 A 305 65.640 22.857 -3.758 322 2H6 A 305 2H6 A 305 64.512 23.202 -5.051 323 H2 A 305 H2 A 305 64.717 18.794 -2.216 324 1H5* U 306 1H5* U 306 53.789 17.541 -5.001 325 2H5* U 306 2H5* U 306 53.086 19.083 -5.490 326 H4* U 306 H4* U 306 53.293 18.355 -2.948 327 H3* U 306 H3* U 306 53.498 21.108 -4.142 328 H2* U 306 H2* U 306 54.105 22.001 -2.114 329 2HO* U 306 2HO* U 306 53.293 20.284 -0.283 330 H1* U 306 H1* U 306 54.982 19.286 -1.196 331 H3 U 306 H3 U 306 58.828 20.753 0.519 332 H5 U 306 H5 U 306 58.102 23.546 -2.516 333 H6 U 306 H6 U 306 56.081 22.272 -3.069 334 1H5* C 307 1H5* C 307 50.647 20.979 -1.517 335 2H5* C 307 2H5* C 307 49.107 20.180 -1.830 336 H4* C 307 H4* C 307 48.763 21.728 -0.066 337 H3* C 307 H3* C 307 47.535 22.486 -2.681 338 H2* C 307 H2* C 307 46.678 24.511 -1.781 339 2HO* C 307 2HO* C 307 47.789 23.437 0.651 340 H1* C 307 H1* C 307 49.130 25.245 -0.639 341 1H4 C 307 1H4 C 307 48.767 28.109 -6.375 342 2H4 C 307 2H4 C 307 49.767 26.819 -7.005 343 H5 C 307 H5 C 307 50.379 24.904 -5.766 344 H6 C 307 H6 C 307 50.180 23.744 -3.595 345 1H5* U 308 1H5* U 308 42.947 19.365 -1.964 346 2H5* U 308 2H5* U 308 43.046 20.485 -0.606 347 H4* U 308 H4* U 308 42.782 17.748 -0.449 348 H3* U 308 H3* U 308 43.605 19.830 1.567 349 H2* U 308 H2* U 308 44.231 18.190 3.052 350 2HO* U 308 2HO* U 308 43.009 16.013 2.519 351 H1* U 308 H1* U 308 44.493 16.252 0.781 352 H3 U 308 H3 U 308 48.451 14.695 2.120 353 H5 U 308 H5 U 308 48.454 18.572 3.704 354 H6 U 308 H6 U 308 46.261 18.896 2.655 355 1H5* G 309 1H5* G 309 41.678 18.596 5.565 356 2H5* G 309 2H5* G 309 40.182 19.108 4.784 357 H4* G 309 H4* G 309 40.356 20.455 6.683 358 H3* G 309 H3* G 309 41.197 21.926 4.207 359 H2* G 309 H2* G 309 41.584 23.893 5.467 360 2HO* G 309 2HO* G 309 40.414 22.296 7.559 361 H1* G 309 H1* G 309 42.954 22.465 7.511 362 H8 G 309 H8 G 309 43.374 22.300 3.693 363 H1 G 309 H1 G 309 48.177 25.195 6.923 364 1H2 G 309 1H2 G 309 47.737 25.219 8.938 365 2H2 G 309 2H2 G 309 46.282 24.553 9.646 366 1H5* G 310 1H5* G 310 41.902 23.816 3.502 367 2H5* G 310 2H5* G 310 40.591 24.892 3.985 368 H4* G 310 H4* G 310 42.195 25.254 1.819 369 H3* G 310 H3* G 310 39.420 26.271 2.414 370 H2* G 310 H2* G 310 39.441 27.432 0.346 371 2HO* G 310 2HO* G 310 41.614 28.091 0.516 372 H1* G 310 H1* G 310 40.533 25.172 -1.016 373 H8 G 310 H8 G 310 37.787 23.902 1.023 374 H1 G 310 H1 G 310 35.641 27.041 -4.214 375 1H2 G 310 1H2 G 310 37.192 28.100 -5.066 376 2H2 G 310 2H2 G 310 38.830 28.132 -4.453 377 1H5* C 311 1H5* C 311 42.017 29.470 1.924 378 2H5* C 311 2H5* C 311 41.928 30.880 2.979 379 H4* C 311 H4* C 311 41.634 31.748 0.841 380 H3* C 311 H3* C 311 38.966 31.415 2.197 381 H2* C 311 H2* C 311 37.924 32.488 0.346 382 2HO* C 311 2HO* C 311 39.252 33.655 -1.058 383 H1* C 311 H1* C 311 39.322 30.899 -1.523 384 1H4 C 311 1H4 C 311 33.583 28.149 -0.885 385 2H4 C 311 2H4 C 311 34.199 27.245 0.480 386 H5 C 311 H5 C 311 36.342 27.576 1.417 387 H6 C 311 H6 C 311 38.441 28.868 1.273 388 1H5* G 312 1H5* G 312 38.835 36.372 1.390 389 2H5* G 312 2H5* G 312 37.334 36.434 2.314 390 H4* G 312 H4* G 312 37.545 36.904 -0.353 391 H3* G 312 H3* G 312 35.238 36.130 1.387 392 H2* G 312 H2* G 312 33.817 35.890 -0.507 393 2HO* G 312 2HO* G 312 35.938 36.453 -2.285 394 H1* G 312 H1* G 312 35.525 34.224 -1.876 395 H8 G 312 H8 G 312 36.373 33.072 1.406 396 H1 G 312 H1 G 312 30.288 31.432 -0.063 397 1H2 G 312 1H2 G 312 29.660 32.513 -1.703 398 2H2 G 312 2H2 G 312 30.637 33.689 -2.554 399 1H5* G 313 1H5* G 313 33.216 37.536 -1.797 400 2H5* G 313 2H5* G 313 32.727 39.142 -1.258 401 H4* G 313 H4* G 313 30.779 38.237 -2.137 402 H3* G 313 H3* G 313 30.793 37.958 0.856 403 H2* G 313 H2* G 313 28.624 37.004 0.788 404 2HO* G 313 2HO* G 313 28.636 37.336 -2.049 405 H1* G 313 H1* G 313 29.222 35.203 -1.242 406 H8 G 313 H8 G 313 32.135 35.778 1.076 407 H1 G 313 H1 G 313 28.033 31.184 3.064 408 1H2 G 313 1H2 G 313 26.356 31.191 1.863 409 2H2 G 313 2H2 G 313 26.100 32.279 0.518 410 1H5* A 314 1H5* A 314 27.356 39.541 -0.924 411 2H5* A 314 2H5* A 314 26.322 40.613 0.019 412 H4* A 314 H4* A 314 25.072 38.697 -0.774 413 H3* A 314 H3* A 314 25.483 38.927 2.194 414 H2* A 314 H2* A 314 24.105 37.026 2.539 415 2HO* A 314 2HO* A 314 23.708 37.324 -0.299 416 H1* A 314 H1* A 314 25.389 35.465 0.637 417 H8 A 314 H8 A 314 27.757 37.793 2.417 418 1H6 A 314 1H6 A 314 28.525 33.216 6.590 419 2H6 A 314 2H6 A 314 29.106 34.787 6.086 420 H2 A 314 H2 A 314 25.243 32.046 3.832 421 1H5* C 315 1H5* C 315 22.021 36.924 2.181 422 2H5* C 315 2H5* C 315 20.869 38.013 2.952 423 H4* C 315 H4* C 315 21.168 35.727 4.001 424 H3* C 315 H3* C 315 20.518 38.089 5.240 425 H2* C 315 H2* C 315 22.644 38.565 6.131 426 2HO* C 315 2HO* C 315 22.163 38.115 8.269 427 H1* C 315 H1* C 315 23.160 35.659 6.796 428 1H4 C 315 1H4 C 315 29.247 37.455 6.515 429 2H4 C 315 2H4 C 315 28.844 38.801 5.473 430 H5 C 315 H5 C 315 26.657 39.270 4.715 431 H6 C 315 H6 C 315 24.294 38.555 4.770 432 1H5* C 316 1H5* C 316 17.042 35.100 4.485 433 2H5* C 316 2H5* C 316 16.069 34.698 5.900 434 H4* C 316 H4* C 316 16.346 32.710 4.634 435 H3* C 316 H3* C 316 18.026 32.756 7.138 436 H2* C 316 H2* C 316 18.620 30.495 6.733 437 2HO* C 316 2HO* C 316 16.900 29.481 5.877 438 H1* C 316 H1* C 316 19.148 30.968 3.998 439 1H4 C 316 1H4 C 316 24.917 31.159 6.706 440 2H4 C 316 2H4 C 316 24.565 32.747 7.350 441 H5 C 316 H5 C 316 22.471 33.819 7.140 442 H6 C 316 H6 C 316 20.175 33.628 6.251 443 1H5* C 317 1H5* C 317 15.010 29.648 7.639 444 2H5* C 317 2H5* C 317 14.654 29.267 9.324 445 H4* C 317 H4* C 317 15.588 27.337 8.223 446 H3* C 317 H3* C 317 17.347 28.618 10.310 447 H2* C 317 H2* C 317 18.860 26.803 10.098 448 2HO* C 317 2HO* C 317 17.746 24.981 9.715 449 H1* C 317 H1* C 317 18.789 26.875 7.276 450 1H4 C 317 1H4 C 317 24.084 30.095 8.800 451 2H4 C 317 2H4 C 317 23.113 31.501 9.179 452 H5 C 317 H5 C 317 20.752 31.511 9.165 453 H6 C 317 H6 C 317 18.720 30.162 8.780 454 1H5* G 318 1H5* G 318 16.686 24.681 11.379 455 2H5* G 318 2H5* G 318 15.958 24.472 12.972 456 H4* G 318 H4* G 318 17.696 22.935 12.955 457 H3* G 318 H3* G 318 18.523 25.433 14.399 458 H2* G 318 H2* G 318 20.638 24.477 14.891 459 2HO* G 318 2HO* G 318 20.860 22.220 14.605 460 H1* G 318 H1* G 318 21.125 23.637 12.293 461 H8 G 318 H8 G 318 19.205 26.881 12.453 462 H1 G 318 H1 G 318 25.636 27.582 12.631 463 1H2 G 318 1H2 G 318 26.526 25.732 12.822 464 2H2 G 318 2H2 G 318 25.658 24.216 12.920 465 1H5* U 319 1H5* U 319 19.222 23.331 16.870 466 2H5* U 319 2H5* U 319 19.070 23.421 18.624 467 H4* U 319 H4* U 319 20.725 24.972 16.816 468 H3* U 319 H3* U 319 20.688 24.309 19.735 469 H2* U 319 H2* U 319 22.155 26.133 20.206 470 2HO* U 319 2HO* U 319 23.103 27.201 18.399 471 H1* U 319 H1* U 319 20.543 27.925 18.725 472 H3 U 319 H3 U 319 19.480 29.649 22.712 473 H5 U 319 H5 U 319 18.347 25.640 23.138 474 H6 U 319 H6 U 319 19.245 25.250 20.890 475 1H5* G 320 1H5* G 320 23.118 23.560 16.524 476 2H5* G 320 2H5* G 320 22.695 22.373 15.290 477 H4* G 320 H4* G 320 24.595 20.947 16.349 478 H3* G 320 H3* G 320 24.980 23.484 17.795 479 H2* G 320 H2* G 320 27.276 23.710 17.245 480 2HO* G 320 2HO* G 320 27.491 21.359 17.411 481 H1* G 320 H1* G 320 26.966 23.425 14.549 482 H8 G 320 H8 G 320 23.740 24.901 15.285 483 H1 G 320 H1 G 320 28.510 29.225 15.946 484 1H2 G 320 1H2 G 320 30.325 28.248 15.981 485 2H2 G 320 2H2 G 320 30.525 26.515 15.850 486 1H5* G 321 1H5* G 321 28.652 21.104 19.017 487 2H5* G 321 2H5* G 321 28.672 21.397 20.755 488 H4* G 321 H4* G 321 30.777 22.025 19.634 489 H3* G 321 H3* G 321 29.193 24.089 21.129 490 H2* G 321 H2* G 321 30.873 25.716 20.708 491 2HO* G 321 2HO* G 321 32.504 24.015 20.965 492 H1* G 321 H1* G 321 31.019 25.009 17.962 493 H8 G 321 H8 G 321 27.459 25.161 18.624 494 H1 G 321 H1 G 321 30.078 31.077 18.469 495 1H2 G 321 1H2 G 321 32.132 30.923 18.560 496 2H2 G 321 2H2 G 321 33.014 29.416 18.663 497 1H5* U 322 1H5* U 322 32.661 23.681 23.987 498 2H5* U 322 2H5* U 322 32.113 24.413 25.495 499 H4* U 322 H4* U 322 33.758 25.745 24.103 500 H3* U 322 H3* U 322 31.177 26.869 25.150 501 H2* U 322 H2* U 322 31.694 28.986 24.239 502 2HO* U 322 2HO* U 322 34.217 27.852 23.466 503 H1* U 322 H1* U 322 32.668 27.778 21.809 504 H3 U 322 H3 U 322 29.338 30.674 20.581 505 H5 U 322 H5 U 322 27.355 27.262 21.982 506 H6 U 322 H6 U 322 29.530 26.437 22.757 507 1H5* G 323 1H5* G 323 34.228 29.470 27.468 508 2H5* G 323 2H5* G 323 33.692 29.146 29.116 509 H4* G 323 H4* G 323 33.752 31.459 29.019 510 H3* G 323 H3* G 323 30.972 30.436 28.663 511 H2* G 323 H2* G 323 30.114 32.636 28.351 512 2HO* G 323 2HO* G 323 32.756 33.139 29.254 513 H1* G 323 H1* G 323 32.016 33.285 26.409 514 H8 G 323 H8 G 323 31.061 29.732 25.929 515 H1 G 323 H1 G 323 26.750 33.871 23.444 516 1H2 G 323 1H2 G 323 27.178 35.782 24.091 517 2H2 G 323 2H2 G 323 28.507 36.200 25.149 518 1H5* G 324 1H5* G 324 27.758 31.278 31.549 519 2H5* G 324 2H5* G 324 27.370 30.284 30.144 520 H4* G 324 H4* G 324 27.754 32.832 29.085 521 H3* G 324 H3* G 324 26.801 33.115 31.859 522 H2* G 324 H2* G 324 24.843 34.309 31.319 523 2HO* G 324 2HO* G 324 26.075 34.315 28.717 524 H1* G 324 H1* G 324 23.886 32.655 29.416 525 H8 G 324 H8 G 324 25.672 30.055 31.106 526 H1 G 324 H1 G 324 20.838 32.249 34.807 527 1H2 G 324 1H2 G 324 20.155 34.044 34.056 528 2H2 G 324 2H2 G 324 20.797 34.837 32.635 529 1H5* A 325 1H5* A 325 26.359 36.930 30.736 530 2H5* A 325 2H5* A 325 27.442 38.020 31.603 531 H4* A 325 H4* A 325 25.357 38.952 31.967 532 H3* A 325 H3* A 325 26.144 37.262 34.319 533 H2* A 325 H2* A 325 24.130 37.829 35.437 534 2HO* A 325 2HO* A 325 22.770 39.421 34.027 535 H1* A 325 H1* A 325 22.500 37.289 33.245 536 H8 A 325 H8 A 325 25.168 34.752 33.116 537 1H6 A 325 1H6 A 325 21.992 31.504 37.395 538 2H6 A 325 2H6 A 325 23.326 31.435 36.265 539 H2 A 325 H2 A 325 20.178 35.549 37.092 540 1H5* A 326 1H5* A 326 26.512 41.303 36.846 541 2H5* A 326 2H5* A 326 27.132 40.474 38.273 542 H4* A 326 H4* A 326 24.697 41.458 38.212 543 H3* A 326 H3* A 326 25.700 38.984 39.548 544 H2* A 326 H2* A 326 23.506 38.391 40.264 545 2HO* A 326 2HO* A 326 21.808 39.998 39.712 546 H1* A 326 H1* A 326 22.402 38.629 37.731 547 H8 A 326 H8 A 326 25.550 37.299 36.704 548 1H6 A 326 1H6 A 326 23.934 31.708 38.958 549 2H6 A 326 2H6 A 326 25.079 32.548 37.935 550 H2 A 326 H2 A 326 21.093 34.726 40.559 551 1H5* C 327 1H5* C 327 23.334 40.621 42.441 552 2H5* C 327 2H5* C 327 24.120 40.727 44.015 553 H4* C 327 H4* C 327 22.146 39.435 44.283 554 H3* C 327 H3* C 327 24.689 37.846 44.404 555 H2* C 327 H2* C 327 23.450 35.874 44.900 556 2HO* C 327 2HO* C 327 21.468 36.189 45.787 557 H1* C 327 H1* C 327 21.687 36.211 42.782 558 1H4 C 327 1H4 C 327 26.491 32.651 40.487 559 2H4 C 327 2H4 C 327 27.260 34.122 39.935 560 H5 C 327 H5 C 327 26.464 36.289 40.432 561 H6 C 327 H6 C 327 24.717 37.591 41.593 562 1H5* U 328 1H5* U 328 22.379 36.696 47.545 563 2H5* U 328 2H5* U 328 23.161 36.924 49.109 564 H4* U 328 H4* U 328 22.227 34.732 49.055 565 H3* U 328 H3* U 328 25.228 34.813 48.891 566 H2* U 328 H2* U 328 25.300 32.443 48.972 567 2HO* U 328 2HO* U 328 22.473 32.778 49.417 568 H1* U 328 H1* U 328 23.342 32.102 47.018 569 H3 U 328 H3 U 328 27.589 31.042 45.455 570 H5 U 328 H5 U 328 26.872 35.031 44.397 571 H6 U 328 H6 U 328 24.895 34.956 45.846 572 1H5* G 329 1H5* G 329 26.002 32.240 52.775 573 2H5* G 329 2H5* G 329 27.445 33.240 52.935 574 H4* G 329 H4* G 329 27.570 30.676 52.296 575 H3* G 329 H3* G 329 29.332 32.928 51.368 576 H2* G 329 H2* G 329 30.631 31.397 50.107 577 2HO* G 329 2HO* G 329 30.450 29.205 50.628 578 H1* G 329 H1* G 329 28.280 30.100 49.112 579 H8 G 329 H8 G 329 27.718 33.662 48.638 580 H1 G 329 H1 G 329 31.946 31.325 44.330 581 1H2 G 329 1H2 G 329 32.565 29.449 44.921 582 2H2 G 329 2H2 G 329 32.021 28.631 46.369 583 1H5* U 330 1H5* U 330 32.840 34.150 52.610 584 2H5* U 330 2H5* U 330 32.466 32.910 51.414 585 H4* U 330 H4* U 330 34.953 33.475 52.306 586 H3* U 330 H3* U 330 33.770 31.052 51.037 587 H2* U 330 H2* U 330 35.710 29.754 51.449 588 2HO* U 330 2HO* U 330 36.925 31.999 52.713 589 H1* U 330 H1* U 330 35.903 30.477 54.130 590 H3 U 330 H3 U 330 34.217 26.422 54.963 591 H5 U 330 H5 U 330 31.215 28.177 52.630 592 H6 U 330 H6 U 330 32.674 30.135 52.401 593 1H5* G 331 1H5* G 331 37.256 30.395 48.172 594 2H5* G 331 2H5* G 331 36.153 30.366 46.796 595 H4* G 331 H4* G 331 37.445 28.236 47.308 596 H3* G 331 H3* G 331 34.512 28.385 46.770 597 H2* G 331 H2* G 331 34.240 26.053 47.113 598 2HO* G 331 2HO* G 331 37.029 25.850 47.675 599 H1* G 331 H1* G 331 35.673 26.047 49.521 600 H8 G 331 H8 G 331 33.490 29.084 49.035 601 H1 G 331 H1 G 331 30.476 24.053 51.772 602 1H2 G 331 1H2 G 331 31.702 22.396 51.706 603 2H2 G 331 2H2 G 331 33.308 22.374 51.012 604 1H5* A 332 1H5* A 332 36.094 26.455 42.788 605 2H5* A 332 2H5* A 332 34.654 26.316 41.778 606 H4* A 332 H4* A 332 35.468 24.215 42.961 607 H3* A 332 H3* A 332 32.640 25.183 42.926 608 H2* A 332 H2* A 332 31.927 23.362 44.276 609 2HO* A 332 2HO* A 332 34.540 22.356 44.554 610 H1* A 332 H1* A 332 33.985 23.742 46.154 611 H8 A 332 H8 A 332 32.545 26.979 44.917 612 1H6 A 332 1H6 A 332 28.367 26.483 49.527 613 2H6 A 332 2H6 A 332 28.984 27.545 48.281 614 H2 A 332 H2 A 332 30.663 22.685 49.317 615 1H5* A 333 1H5* A 333 31.455 22.241 42.713 616 2H5* A 333 2H5* A 333 30.732 21.612 41.233 617 H4* A 333 H4* A 333 28.976 21.437 42.692 618 H3* A 333 H3* A 333 28.747 24.044 41.241 619 H2* A 333 H2* A 333 26.813 24.636 42.473 620 2HO* A 333 2HO* A 333 27.118 21.940 43.438 621 H1* A 333 H1* A 333 27.873 24.078 44.949 622 H8 A 333 H8 A 333 30.679 25.223 42.779 623 1H6 A 333 1H6 A 333 29.052 31.061 44.268 624 2H6 A 333 2H6 A 333 30.278 30.087 43.489 625 H2 A 333 H2 A 333 25.889 28.316 45.752 626 1H5* G 334 1H5* G 334 24.643 22.014 42.046 627 2H5* G 334 2H5* G 334 23.558 22.902 40.976 628 H4* G 334 H4* G 334 23.453 23.095 43.630 629 H3* G 334 H3* G 334 22.799 25.127 41.524 630 H2* G 334 H2* G 334 22.272 26.734 43.198 631 2HO* G 334 2HO* G 334 22.887 24.627 45.058 632 H1* G 334 H1* G 334 24.629 26.379 44.597 633 H8 G 334 H8 G 334 25.947 25.883 41.296 634 H1 G 334 H1 G 334 24.137 32.040 42.126 635 1H2 G 334 1H2 G 334 22.951 32.189 43.806 636 2H2 G 334 2H2 G 334 22.511 30.845 44.837 637 1H5* U 335 1H5* U 335 19.916 25.571 44.426 638 2H5* U 335 2H5* U 335 18.304 25.638 43.714 639 H4* U 335 H4* U 335 18.702 27.584 45.093 640 H3* U 335 H3* U 335 18.396 28.025 42.143 641 H2* U 335 H2* U 335 18.587 30.372 42.438 642 2HO* U 335 2HO* U 335 18.735 29.754 45.245 643 H1* U 335 H1* U 335 20.855 30.181 44.066 644 H3 U 335 H3 U 335 22.019 31.922 39.954 645 H5 U 335 H5 U 335 22.355 27.765 39.579 646 H6 U 335 H6 U 335 21.254 27.578 41.762 647 1H5* U 336 1H5* U 336 15.268 30.479 43.893 648 2H5* U 336 2H5* U 336 13.879 30.547 42.808 649 H4* U 336 H4* U 336 14.775 32.757 43.110 650 H3* U 336 H3* U 336 15.053 31.544 40.388 651 H2* U 336 H2* U 336 16.120 33.496 39.562 652 2HO* U 336 2HO* U 336 16.270 35.267 41.305 653 H1* U 336 H1* U 336 17.877 33.656 41.763 654 H3 U 336 H3 U 336 20.532 32.653 38.199 655 H5 U 336 H5 U 336 18.751 29.008 39.237 656 H6 U 336 H6 U 336 17.334 30.258 40.800 657 1H5* C 337 1H5* C 337 13.466 35.511 39.460 658 2H5* C 337 2H5* C 337 12.491 35.290 38.008 659 H4* C 337 H4* C 337 14.484 36.791 37.757 660 H3* C 337 H3* C 337 14.043 34.419 35.964 661 H2* C 337 H2* C 337 15.968 34.952 34.730 662 2HO* C 337 2HO* C 337 15.320 37.209 34.762 663 H1* C 337 H1* C 337 17.371 35.758 37.145 664 1H4 C 337 1H4 C 337 20.253 30.452 34.986 665 2H4 C 337 2H4 C 337 19.123 29.516 35.939 666 H5 C 337 H5 C 337 17.286 30.450 37.094 667 H6 C 337 H6 C 337 16.070 32.533 37.623 668 1H5* G 338 1H5* G 338 13.648 37.210 32.977 669 2H5* G 338 2H5* G 338 12.329 36.801 31.881 670 H4* G 338 H4* G 338 14.348 36.479 30.690 671 H3* G 338 H3* G 338 13.022 33.914 31.520 672 H2* G 338 H2* G 338 14.692 32.661 30.429 673 2HO* G 338 2HO* G 338 14.560 34.307 28.682 674 H1* G 338 H1* G 338 16.737 34.505 31.350 675 H8 G 338 H8 G 338 14.757 33.196 34.168 676 H1 G 338 H1 G 338 19.308 29.040 32.192 677 1H2 G 338 1H2 G 338 20.076 29.669 30.384 678 2H2 G 338 2H2 G 338 19.564 31.107 29.531 679 1H5* G 339 1H5* G 339 14.226 32.409 28.190 680 2H5* G 339 2H5* G 339 12.849 31.555 27.494 681 H4* G 339 H4* G 339 14.859 30.195 28.355 682 H3* G 339 H3* G 339 11.969 29.573 28.745 683 H2* G 339 H2* G 339 12.413 28.296 30.574 684 2HO* G 339 2HO* G 339 12.949 26.856 28.766 685 H1* G 339 H1* G 339 15.378 28.889 30.105 686 H8 G 339 H8 G 339 16.621 28.299 32.196 687 H1 G 339 H1 G 339 11.394 29.034 35.942 688 1H2 G 339 1H2 G 339 9.798 29.639 34.785 689 2H2 G 339 2H2 G 339 9.865 29.907 33.058 690 1H5* A 340 1H5* A 340 14.159 29.378 24.788 691 2H5* A 340 2H5* A 340 15.895 29.469 24.495 692 H4* A 340 H4* A 340 14.177 31.542 24.219 693 H3* A 340 H3* A 340 17.133 31.458 24.724 694 H2* A 340 H2* A 340 17.200 33.835 24.851 695 2HO* A 340 2HO* A 340 14.430 33.524 24.127 696 H1* A 340 H1* A 340 14.980 33.902 26.612 697 H8 A 340 H8 A 340 17.006 31.210 27.934 698 1H6 A 340 1H6 A 340 20.829 35.449 30.457 699 2H6 A 340 2H6 A 340 20.401 33.753 30.449 700 H2 A 340 H2 A 340 18.162 37.524 27.571 701 1H5* A 341 1H5* A 341 16.075 34.744 22.180 702 2H5* A 341 2H5* A 341 17.333 34.973 20.965 703 H4* A 341 H4* A 341 16.911 36.987 22.324 704 H3* A 341 H3* A 341 19.649 35.731 22.385 705 H2* A 341 H2* A 341 20.435 37.570 23.661 706 2HO* A 341 2HO* A 341 19.396 39.425 23.213 707 H1* A 341 H1* A 341 18.241 37.511 25.419 708 H8 A 341 H8 A 341 19.264 34.023 24.680 709 1H6 A 341 1H6 A 341 23.558 34.609 29.171 710 2H6 A 341 2H6 A 341 22.768 33.469 28.106 711 H2 A 341 H2 A 341 21.841 38.626 28.357 712 1H5* C 342 1H5* C 342 20.191 39.237 20.906 713 2H5* C 342 2H5* C 342 21.050 39.627 19.416 714 H4* C 342 H4* C 342 22.198 40.687 21.201 715 H3* C 342 H3* C 342 23.606 38.357 19.979 716 H2* C 342 H2* C 342 25.437 38.568 21.487 717 2HO* C 342 2HO* C 342 25.259 40.888 21.471 718 H1* C 342 H1* C 342 23.800 38.631 23.745 719 1H4 C 342 1H4 C 342 25.493 32.508 22.788 720 2H4 C 342 2H4 C 342 23.918 32.262 22.067 721 H5 C 342 H5 C 342 22.389 34.006 21.620 722 H6 C 342 H6 C 342 21.992 36.439 21.756 723 1H5* A 343 1H5* A 343 26.630 41.118 20.045 724 2H5* A 343 2H5* A 343 27.465 41.242 18.497 725 H4* A 343 H4* A 343 29.016 40.619 20.241 726 H3* A 343 H3* A 343 28.457 38.545 18.136 727 H2* A 343 H2* A 343 30.118 37.138 19.090 728 2HO* A 343 2HO* A 343 31.400 38.126 20.843 729 H1* A 343 H1* A 343 29.148 37.438 21.692 730 H8 A 343 H8 A 343 26.288 37.312 19.301 731 1H6 A 343 1H6 A 343 26.592 31.093 19.736 732 2H6 A 343 2H6 A 343 25.639 32.427 19.124 733 H2 A 343 H2 A 343 30.164 32.804 21.751 734 1H5* C 344 1H5* C 344 32.794 39.459 17.426 735 2H5* C 344 2H5* C 344 33.107 39.110 15.726 736 H4* C 344 H4* C 344 34.406 37.663 17.197 737 H3* C 344 H3* C 344 32.339 36.380 15.429 738 H2* C 344 H2* C 344 33.095 34.232 16.128 739 2HO* C 344 2HO* C 344 34.959 34.683 17.903 740 H1* C 344 H1* C 344 33.008 34.921 18.845 741 1H4 C 344 1H4 C 344 27.386 32.100 17.753 742 2H4 C 344 2H4 C 344 26.771 33.601 17.098 743 H5 C 344 H5 C 344 28.089 35.534 16.776 744 H6 C 344 H6 C 344 30.345 36.512 17.005 745 1H5* C 345 1H5* C 345 36.055 34.337 13.460 746 2H5* C 345 2H5* C 345 35.190 33.517 12.160 747 H4* C 345 H4* C 345 36.146 32.220 14.262 748 H3* C 345 H3* C 345 33.620 31.663 12.718 749 H2* C 345 H2* C 345 33.264 29.732 14.063 750 2HO* C 345 2HO* C 345 35.020 29.057 15.407 751 H1* C 345 H1* C 345 33.759 31.149 16.453 752 1H4 C 345 1H4 C 345 27.392 30.862 15.618 753 2H4 C 345 2H4 C 345 27.478 32.498 15.004 754 H5 C 345 H5 C 345 29.501 33.643 14.587 755 H6 C 345 H6 C 345 31.965 33.497 14.656 756 1H5* C 346 1H5* C 346 34.667 28.463 13.207 757 2H5* C 346 2H5* C 346 35.232 27.420 11.902 758 H4* C 346 H4* C 346 33.631 26.115 12.926 759 H3* C 346 H3* C 346 32.267 27.570 10.653 760 H2* C 346 H2* C 346 30.345 26.274 11.061 761 2HO* C 346 2HO* C 346 30.803 24.237 11.668 762 H1* C 346 H1* C 346 30.761 26.426 13.921 763 1H4 C 346 1H4 C 346 25.577 29.952 12.559 764 2H4 C 346 2H4 C 346 26.637 31.334 12.386 765 H5 C 346 H5 C 346 28.994 31.199 12.439 766 H6 C 346 H6 C 346 30.935 29.690 12.673 767 1H5* G 347 1H5* G 347 32.741 23.321 9.465 768 2H5* G 347 2H5* G 347 32.660 23.057 7.723 769 H4* G 347 H4* G 347 30.857 21.915 8.931 770 H3* G 347 H3* G 347 30.117 24.062 6.952 771 H2* G 347 H2* G 347 27.825 23.483 7.229 772 2HO* G 347 2HO* G 347 27.561 21.383 7.706 773 H1* G 347 H1* G 347 28.022 23.491 10.039 774 H8 G 347 H8 G 347 29.956 26.409 9.118 775 H1 G 347 H1 G 347 23.627 27.411 8.212 776 1H2 G 347 1H2 G 347 22.626 25.610 8.292 777 2H2 G 347 2H2 G 347 23.389 24.059 8.564 778 1H5* G 348 1H5* G 348 29.023 20.645 4.274 779 2H5* G 348 2H5* G 348 28.812 21.429 2.708 780 H4* G 348 H4* G 348 26.741 20.901 4.172 781 H3* G 348 H3* G 348 27.212 23.497 2.707 782 H2* G 348 H2* G 348 25.009 24.165 3.297 783 2HO* G 348 2HO* G 348 24.157 22.089 4.760 784 H1* G 348 H1* G 348 25.367 23.298 5.985 785 H8 G 348 H8 G 348 28.403 25.122 5.353 786 H1 G 348 H1 G 348 23.352 29.145 5.776 787 1H2 G 348 1H2 G 348 21.600 28.067 5.645 788 2H2 G 348 2H2 G 348 21.511 26.331 5.450 789 1H5* C 349 1H5* C 349 24.367 23.133 1.566 790 2H5* C 349 2H5* C 349 23.705 23.012 -0.064 791 H4* C 349 H4* C 349 22.946 25.079 0.437 792 H3* C 349 H3* C 349 25.746 25.576 -0.569 793 H2* C 349 H2* C 349 25.403 27.892 -0.300 794 2HO* C 349 2HO* C 349 23.318 28.603 -0.478 795 H1* C 349 H1* C 349 23.988 27.479 2.181 796 1H4 C 349 1H4 C 349 29.640 30.059 3.731 797 2H4 C 349 2H4 C 349 30.325 28.449 3.747 798 H5 C 349 H5 C 349 29.152 26.514 3.069 799 H6 C 349 H6 C 349 27.013 25.639 2.201 800 1H5* C 350 1H5* C 350 23.327 27.132 -4.128 801 2H5* C 350 2H5* C 350 24.432 27.112 -5.502 802 H4* C 350 H4* C 350 23.732 29.384 -4.680 803 H3* C 350 H3* C 350 26.598 28.587 -5.043 804 H2* C 350 H2* C 350 27.324 30.752 -4.391 805 2HO* C 350 2HO* C 350 24.830 31.789 -3.817 806 H1* C 350 H1* C 350 25.574 30.770 -2.146 807 1H4 C 350 1H4 C 350 31.387 29.410 0.160 808 2H4 C 350 2H4 C 350 31.082 27.718 -0.164 809 H5 C 350 H5 C 350 29.173 26.920 -1.302 810 H6 C 350 H6 C 350 27.065 27.555 -2.421 811 1H5* G 351 1H5* G 351 26.711 31.854 -7.881 812 2H5* G 351 2H5* G 351 27.090 31.099 -9.429 813 H4* G 351 H4* G 351 28.742 32.723 -9.139 814 H3* G 351 H3* G 351 29.758 29.981 -8.477 815 H2* G 351 H2* G 351 31.917 30.855 -8.015 816 2HO* G 351 2HO* G 351 32.134 33.230 -8.476 817 H1* G 351 H1* G 351 30.969 32.894 -6.370 818 H8 G 351 H8 G 351 29.060 29.632 -6.140 819 H1 G 351 H1 G 351 34.062 30.112 -2.063 820 1H2 G 351 1H2 G 351 35.140 31.817 -2.492 821 2H2 G 351 2H2 G 351 34.747 32.948 -3.767 822 1H5* C 352 1H5* C 352 32.409 31.438 -11.398 823 2H5* C 352 2H5* C 352 33.130 30.185 -12.408 824 H4* C 352 H4* C 352 34.768 31.352 -10.982 825 H3* C 352 H3* C 352 34.382 28.389 -10.711 826 H2* C 352 H2* C 352 36.099 28.277 -9.088 827 2HO* C 352 2HO* C 352 36.452 30.987 -9.975 828 H1* C 352 H1* C 352 35.126 30.605 -7.743 829 1H4 C 352 1H4 C 352 33.292 25.697 -4.090 830 2H4 C 352 2H4 C 352 31.948 25.413 -5.173 831 H5 C 352 H5 C 352 31.619 26.583 -7.198 832 H6 C 352 H6 C 352 32.508 28.332 -8.697 833 1H5* A 353 1H5* A 353 38.096 28.844 -13.650 834 2H5* A 353 2H5* A 353 38.160 27.355 -14.592 835 H4* A 353 H4* A 353 40.065 27.603 -13.054 836 H3* A 353 H3* A 353 38.228 25.256 -12.835 837 H2* A 353 H2* A 353 39.455 24.371 -11.005 838 2HO* A 353 2HO* A 353 41.182 26.527 -11.783 839 H1* A 353 H1* A 353 39.506 26.815 -9.627 840 H8 A 353 H8 A 353 36.283 25.990 -11.434 841 1H6 A 353 1H6 A 353 34.390 23.466 -6.049 842 2H6 A 353 2H6 A 353 33.884 23.901 -7.666 843 H2 A 353 H2 A 353 38.666 24.599 -5.627 844 1H5* A 354 1H5* A 354 42.417 23.778 -12.708 845 2H5* A 354 2H5* A 354 42.464 22.329 -13.713 846 H4* A 354 H4* A 354 43.389 21.887 -11.516 847 H3* A 354 H3* A 354 40.879 20.462 -12.306 848 H2* A 354 H2* A 354 40.816 19.300 -10.237 849 2HO* A 354 2HO* A 354 43.181 19.165 -10.306 850 H1* A 354 H1* A 354 41.239 21.626 -8.720 851 H8 A 354 H8 A 354 38.953 22.487 -11.500 852 1H6 A 354 1H6 A 354 34.274 20.280 -8.009 853 2H6 A 354 2H6 A 354 34.659 21.175 -9.462 854 H2 A 354 H2 A 354 38.109 19.149 -6.070 855 1H5* C 355 1H5* C 355 43.443 17.008 -11.344 856 2H5* C 355 2H5* C 355 43.258 15.911 -12.712 857 H4* C 355 H4* C 355 42.677 14.727 -10.729 858 H3* C 355 H3* C 355 40.373 15.400 -12.525 859 H2* C 355 H2* C 355 38.868 14.270 -11.081 860 2HO* C 355 2HO* C 355 39.820 12.593 -10.089 861 H1* C 355 H1* C 355 39.983 15.499 -8.772 862 1H4 C 355 1H4 C 355 34.617 18.754 -9.970 863 2H4 C 355 2H4 C 355 35.479 19.701 -11.162 864 H5 C 355 H5 C 355 37.708 19.276 -11.818 865 H6 C 355 H6 C 355 39.678 17.824 -11.487 866 1H5* C 356 1H5* C 356 40.940 11.084 -12.261 867 2H5* C 356 2H5* C 356 40.024 10.059 -13.366 868 H4* C 356 H4* C 356 39.229 9.943 -11.032 869 H3* C 356 H3* C 356 37.343 10.912 -13.174 870 H2* C 356 H2* C 356 35.580 10.887 -11.582 871 2HO* C 356 2HO* C 356 36.667 10.112 -9.332 872 H1* C 356 H1* C 356 37.136 12.204 -9.628 873 1H4 C 356 1H4 C 356 33.645 16.849 -12.271 874 2H4 C 356 2H4 C 356 34.755 16.905 -13.621 875 H5 C 356 H5 C 356 36.554 15.401 -13.909 876 H6 C 356 H6 C 356 37.741 13.454 -12.961 877 1H5* C 357 1H5* C 357 36.006 7.924 -11.279 878 2H5* C 357 2H5* C 357 35.971 6.248 -11.828 879 H4* C 357 H4* C 357 33.982 6.249 -10.773 880 H3* C 357 H3* C 357 33.401 7.268 -13.520 881 H2* C 357 H2* C 357 31.148 7.735 -12.968 882 2HO* C 357 2HO* C 357 30.368 6.876 -10.942 883 H1* C 357 H1* C 357 31.690 9.123 -10.662 884 1H4 C 357 1H4 C 357 32.021 13.532 -15.283 885 2H4 C 357 2H4 C 357 33.727 13.185 -15.453 886 H5 C 357 H5 C 357 34.836 11.440 -14.311 887 H6 C 357 H6 C 357 34.577 9.579 -12.709 888 1H5* U 358 1H5* U 358 29.674 5.938 -12.638 889 2H5* U 358 2H5* U 358 29.470 4.548 -13.705 890 H4* U 358 H4* U 358 27.612 5.862 -14.155 891 H3* U 358 H3* U 358 29.730 6.390 -16.233 892 H2* U 358 H2* U 358 28.190 7.764 -17.405 893 2HO* U 358 2HO* U 358 26.161 7.032 -17.183 894 H1* U 358 H1* U 358 27.371 9.090 -15.039 895 H3 U 358 H3 U 358 29.437 12.488 -17.157 896 H5 U 358 H5 U 358 32.582 9.882 -16.233 897 H6 U 358 H6 U 358 30.897 8.293 -15.427 898 1H5* G 359 1H5* G 359 26.099 5.029 -17.650 899 2H5* G 359 2H5* G 359 25.976 3.974 -19.057 900 H4* G 359 H4* G 359 24.571 5.839 -19.454 901 H3* G 359 H3* G 359 27.100 5.852 -21.067 902 H2* G 359 H2* G 359 26.433 7.845 -22.161 903 2HO* G 359 2HO* G 359 24.199 8.560 -21.699 904 H1* G 359 H1* G 359 25.632 9.067 -19.724 905 H8 G 359 H8 G 359 28.897 7.374 -19.271 906 H1 G 359 H1 G 359 29.429 13.164 -22.111 907 1H2 G 359 1H2 G 359 27.558 13.837 -22.659 908 2H2 G 359 2H2 G 359 26.068 12.963 -22.389 909 1H5* G 360 1H5* G 360 23.646 5.463 -23.250 910 2H5* G 360 2H5* G 360 23.347 4.481 -24.683 911 H4* G 360 H4* G 360 23.009 6.620 -25.470 912 H3* G 360 H3* G 360 25.858 5.842 -26.070 913 H2* G 360 H2* G 360 26.125 7.876 -27.267 914 2HO* G 360 2HO* G 360 24.245 8.976 -27.881 915 H1* G 360 H1* G 360 24.924 9.402 -25.217 916 H8 G 360 H8 G 360 27.212 6.799 -23.827 917 H1 G 360 H1 G 360 30.264 12.195 -25.684 918 1H2 G 360 1H2 G 360 28.961 13.395 -26.738 919 2H2 G 360 2H2 G 360 27.290 12.999 -27.070 920 1H5* G 361 1H5* G 361 23.404 5.380 -29.748 921 2H5* G 361 2H5* G 361 23.963 4.246 -30.977 922 H4* G 361 H4* G 361 24.300 6.418 -31.845 923 H3* G 361 H3* G 361 26.832 5.070 -30.965 924 H2* G 361 H2* G 361 28.111 6.925 -31.724 925 2HO* G 361 2HO* G 361 26.694 7.209 -33.554 926 H1* G 361 H1* G 361 26.410 8.783 -30.440 927 H8 G 361 H8 G 361 27.073 5.812 -28.279 928 H1 G 361 H1 G 361 31.739 10.289 -28.014 929 1H2 G 361 1H2 G 361 31.432 11.692 -29.494 930 2H2 G 361 2H2 G 361 30.107 11.661 -30.636 931 1H5* A 362 1H5* A 362 26.463 5.687 -35.211 932 2H5* A 362 2H5* A 362 27.172 4.580 -36.387 933 H4* A 362 H4* A 362 28.031 6.735 -36.854 934 H3* A 362 H3* A 362 30.015 4.897 -35.552 935 H2* A 362 H2* A 362 31.701 6.561 -35.717 936 2HO* A 362 2HO* A 362 31.268 8.361 -37.077 937 H1* A 362 H1* A 362 30.117 8.583 -34.649 938 H8 A 362 H8 A 362 29.152 5.531 -32.823 939 1H6 A 362 1H6 A 362 34.175 6.364 -29.214 940 2H6 A 362 2H6 A 362 32.690 5.457 -29.388 941 H2 A 362 H2 A 362 34.474 9.136 -32.674 942 1H5* G 363 1H5* G 363 32.224 7.161 -38.363 943 2H5* G 363 2H5* G 363 33.432 6.067 -39.036 944 H4* G 363 H4* G 363 34.157 8.125 -37.607 945 H3* G 363 H3* G 363 35.343 5.367 -37.551 946 H2* G 363 H2* G 363 36.936 6.065 -35.939 947 2HO* G 363 2HO* G 363 37.093 8.140 -37.060 948 H1* G 363 H1* G 363 35.071 7.294 -34.287 949 H8 G 363 H8 G 363 33.289 4.373 -35.615 950 H1 G 363 H1 G 363 37.575 2.760 -31.042 951 1H2 G 363 1H2 G 363 38.812 4.365 -30.661 952 2H2 G 363 2H2 G 363 38.704 5.917 -31.461 953 1H5* A 364 1H5* A 364 40.256 5.594 -38.713 954 2H5* A 364 2H5* A 364 39.327 4.888 -40.035 955 H4* A 364 H4* A 364 38.983 3.519 -37.452 956 H3* A 364 H3* A 364 41.685 4.135 -38.200 957 H2* A 364 H2* A 364 41.886 2.349 -39.665 958 2HO* A 364 2HO* A 364 42.053 0.406 -37.970 959 H1* A 364 H1* A 364 39.628 1.020 -38.065 960 H8 A 364 H8 A 364 39.056 1.539 -41.644 961 1H6 A 364 1H6 A 364 40.751 -4.392 -42.597 962 2H6 A 364 2H6 A 364 40.015 -2.991 -43.342 963 H2 A 364 H2 A 364 41.819 -3.294 -38.426 964 1H5* G 365 1H5* G 365 42.274 5.144 -33.171 965 2H5* G 365 2H5* G 365 43.765 4.203 -33.191 966 H4* G 365 H4* G 365 41.888 4.146 -31.214 967 H3* G 365 H3* G 365 44.319 2.845 -31.679 968 H2* G 365 H2* G 365 43.402 0.823 -32.421 969 2HO* G 365 2HO* G 365 43.824 -0.334 -30.590 970 H1* G 365 H1* G 365 41.051 1.421 -30.540 971 H8 G 365 H8 G 365 39.628 0.996 -33.684 972 H1 G 365 H1 G 365 40.966 -4.846 -31.241 973 1H2 G 365 1H2 G 365 42.295 -4.650 -29.676 974 2H2 G 365 2H2 G 365 42.949 -3.129 -29.110 975 1H5* G 366 1H5* G 366 43.649 4.371 -26.082 976 2H5* G 366 2H5* G 366 43.364 2.783 -26.792 977 H4* G 366 H4* G 366 42.272 4.580 -28.633 978 H3* G 366 H3* G 366 41.800 5.561 -25.821 979 H2* G 366 H2* G 366 39.602 6.190 -26.450 980 2HO* G 366 2HO* G 366 40.317 6.964 -28.508 981 H1* G 366 H1* G 366 39.143 3.749 -27.811 982 H8 G 366 H8 G 366 40.721 2.657 -24.752 983 H1 G 366 H1 G 366 34.703 4.763 -23.643 984 1H2 G 366 1H2 G 366 34.023 5.805 -25.288 985 2H2 G 366 2H2 G 366 34.947 6.068 -26.750 986 1H5* U 367 1H5* U 367 43.266 9.852 -28.382 987 2H5* U 367 2H5* U 367 42.589 11.014 -27.241 988 H4* U 367 H4* U 367 42.117 11.457 -29.669 989 H3* U 367 H3* U 367 39.913 11.262 -27.629 990 H2* U 367 H2* U 367 38.340 11.903 -29.288 991 2HO* U 367 2HO* U 367 40.711 12.224 -30.895 992 H1* U 367 H1* U 367 39.325 10.089 -31.184 993 H3 U 367 H3 U 367 35.427 8.078 -30.165 994 H5 U 367 H5 U 367 37.674 7.634 -26.659 995 H6 U 367 H6 U 367 39.393 9.039 -27.700 996 1H5* C 368 1H5* C 368 39.547 14.450 -29.457 997 2H5* C 368 2H5* C 368 39.299 16.080 -28.830 998 H4* C 368 H4* C 368 37.433 15.634 -30.177 999 H3* C 368 H3* C 368 36.750 15.284 -27.258 1000 H2* C 368 H2* C 368 34.488 14.988 -27.863 1001 2HO* C 368 2HO* C 368 33.940 16.246 -29.543 1002 H1* C 368 H1* C 368 35.216 13.382 -30.139 1003 1H4 C 368 1H4 C 368 32.792 9.248 -25.918 1004 2H4 C 368 2H4 C 368 34.299 9.289 -25.031 1005 H5 C 368 H5 C 368 36.098 10.726 -25.558 1006 H6 C 368 H6 C 368 36.900 12.496 -27.081 1007 1H5* C 369 1H5* C 369 35.055 18.514 -28.968 1008 2H5* C 369 2H5* C 369 34.713 20.118 -28.320 1009 H4* C 369 H4* C 369 32.589 19.356 -28.591 1010 H3* C 369 H3* C 369 33.393 18.466 -25.823 1011 H2* C 369 H2* C 369 31.198 17.633 -25.500 1012 2HO* C 369 2HO* C 369 29.665 18.730 -26.589 1013 H1* C 369 H1* C 369 31.136 16.436 -28.076 1014 1H4 C 369 1H4 C 369 32.518 11.432 -24.407 1015 2H4 C 369 2H4 C 369 33.968 12.217 -23.823 1016 H5 C 369 H5 C 369 34.621 14.401 -24.441 1017 H6 C 369 H6 C 369 34.039 16.388 -25.786 1018 1H5* C 370 1H5* C 370 30.358 21.208 -25.934 1019 2H5* C 370 2H5* C 370 29.819 22.289 -24.649 1020 H4* C 370 H4* C 370 28.107 20.700 -24.926 1021 H3* C 370 H3* C 370 29.788 20.091 -22.496 1022 H2* C 370 H2* C 370 28.236 18.395 -21.908 1023 2HO* C 370 2HO* C 370 26.241 19.056 -22.451 1024 H1* C 370 H1* C 370 28.115 17.431 -24.586 1025 1H4 C 370 1H4 C 370 31.971 13.258 -21.703 1026 2H4 C 370 2H4 C 370 33.223 14.474 -21.590 1027 H5 C 370 H5 C 370 32.940 16.721 -22.261 1028 H6 C 370 H6 C 370 31.370 18.370 -23.216 1029 1H5* A 371 1H5* A 371 25.765 21.953 -20.897 1030 2H5* A 371 2H5* A 371 26.058 22.395 -19.216 1031 H4* A 371 H4* A 371 24.205 20.766 -19.557 1032 H3* A 371 H3* A 371 26.529 20.136 -17.765 1033 H2* A 371 H2* A 371 25.502 18.082 -17.136 1034 2HO* A 371 2HO* A 371 23.313 17.881 -17.519 1035 H1* A 371 H1* A 371 25.013 17.306 -19.766 1036 H8 A 371 H8 A 371 28.256 19.036 -19.877 1037 1H6 A 371 1H6 A 371 30.905 13.767 -17.833 1038 2H6 A 371 2H6 A 371 31.230 15.348 -18.509 1039 H2 A 371 H2 A 371 26.500 13.361 -17.416 1040 1H5* G 372 1H5* G 372 22.891 19.279 -15.493 1041 2H5* G 372 2H5* G 372 23.057 20.171 -13.981 1042 H4* G 372 H4* G 372 22.423 17.956 -13.426 1043 H3* G 372 H3* G 372 25.278 18.619 -12.809 1044 H2* G 372 H2* G 372 25.640 16.452 -11.913 1045 2HO* G 372 2HO* G 372 22.816 16.169 -12.417 1046 H1* G 372 H1* G 372 24.417 15.170 -14.108 1047 H8 G 372 H8 G 372 26.492 17.940 -15.407 1048 H1 G 372 H1 G 372 29.976 12.707 -13.868 1049 1H2 G 372 1H2 G 372 28.804 11.389 -12.800 1050 2H2 G 372 2H2 G 372 27.127 11.661 -12.383 1051 1H5* G 373 1H5* G 373 23.547 16.784 -9.692 1052 2H5* G 373 2H5* G 373 23.562 17.604 -8.130 1053 H4* G 373 H4* G 373 24.240 15.381 -7.728 1054 H3* G 373 H3* G 373 26.496 17.353 -7.625 1055 H2* G 373 H2* G 373 28.025 15.627 -7.056 1056 2HO* G 373 2HO* G 373 27.103 13.554 -6.513 1057 H1* G 373 H1* G 373 27.238 13.935 -9.101 1058 H8 G 373 H8 G 373 26.895 17.356 -10.461 1059 H1 G 373 H1 G 373 33.029 15.294 -10.380 1060 1H2 G 373 1H2 G 373 33.161 13.569 -9.258 1061 2H2 G 373 2H2 G 373 31.811 12.796 -8.458 1062 1H5* G 374 1H5* G 374 26.376 14.821 -4.342 1063 2H5* G 374 2H5* G 374 26.709 15.520 -2.757 1064 H4* G 374 H4* G 374 28.153 13.666 -3.006 1065 H3* G 374 H3* G 374 29.506 16.322 -3.234 1066 H2* G 374 H2* G 374 31.620 15.285 -3.579 1067 2HO* G 374 2HO* G 374 30.982 13.574 -2.078 1068 H1* G 374 H1* G 374 30.615 13.569 -5.569 1069 H8 G 374 H8 G 374 29.096 16.931 -5.989 1070 H1 G 374 H1 G 374 35.064 16.516 -8.459 1071 1H2 G 374 1H2 G 374 35.943 14.754 -7.845 1072 2H2 G 374 2H2 G 374 35.177 13.567 -6.814 1073 1H5* U 375 1H5* U 375 31.815 14.464 -0.496 1074 2H5* U 375 2H5* U 375 32.168 15.392 0.962 1075 H4* U 375 H4* U 375 34.242 14.904 -0.062 1076 H3* U 375 H3* U 375 33.388 17.764 -0.416 1077 H2* U 375 H2* U 375 35.417 18.250 -1.525 1078 2HO* U 375 2HO* U 375 36.069 15.577 -0.673 1079 H1* U 375 H1* U 375 35.286 15.806 -3.027 1080 H3 U 375 H3 U 375 35.266 18.912 -6.319 1081 H5 U 375 H5 U 375 31.519 19.364 -4.502 1082 H6 U 375 H6 U 375 32.265 17.770 -2.794 1083 1H5* U 376 1H5* U 376 37.363 18.002 1.569 1084 2H5* U 376 2H5* U 376 37.412 19.539 2.434 1085 H4* U 376 H4* U 376 39.101 19.269 0.599 1086 H3* U 376 H3* U 376 37.196 21.602 0.648 1087 H2* U 376 H2* U 376 38.350 22.551 -1.193 1088 2HO* U 376 2HO* U 376 40.381 21.801 -0.235 1089 H1* U 376 H1* U 376 38.449 20.057 -2.562 1090 H3 U 376 H3 U 376 35.941 22.997 -5.058 1091 H5 U 376 H5 U 376 33.300 21.372 -2.244 1092 H6 U 376 H6 U 376 35.247 20.369 -1.142 1093 2H ALA 1 HN ALA 1 1.884 0.000 0.829 1094 HA ALA 1 HA ALA 1 1.354 -0.013 -2.065 1095 1HB ALA 1 1HB ALA 1 3.871 1.053 -1.794 1096 2HB ALA 1 2HB ALA 1 2.379 2.011 -1.955 1097 3HB ALA 1 3HB ALA 1 3.060 1.689 -0.343 1098 H THR 2 HN THR 2 3.924 -0.741 0.411 1099 HA THR 2 HA THR 2 5.321 -2.457 0.614 1100 HB THR 2 HB THR 2 3.081 -3.832 -0.954 1101 HG1 THR 2 HG1 THR 2 2.937 -2.819 1.329 1102 1HG2 THR 2 1HG2 THR 2 4.275 -5.770 0.601 1103 2HG2 THR 2 2HG2 THR 2 4.603 -5.567 -1.136 1104 3HG2 THR 2 3HG2 THR 2 5.702 -4.850 0.066 1105 H VAL 3 HN VAL 3 7.236 -3.069 -0.290 1106 HA VAL 3 HA VAL 3 8.842 -3.217 -1.800 1107 HB VAL 3 HB VAL 3 6.526 -3.720 -3.678 1108 1HG1 VAL 3 1HG1 VAL 3 8.933 -2.962 -4.572 1109 2HG1 VAL 3 2HG1 VAL 3 9.278 -4.688 -4.309 1110 3HG1 VAL 3 3HG1 VAL 3 7.954 -4.201 -5.395 1111 1HG2 VAL 3 1HG2 VAL 3 6.400 -5.632 -2.508 1112 2HG2 VAL 3 2HG2 VAL 3 7.911 -6.086 -3.330 1113 3HG2 VAL 3 3HG2 VAL 3 7.966 -5.352 -1.709 1114 H VAL 4 HN VAL 4 9.619 -1.102 -1.565 1115 HA VAL 4 HA VAL 4 8.914 0.642 -3.795 1116 HB VAL 4 HB VAL 4 7.518 1.448 -2.049 1117 1HG1 VAL 4 1HG1 VAL 4 9.242 0.318 -0.284 1118 2HG1 VAL 4 2HG1 VAL 4 9.675 2.034 -0.098 1119 3HG1 VAL 4 3HG1 VAL 4 7.996 1.506 0.165 1120 1HG2 VAL 4 1HG2 VAL 4 8.281 3.710 -1.814 1121 2HG2 VAL 4 2HG2 VAL 4 9.979 3.222 -2.031 1122 3HG2 VAL 4 3HG2 VAL 4 8.841 3.114 -3.395 1123 H SER 5 HN SER 5 11.046 -0.013 -0.944 1124 HA SER 5 HA SER 5 13.328 -0.029 -2.494 1125 1HB SER 5 2HB SER 5 14.392 2.109 -1.519 1126 2HB SER 5 3HB SER 5 13.241 2.318 -2.824 1127 HG SER 5 HG SER 5 11.825 2.331 -0.519 1128 H GLY 6 HN GLY 6 15.150 -0.719 -1.222 1129 1HA GLY 6 1HA GLY 6 15.449 -0.448 1.516 1130 2HA GLY 6 2HA GLY 6 14.485 -1.892 1.279 1131 H GLN 7 HN GLN 7 17.343 -1.514 2.232 1132 HA GLN 7 HA GLN 7 18.397 -3.677 0.759 1133 1HB GLN 7 2HB GLN 7 19.273 -0.919 0.094 1134 2HB GLN 7 3HB GLN 7 20.592 -2.021 0.437 1135 1HG GLN 7 2HG GLN 7 20.298 -3.137 -1.524 1136 2HG GLN 7 3HG GLN 7 18.577 -3.318 -1.251 1137 1HE2 GLN 7 1HE2 GLN 7 20.707 -2.193 -3.359 1138 2HE2 GLN 7 2HE2 GLN 7 19.865 -0.857 -4.072 1139 H LYS 8 HN LYS 8 19.472 -0.827 2.759 1140 HA LYS 8 HA LYS 8 20.603 -0.704 4.651 1141 1HB LYS 8 2HB LYS 8 18.929 -3.155 5.071 1142 2HB LYS 8 3HB LYS 8 20.141 -2.750 6.269 1143 1HG LYS 8 2HG LYS 8 18.895 -1.028 7.078 1144 2HG LYS 8 3HG LYS 8 18.663 -0.353 5.478 1145 1HD LYS 8 2HD LYS 8 17.006 -2.538 5.318 1146 2HD LYS 8 3HD LYS 8 16.900 -2.201 7.034 1147 1HE LYS 8 2HE LYS 8 16.710 0.341 5.785 1148 2HE LYS 8 3HE LYS 8 15.739 -0.721 4.786 1149 1HZ LYS 8 1HZ LYS 8 15.438 -0.164 7.638 1150 2HZ LYS 8 2HZ LYS 8 14.327 -0.022 6.449 1151 3HZ LYS 8 3HZ LYS 8 14.774 -1.501 6.977 1152 H GLN 9 HN GLN 9 22.578 -0.808 3.321 1153 HA GLN 9 HA GLN 9 23.967 -3.334 3.778 1154 1HB GLN 9 2HB GLN 9 23.501 -2.018 1.344 1155 2HB GLN 9 3HB GLN 9 25.155 -1.587 1.729 1156 1HG GLN 9 2HG GLN 9 25.875 -3.659 1.159 1157 2HG GLN 9 3HG GLN 9 24.796 -4.394 2.328 1158 1HE2 GLN 9 1HE2 GLN 9 24.802 -2.859 -0.878 1159 2HE2 GLN 9 2HE2 GLN 9 23.618 -3.883 -1.619 1160 H ASP 10 HN ASP 10 25.817 -3.271 5.017 1161 HA ASP 10 HA ASP 10 26.438 -0.806 6.250 1162 1HB ASP 10 2HB ASP 10 26.817 -3.557 6.792 1163 2HB ASP 10 3HB ASP 10 28.442 -2.934 6.583 1164 H ARG 11 HN ARG 11 28.563 0.295 6.126 1165 HA ARG 11 HA ARG 11 30.622 -0.577 4.536 1166 1HB ARG 11 2HB ARG 11 28.440 0.656 3.033 1167 2HB ARG 11 3HB ARG 11 29.878 1.648 2.898 1168 1HG ARG 11 2HG ARG 11 30.623 -1.152 2.633 1169 2HG ARG 11 3HG ARG 11 29.306 -0.800 1.531 1170 1HD ARG 11 2HD ARG 11 30.828 0.137 0.127 1171 2HD ARG 11 3HD ARG 11 31.019 1.436 1.288 1172 HE ARG 11 HE ARG 11 33.077 0.527 1.938 1173 1HH1 ARG 11 2HH2 ARG 11 31.245 -1.907 0.176 1174 2HH1 ARG 11 1HH2 ARG 11 32.557 -3.036 0.117 1175 1HH2 ARG 11 2HH1 ARG 11 34.808 -0.962 1.860 1176 2HH2 ARG 11 1HH1 ARG 11 34.598 -2.495 1.081 1177 H GLN 12 HN GLN 12 31.925 0.295 6.194 1178 HA GLN 12 HA GLN 12 31.941 3.198 6.270 1179 1HB GLN 12 2HB GLN 12 32.222 3.186 8.718 1180 2HB GLN 12 3HB GLN 12 30.704 2.432 8.271 1181 1HG GLN 12 2HG GLN 12 31.372 0.685 9.573 1182 2HG GLN 12 3HG GLN 12 32.431 0.258 8.244 1183 1HE2 GLN 12 1HE2 GLN 12 32.160 1.773 11.365 1184 2HE2 GLN 12 2HE2 GLN 12 33.846 1.868 11.750 1185 H GLY 13 HN GLY 13 34.072 3.932 7.542 1186 1HA GLY 13 1HA GLY 13 36.310 3.095 8.130 1187 2HA GLY 13 2HA GLY 13 36.260 2.144 6.659 1188 H GLY 14 HN GLY 14 36.541 5.420 8.027 1189 1HA GLY 14 1HA GLY 14 37.711 6.307 5.477 1190 2HA GLY 14 2HA GLY 14 36.425 7.246 6.208 1191 H GLU 15 HN GLU 15 39.541 5.638 7.185 1192 HA GLU 15 HA GLU 15 39.981 7.932 8.924 1193 1HB GLU 15 2HB GLU 15 40.134 5.202 9.469 1194 2HB GLU 15 3HB GLU 15 41.815 5.632 9.221 1195 1HG GLU 15 2HG GLU 15 41.812 7.217 10.993 1196 2HG GLU 15 3HG GLU 15 40.067 7.383 10.975 1197 H ARG 16 HN ARG 16 41.188 9.490 7.922 1198 HA ARG 16 HA ARG 16 43.670 8.627 6.768 1199 1HB ARG 16 2HB ARG 16 41.421 9.902 5.213 1200 2HB ARG 16 3HB ARG 16 43.050 10.424 4.835 1201 1HG ARG 16 2HG ARG 16 42.200 7.492 4.910 1202 2HG ARG 16 3HG ARG 16 42.204 8.458 3.448 1203 1HD ARG 16 2HD ARG 16 44.760 8.699 4.881 1204 2HD ARG 16 3HD ARG 16 44.390 7.024 4.526 1205 HE ARG 16 HE ARG 16 44.491 7.487 2.194 1206 1HH1 ARG 16 2HH2 ARG 16 44.838 10.428 4.095 1207 2HH1 ARG 16 1HH2 ARG 16 45.400 11.377 2.760 1208 1HH2 ARG 16 2HH1 ARG 16 45.232 8.739 0.432 1209 2HH2 ARG 16 1HH1 ARG 16 45.625 10.410 0.662 1210 H ARG 17 HN ARG 17 45.289 10.327 6.794 1211 HA ARG 17 HA ARG 17 44.349 12.761 8.085 1212 1HB ARG 17 2HB ARG 17 46.765 11.024 8.715 1213 2HB ARG 17 3HB ARG 17 46.781 12.727 9.126 1214 1HG ARG 17 2HG ARG 17 45.817 12.000 11.080 1215 2HG ARG 17 3HG ARG 17 44.338 12.060 10.142 1216 1HD ARG 17 2HD ARG 17 44.115 9.782 10.129 1217 2HD ARG 17 3HD ARG 17 45.805 9.527 9.742 1218 HE ARG 17 HE ARG 17 45.656 10.433 12.444 1219 1HH1 ARG 17 2HH2 ARG 17 44.775 7.626 10.514 1220 2HH1 ARG 17 1HH2 ARG 17 44.908 6.516 11.837 1221 1HH2 ARG 17 2HH1 ARG 17 45.831 8.969 14.190 1222 2HH2 ARG 17 1HH1 ARG 17 45.512 7.285 13.942 1223 H ARG 18 HN ARG 18 46.054 14.619 7.814 1224 HA ARG 18 HA ARG 18 47.175 14.351 5.140 1225 1HB ARG 18 2HB ARG 18 46.097 16.818 6.593 1226 2HB ARG 18 3HB ARG 18 46.929 16.895 5.052 1227 1HG ARG 18 2HG ARG 18 45.068 16.255 3.915 1228 2HG ARG 18 3HG ARG 18 44.825 14.867 4.957 1229 1HD ARG 18 2HD ARG 18 43.840 16.479 6.702 1230 2HD ARG 18 3HD ARG 18 43.894 17.729 5.475 1231 HE ARG 18 HE ARG 18 42.132 16.664 4.306 1232 1HH1 ARG 18 2HH2 ARG 18 43.271 14.631 6.943 1233 2HH1 ARG 18 1HH2 ARG 18 41.933 13.535 6.846 1234 1HH2 ARG 18 2HH1 ARG 18 40.367 15.219 4.177 1235 2HH2 ARG 18 1HH1 ARG 18 40.270 13.872 5.262 1236 H SER 19 HN SER 19 49.052 13.381 6.498 1237 HA SER 19 HA SER 19 51.022 13.523 7.400 1238 1HB SER 19 2HB SER 19 50.834 16.046 5.799 1239 2HB SER 19 3HB SER 19 52.164 15.955 6.936 1240 HG SER 19 HG SER 19 51.792 13.620 5.409 1241 H GLN 20 HN GLN 20 48.809 14.132 9.136 1242 HA GLN 20 HA GLN 20 48.332 14.945 11.092 1243 1HB GLN 20 2HB GLN 20 51.132 14.372 11.163 1244 2HB GLN 20 3HB GLN 20 50.910 15.864 12.056 1245 1HG GLN 20 2HG GLN 20 49.742 14.838 13.748 1246 2HG GLN 20 3HG GLN 20 48.852 13.804 12.649 1247 1HE2 GLN 20 1HE2 GLN 20 51.481 14.102 14.789 1248 2HE2 GLN 20 2HE2 GLN 20 52.179 12.527 14.610 1249 H LEU 21 HN LEU 21 48.154 16.762 8.858 1250 HA LEU 21 HA LEU 21 49.296 19.200 9.102 1251 1HB LEU 21 2HB LEU 21 47.248 18.073 7.657 1252 2HB LEU 21 3HB LEU 21 46.414 19.312 8.574 1253 HG LEU 21 HG LEU 21 48.815 19.774 6.781 1254 1HD1 LEU 21 1HD1 LEU 21 46.291 19.226 5.940 1255 2HD1 LEU 21 2HD1 LEU 21 46.216 20.997 6.105 1256 3HD1 LEU 21 3HD1 LEU 21 47.450 20.252 5.061 1257 1HD2 LEU 21 1HD2 LEU 21 47.803 22.225 7.127 1258 2HD2 LEU 21 2HD2 LEU 21 47.344 21.514 8.692 1259 3HD2 LEU 21 3HD2 LEU 21 49.052 21.534 8.191 1260 H ASP 22 HN ASP 22 48.950 21.118 10.280 1261 HA ASP 22 HA ASP 22 47.329 20.690 12.667 1262 1HB ASP 22 2HB ASP 22 50.067 21.239 12.487 1263 2HB ASP 22 3HB ASP 22 49.382 22.825 12.780 1264 H ARG 23 HN ARG 23 46.254 22.710 13.510 1265 HA ARG 23 HA ARG 23 45.151 24.187 11.425 1266 1HB ARG 23 2HB ARG 23 44.391 23.642 13.979 1267 2HB ARG 23 3HB ARG 23 45.039 25.248 14.244 1268 1HG ARG 23 2HG ARG 23 42.595 25.294 13.712 1269 2HG ARG 23 3HG ARG 23 43.541 26.203 12.550 1270 1HD ARG 23 2HD ARG 23 42.882 24.857 10.835 1271 2HD ARG 23 3HD ARG 23 43.338 23.408 11.709 1272 HE ARG 23 HE ARG 23 41.023 24.063 12.986 1273 1HH1 ARG 23 2HH2 ARG 23 41.799 23.893 9.558 1274 2HH1 ARG 23 1HH2 ARG 23 40.185 23.480 9.082 1275 1HH2 ARG 23 2HH1 ARG 23 38.894 23.519 12.359 1276 2HH2 ARG 23 1HH1 ARG 23 38.521 23.266 10.687 1277 H ASP 24 HN ASP 24 48.214 24.378 12.765 1278 HA ASP 24 HA ASP 24 48.383 27.187 12.034 1279 1HB ASP 24 2HB ASP 24 48.526 26.496 14.621 1280 2HB ASP 24 3HB ASP 24 50.167 26.054 14.195 1281 H GLN 25 HN GLN 25 48.904 24.611 10.580 1282 HA GLN 25 HA GLN 25 51.793 24.899 10.282 1283 1HB GLN 25 2HB GLN 25 50.392 22.588 11.024 1284 2HB GLN 25 3HB GLN 25 50.680 22.349 9.312 1285 1HG GLN 25 2HG GLN 25 53.148 23.189 9.944 1286 2HG GLN 25 3HG GLN 25 52.685 22.660 11.549 1287 1HE2 GLN 25 1HE2 GLN 25 52.739 20.579 12.056 1288 2HE2 GLN 25 2HE2 GLN 25 53.042 19.266 10.968 1289 H CYS 26 HN CYS 26 52.520 24.099 7.973 1290 HA CYS 26 HA CYS 26 50.652 25.328 6.095 1291 1HB CYS 26 2HB CYS 26 52.839 26.414 6.229 1292 2HB CYS 26 3HB CYS 26 53.651 24.898 5.891 1293 H ALA 27 HN ALA 27 49.787 24.087 4.421 1294 HA ALA 27 HA ALA 27 50.465 21.253 4.481 1295 1HB ALA 27 1HB ALA 27 48.087 22.105 4.682 1296 2HB ALA 27 2HB ALA 27 48.222 22.676 3.001 1297 3HB ALA 27 3HB ALA 27 48.354 20.939 3.364 1298 H TYR 28 HN TYR 28 52.365 23.231 3.388 1299 HA TYR 28 HA TYR 28 52.405 22.212 0.635 1300 1HB TYR 28 2HB TYR 28 51.660 24.704 1.035 1301 2HB TYR 28 3HB TYR 28 53.281 24.987 1.636 1302 HD1 TYR 28 HD1 TYR 28 51.195 24.856 -1.267 1303 HD2 TYR 28 HD2 TYR 28 55.253 24.480 0.035 1304 HE1 TYR 28 HE1 TYR 28 52.003 25.296 -3.637 1305 HE2 TYR 28 HE2 TYR 28 56.048 24.922 -2.340 1306 HH TYR 28 HH TYR 28 54.052 24.717 -4.975 1307 H CYS 29 HN CYS 29 54.365 24.053 3.090 1308 HA CYS 29 HA CYS 29 56.675 22.524 2.176 1309 1HB CYS 29 2HB CYS 29 58.025 24.239 3.331 1310 2HB CYS 29 3HB CYS 29 56.989 24.926 2.096 1311 H LYS 30 HN LYS 30 54.226 22.640 4.564 1312 HA LYS 30 HA LYS 30 53.889 21.428 6.387 1313 1HB LYS 30 2HB LYS 30 56.248 20.098 5.238 1314 2HB LYS 30 3HB LYS 30 56.115 19.910 6.974 1315 1HG LYS 30 2HG LYS 30 54.777 18.134 6.280 1316 2HG LYS 30 3HG LYS 30 53.559 19.385 6.430 1317 1HD LYS 30 2HD LYS 30 54.596 19.715 3.815 1318 2HD LYS 30 3HD LYS 30 54.486 17.979 4.027 1319 1HE LYS 30 2HE LYS 30 52.171 19.825 4.748 1320 2HE LYS 30 3HE LYS 30 52.381 19.206 3.122 1321 1HZ LYS 30 1HZ LYS 30 51.611 17.809 5.510 1322 2HZ LYS 30 2HZ LYS 30 51.188 17.531 3.958 1323 3HZ LYS 30 3HZ LYS 30 52.620 16.988 4.523 1324 H GLU 31 HN GLU 31 55.303 24.111 6.194 1325 HA GLU 31 HA GLU 31 56.945 24.042 8.554 1326 1HB GLU 31 2HB GLU 31 56.192 26.254 6.602 1327 2HB GLU 31 3HB GLU 31 57.151 26.551 8.038 1328 1HG GLU 31 2HG GLU 31 58.896 25.012 7.280 1329 2HG GLU 31 3HG GLU 31 57.903 24.459 5.947 1330 H LYS 32 HN LYS 32 56.421 25.031 10.554 1331 HA LYS 32 HA LYS 32 53.563 25.499 10.887 1332 1HB LYS 32 2HB LYS 32 53.943 25.113 13.229 1333 2HB LYS 32 3HB LYS 32 54.698 23.823 12.315 1334 1HG LYS 32 2HG LYS 32 56.763 25.673 12.472 1335 2HG LYS 32 3HG LYS 32 55.949 25.928 14.003 1336 1HD LYS 32 2HD LYS 32 56.524 23.848 14.818 1337 2HD LYS 32 3HD LYS 32 56.326 23.064 13.264 1338 1HE LYS 32 2HE LYS 32 58.591 24.985 13.340 1339 2HE LYS 32 3HE LYS 32 58.767 23.651 14.463 1340 1HZ LYS 32 1HZ LYS 32 58.491 22.125 12.692 1341 2HZ LYS 32 2HZ LYS 32 58.103 23.298 11.625 1342 3HZ LYS 32 3HZ LYS 32 59.620 23.207 12.222 1343 H GLY 33 HN GLY 33 52.719 27.503 11.163 1344 1HA GLY 33 1HA GLY 33 53.333 29.608 12.522 1345 2HA GLY 33 2HA GLY 33 54.632 29.731 11.351 1346 H HIS 34 HN HIS 34 53.429 28.899 8.958 1347 HA HIS 34 HA HIS 34 51.309 30.904 8.675 1348 1HB HIS 34 2HB HIS 34 52.111 31.334 6.436 1349 2HB HIS 34 3HB HIS 34 53.404 31.574 7.595 1350 HD1 HIS 34 HD1 HIS 34 55.378 29.823 7.594 1351 HD2 HIS 34 HD2 HIS 34 52.518 29.264 4.576 1352 HE1 HIS 34 HE1 HIS 34 56.415 28.203 5.917 1353 H TRP 35 HN TRP 35 50.079 30.374 6.413 1354 HA TRP 35 HA TRP 35 49.303 27.552 6.673 1355 1HB TRP 35 2HB TRP 35 47.787 30.068 6.176 1356 2HB TRP 35 3HB TRP 35 47.229 28.609 5.381 1357 HD1 TRP 35 HD1 TRP 35 48.452 29.183 9.064 1358 HE1 TRP 35 HE1 TRP 35 46.708 28.184 10.774 1359 HE3 TRP 35 HE3 TRP 35 45.123 27.612 5.556 1360 HZ2 TRP 35 HZ2 TRP 35 44.188 26.878 10.474 1361 HZ3 TRP 35 HZ3 TRP 35 43.046 26.484 6.349 1362 HH2 TRP 35 HH2 TRP 35 42.554 26.109 8.714 1363 H ALA 36 HN ALA 36 48.488 26.607 4.506 1364 HA ALA 36 HA ALA 36 50.547 26.723 2.642 1365 1HB ALA 36 1HB ALA 36 47.696 25.686 2.574 1366 2HB ALA 36 2HB ALA 36 48.815 25.487 1.204 1367 3HB ALA 36 3HB ALA 36 49.203 24.763 2.782 1368 H LYS 37 HN LYS 37 47.391 28.434 2.858 1369 HA LYS 37 HA LYS 37 47.620 29.587 0.275 1370 1HB LYS 37 2HB LYS 37 45.920 30.555 2.586 1371 2HB LYS 37 3HB LYS 37 45.658 30.825 0.874 1372 1HG LYS 37 2HG LYS 37 45.668 28.063 2.181 1373 2HG LYS 37 3HG LYS 37 44.215 28.991 1.868 1374 1HD LYS 37 2HD LYS 37 44.747 29.016 -0.573 1375 2HD LYS 37 3HD LYS 37 46.214 28.107 -0.268 1376 1HE LYS 37 2HE LYS 37 43.989 26.729 0.990 1377 2HE LYS 37 3HE LYS 37 43.561 27.086 -0.672 1378 1HZ LYS 37 1HZ LYS 37 45.899 25.602 0.282 1379 2HZ LYS 37 2HZ LYS 37 44.705 25.075 -0.699 1380 3HZ LYS 37 3HZ LYS 37 45.794 26.159 -1.250 1381 H ASP 38 HN ASP 38 49.510 29.960 2.992 1382 HA ASP 38 HA ASP 38 50.121 32.691 2.185 1383 1HB ASP 38 2HB ASP 38 49.043 32.053 4.624 1384 2HB ASP 38 3HB ASP 38 50.744 31.851 4.993 1385 H CYS 39 HN CYS 39 51.139 29.812 1.586 1386 HA CYS 39 HA CYS 39 53.588 29.492 2.918 1387 1HB CYS 39 2HB CYS 39 52.302 27.683 1.734 1388 2HB CYS 39 3HB CYS 39 52.799 28.382 0.206 1389 HA PRO 40 HA PRO 40 55.814 32.507 0.658 1390 1HB PRO 40 2HB PRO 40 58.320 31.978 1.611 1391 2HB PRO 40 3HB PRO 40 57.161 32.974 2.466 1392 1HG PRO 40 2HG PRO 40 57.998 30.198 3.040 1393 2HG PRO 40 3HG PRO 40 57.189 31.340 4.094 1394 1HD PRO 40 2HD PRO 40 55.993 29.118 2.730 1395 2HD PRO 40 3HD PRO 40 55.164 30.327 3.690 1396 H LYS 41 HN LYS 41 55.712 29.334 0.023 1397 HA LYS 41 HA LYS 41 57.865 29.423 -1.929 1398 1HB LYS 41 2HB LYS 41 56.253 27.298 -0.601 1399 2HB LYS 41 3HB LYS 41 56.797 26.972 -2.235 1400 1HG LYS 41 2HG LYS 41 58.950 26.676 -1.560 1401 2HG LYS 41 3HG LYS 41 58.952 28.180 -0.660 1402 1HD LYS 41 2HD LYS 41 58.847 27.014 1.279 1403 2HD LYS 41 3HD LYS 41 57.284 26.376 0.807 1404 1HE LYS 41 2HE LYS 41 58.150 24.336 0.210 1405 2HE LYS 41 3HE LYS 41 59.554 25.044 -0.565 1406 1HZ LYS 41 1HZ LYS 41 59.753 23.747 1.658 1407 2HZ LYS 41 2HZ LYS 41 60.704 25.043 1.367 1408 3HZ LYS 41 3HZ LYS 41 59.390 25.193 2.326 1409 H LYS 42 HN LYS 42 54.415 29.894 -1.624 1410 HA LYS 42 HA LYS 42 53.497 29.124 -4.085 1411 1HB LYS 42 2HB LYS 42 52.644 30.844 -1.916 1412 2HB LYS 42 3HB LYS 42 52.193 31.544 -3.457 1413 1HG LYS 42 2HG LYS 42 51.501 28.951 -3.944 1414 2HG LYS 42 3HG LYS 42 51.299 28.969 -2.204 1415 1HD LYS 42 2HD LYS 42 50.131 31.396 -3.199 1416 2HD LYS 42 3HD LYS 42 49.570 30.102 -4.239 1417 1HE LYS 42 2HE LYS 42 49.414 29.053 -1.599 1418 2HE LYS 42 3HE LYS 42 48.822 30.697 -1.473 1419 1HZ LYS 42 1HZ LYS 42 47.220 28.861 -2.152 1420 2HZ LYS 42 2HZ LYS 42 47.153 30.272 -2.971 1421 3HZ LYS 42 3HZ LYS 42 47.889 28.976 -3.637 1422 HA PRO 43 HA PRO 43 55.993 31.789 -6.537 1423 1HB PRO 43 2HB PRO 43 55.685 30.425 -8.885 1424 2HB PRO 43 3HB PRO 43 56.938 30.053 -7.719 1425 1HG PRO 43 2HG PRO 43 54.440 28.579 -8.287 1426 2HG PRO 43 3HG PRO 43 55.879 28.021 -7.458 1427 1HD PRO 43 2HD PRO 43 53.394 28.793 -6.251 1428 2HD PRO 43 3HD PRO 43 54.870 28.346 -5.418 1429 H ARG 44 HN ARG 44 55.741 33.242 -8.402 1430 HA ARG 44 HA ARG 44 53.334 33.422 -9.684 1431 1HB ARG 44 2HB ARG 44 52.877 34.137 -7.078 1432 2HB ARG 44 3HB ARG 44 53.350 35.696 -7.724 1433 1HG ARG 44 2HG ARG 44 51.629 34.864 -9.697 1434 2HG ARG 44 3HG ARG 44 50.921 34.054 -8.313 1435 1HD ARG 44 2HD ARG 44 49.935 36.017 -7.734 1436 2HD ARG 44 3HD ARG 44 51.524 36.670 -7.387 1437 HE ARG 44 HE ARG 44 51.153 36.817 -10.203 1438 1HH1 ARG 44 2HH2 ARG 44 49.784 38.217 -7.279 1439 2HH1 ARG 44 1HH2 ARG 44 49.310 39.692 -8.054 1440 1HH2 ARG 44 2HH1 ARG 44 50.529 38.763 -11.226 1441 2HH2 ARG 44 1HH1 ARG 44 49.737 40.005 -10.314 1442 H GLY 45 HN GLY 45 53.338 35.234 -11.198 1443 1HA GLY 45 1HA GLY 45 55.864 36.159 -11.945 1444 2HA GLY 45 2HA GLY 45 54.322 36.767 -12.511 1445 HA PRO 46 HA PRO 46 55.843 38.081 -13.310 1446 1HB PRO 46 2HB PRO 46 57.913 39.825 -13.689 1447 2HB PRO 46 3HB PRO 46 56.234 40.262 -13.936 1448 1HG PRO 46 2HG PRO 46 58.026 40.981 -11.698 1449 2HG PRO 46 3HG PRO 46 56.518 41.732 -12.181 1450 1HD PRO 46 2HD PRO 46 56.916 39.950 -9.969 1451 2HD PRO 46 3HD PRO 46 55.390 40.608 -10.522 1452 H ARG 47 HN ARG 47 58.138 37.780 -14.578 1453 HA ARG 47 HA ARG 47 59.149 35.533 -13.204 1454 1HB ARG 47 2HB ARG 47 60.573 35.242 -15.201 1455 2HB ARG 47 3HB ARG 47 58.938 35.634 -15.696 1456 1HG ARG 47 2HG ARG 47 60.593 38.047 -15.279 1457 2HG ARG 47 3HG ARG 47 61.269 36.977 -16.491 1458 1HD ARG 47 2HD ARG 47 59.706 37.638 -17.999 1459 2HD ARG 47 3HD ARG 47 58.415 37.119 -16.933 1460 HE ARG 47 HE ARG 47 59.165 39.512 -15.803 1461 1HH1 ARG 47 2HH2 ARG 47 58.342 38.588 -19.097 1462 2HH1 ARG 47 1HH2 ARG 47 57.722 40.150 -19.516 1463 1HH2 ARG 47 2HH1 ARG 47 58.347 41.573 -16.355 1464 2HH2 ARG 47 1HH1 ARG 47 57.725 41.859 -17.946 1465 H GLY 48 HN GLY 48 61.621 35.216 -12.925 1466 1HA GLY 48 1HA GLY 48 62.651 37.441 -11.403 1467 2HA GLY 48 2HA GLY 48 63.355 35.848 -11.590 1468 HA PRO 49 HA PRO 49 66.164 37.785 -14.299 1469 1HB PRO 49 2HB PRO 49 67.598 35.583 -15.050 1470 2HB PRO 49 3HB PRO 49 67.896 36.459 -13.562 1471 1HG PRO 49 2HG PRO 49 66.561 33.849 -13.941 1472 2HG PRO 49 3HG PRO 49 67.240 34.532 -12.477 1473 1HD PRO 49 2HD PRO 49 64.461 34.374 -13.169 1474 2HD PRO 49 3HD PRO 49 65.148 35.160 -11.761 1475 H ARG 50 HN ARG 50 67.137 37.509 -16.603 1476 HA ARG 50 HA ARG 50 65.105 36.267 -18.239 1477 1HB ARG 50 2HB ARG 50 65.252 39.078 -17.851 1478 2HB ARG 50 3HB ARG 50 65.991 38.810 -19.417 1479 1HG ARG 50 2HG ARG 50 63.918 37.297 -19.927 1480 2HG ARG 50 3HG ARG 50 63.187 38.043 -18.519 1481 1HD ARG 50 2HD ARG 50 64.414 39.781 -20.688 1482 2HD ARG 50 3HD ARG 50 62.803 39.123 -20.900 1483 HE ARG 50 HE ARG 50 62.001 40.509 -19.153 1484 1HH1 ARG 50 2HH2 ARG 50 65.507 40.695 -19.378 1485 2HH1 ARG 50 1HH2 ARG 50 65.628 42.076 -18.340 1486 1HH2 ARG 50 2HH1 ARG 50 62.160 42.331 -17.783 1487 2HH2 ARG 50 1HH1 ARG 50 63.711 43.013 -17.427 1488 HA PRO 51 HA PRO 51 68.826 35.126 -20.260 1489 1HB PRO 51 2HB PRO 51 67.750 33.617 -22.268 1490 2HB PRO 51 3HB PRO 51 68.047 32.996 -20.656 1491 1HG PRO 51 2HG PRO 51 65.478 33.759 -21.903 1492 2HG PRO 51 3HG PRO 51 65.759 32.760 -20.491 1493 1HD PRO 51 2HD PRO 51 64.874 35.489 -20.515 1494 2HD PRO 51 3HD PRO 51 65.266 34.526 -19.104 1495 H GLN 52 HN GLN 52 69.934 35.167 -22.440 1496 HA GLN 52 HA GLN 52 68.797 36.633 -24.468 1497 1HB GLN 52 2HB GLN 52 69.099 38.396 -22.487 1498 2HB GLN 52 3HB GLN 52 70.761 38.425 -23.041 1499 1HG GLN 52 2HG GLN 52 69.845 38.830 -25.413 1500 2HG GLN 52 3HG GLN 52 68.268 39.057 -24.681 1501 1HE2 GLN 52 1HE2 GLN 52 71.258 40.440 -25.458 1502 2HE2 GLN 52 2HE2 GLN 52 71.082 41.980 -24.683 1503 H THR 53 HN THR 53 70.027 36.205 -26.271 1504 HA THR 53 HA THR 53 72.880 35.636 -25.822 1505 HB THR 53 HB THR 53 72.601 33.743 -27.446 1506 HG1 THR 53 HG1 THR 53 70.529 33.477 -28.329 1507 1HG2 THR 53 1HG2 THR 53 71.293 32.217 -26.047 1508 2HG2 THR 53 2HG2 THR 53 72.193 33.301 -24.960 1509 3HG2 THR 53 3HG2 THR 53 70.462 33.581 -25.262 1510 H SER 54 HN SER 54 74.102 35.620 -28.002 1511 HA SER 54 HA SER 54 72.927 37.287 -29.984 1512 1HB SER 54 2HB SER 54 74.863 38.989 -29.797 1513 2HB SER 54 3HB SER 54 73.562 39.124 -28.631 1514 HG SER 54 HG SER 54 74.967 38.784 -27.061 1515 H LEU 55 HN LEU 55 73.527 36.089 -31.758 1516 HA LEU 55 HA LEU 55 74.750 34.919 -33.174 1517 1HB LEU 55 2HB LEU 55 76.012 37.141 -33.018 1518 2HB LEU 55 3HB LEU 55 77.193 36.277 -32.055 1519 HG LEU 55 HG LEU 55 76.475 35.047 -34.666 1520 1HD1 LEU 55 1HD1 LEU 55 76.568 37.484 -35.172 1521 2HD1 LEU 55 2HD1 LEU 55 78.237 37.508 -34.556 1522 3HD1 LEU 55 3HD1 LEU 55 77.830 36.528 -35.985 1523 1HD2 LEU 55 1HD2 LEU 55 78.106 33.883 -33.461 1524 2HD2 LEU 55 2HD2 LEU 55 79.029 34.802 -34.675 1525 3HD2 LEU 55 3HD2 LEU 55 78.959 35.372 -32.990 1526 H LEU 56 HN LEU 56 74.768 32.762 -32.842 1527 HA LEU 56 HA LEU 56 76.918 31.578 -31.447 1528 1HB LEU 56 2HB LEU 56 74.533 32.187 -29.918 1529 2HB LEU 56 3HB LEU 56 74.817 30.459 -29.980 1530 HG LEU 56 HG LEU 56 76.853 32.517 -29.081 1531 1HD1 LEU 56 1HD1 LEU 56 75.137 30.640 -27.431 1532 2HD1 LEU 56 2HD1 LEU 56 76.432 31.693 -26.813 1533 3HD1 LEU 56 3HD1 LEU 56 74.971 32.409 -27.532 1534 1HD2 LEU 56 1HD2 LEU 56 77.724 30.170 -28.071 1535 2HD2 LEU 56 2HD2 LEU 56 76.982 29.602 -29.585 1536 3HD2 LEU 56 3HD2 LEU 56 78.259 30.842 -29.630 Start of MODEL 2 1 1H5* G 276 1H5* G 276 62.595 6.978 -22.128 2 2H5* G 276 2H5* G 276 64.076 7.866 -22.484 3 H4* G 276 H4* G 276 62.073 9.243 -22.776 4 H3* G 276 H3* G 276 64.116 10.033 -20.732 5 H2* G 276 H2* G 276 62.878 11.990 -20.194 6 2HO* G 276 2HO* G 276 62.209 11.691 -22.664 7 H1* G 276 H1* G 276 60.467 10.620 -19.897 8 H8 G 276 H8 G 276 63.018 8.335 -18.561 9 H1 G 276 H1 G 276 61.662 13.170 -14.478 10 1H2 G 276 1H2 G 276 60.559 14.611 -15.457 11 2H2 G 276 2H2 G 276 60.074 14.522 -17.136 12 1H5* G 277 1H5* G 277 63.090 13.635 -22.142 13 2H5* G 277 2H5* G 277 64.519 14.366 -22.873 14 H4* G 277 H4* G 277 63.723 15.967 -21.368 15 H3* G 277 H3* G 277 66.037 14.454 -20.158 16 H2* G 277 H2* G 277 66.003 15.949 -18.324 17 2HO* G 277 2HO* G 277 63.874 17.466 -19.337 18 H1* G 277 H1* G 277 63.155 15.861 -18.159 19 H8 G 277 H8 G 277 64.566 12.448 -18.511 20 H1 G 277 H1 G 277 64.810 14.678 -12.440 21 1H2 G 277 1H2 G 277 64.361 16.690 -12.427 22 2H2 G 277 2H2 G 277 63.975 17.633 -13.849 23 1H5* C 278 1H5* C 278 66.941 18.528 -20.490 24 2H5* C 278 2H5* C 278 68.632 18.993 -20.678 25 H4* C 278 H4* C 278 67.758 19.961 -18.662 26 H3* C 278 H3* C 278 69.790 17.778 -18.283 27 H2* C 278 H2* C 278 69.760 18.154 -15.939 28 2HO* C 278 2HO* C 278 68.045 20.339 -16.706 29 H1* C 278 H1* C 278 66.943 18.198 -15.827 30 1H4 C 278 1H4 C 278 68.610 12.262 -14.134 31 2H4 C 278 2H4 C 278 68.650 11.818 -15.826 32 H5 C 278 H5 C 278 68.369 13.356 -17.596 33 H6 C 278 H6 C 278 67.979 15.721 -18.185 34 1H5* G 279 1H5* G 279 71.540 21.511 -16.650 35 2H5* G 279 2H5* G 279 73.301 21.482 -16.741 36 H4* G 279 H4* G 279 72.529 21.725 -14.444 37 H3* G 279 H3* G 279 73.991 19.178 -15.131 38 H2* G 279 H2* G 279 74.026 18.631 -12.817 39 2HO* G 279 2HO* G 279 72.854 21.252 -12.561 40 H1* G 279 H1* G 279 71.287 19.283 -12.503 41 H8 G 279 H8 G 279 71.595 17.387 -15.637 42 H1 G 279 H1 G 279 71.863 13.573 -10.416 43 1H2 G 279 1H2 G 279 72.105 14.732 -8.728 44 2H2 G 279 2H2 G 279 72.218 16.477 -8.727 45 1H5* G 280 1H5* G 280 77.104 21.101 -11.998 46 2H5* G 280 2H5* G 280 78.520 20.420 -12.797 47 H4* G 280 H4* G 280 78.238 19.821 -10.375 48 H3* G 280 H3* G 280 78.567 17.731 -12.511 49 H2* G 280 H2* G 280 78.616 16.038 -10.850 50 2HO* G 280 2HO* G 280 78.302 17.317 -8.569 51 H1* G 280 H1* G 280 76.366 16.991 -9.507 52 H8 G 280 H8 G 280 75.643 17.544 -13.068 53 H1 G 280 H1 G 280 74.982 11.337 -11.357 54 1H2 G 280 1H2 G 280 75.799 11.048 -9.487 55 2H2 G 280 2H2 G 280 76.552 12.300 -8.524 56 1H5* U 281 1H5* U 281 80.817 16.464 -9.792 57 2H5* U 281 2H5* U 281 82.544 16.468 -10.143 58 H4* U 281 H4* U 281 82.201 14.335 -9.336 59 H3* U 281 H3* U 281 82.032 14.221 -12.346 60 H2* U 281 H2* U 281 81.881 11.862 -12.203 61 2HO* U 281 2HO* U 281 82.384 12.339 -9.407 62 H1* U 281 H1* U 281 80.018 11.974 -10.061 63 H3 U 281 H3 U 281 77.722 10.081 -13.511 64 H5 U 281 H5 U 281 77.808 14.167 -14.427 65 H6 U 281 H6 U 281 79.355 14.455 -12.545 66 2HO* AP7 282 2HO* A 282 84.992 7.978 -12.356 67 H2* AP7 282 H2* A 282 83.979 8.523 -14.998 68 H3* AP7 282 H3* A 282 85.117 10.583 -14.711 69 H4* AP7 282 H4* A 282 85.748 9.784 -11.872 70 H1* AP7 282 H1* A 282 82.630 8.752 -12.523 71 H8 AP7 282 H8 A 282 82.795 11.952 -14.489 72 H2 AP7 282 H2 A 282 78.967 6.790 -14.708 73 H1 AP7 282 H1 A 282 77.788 8.167 -16.055 74 1H6 AP7 282 1H6 A 282 77.434 10.175 -17.145 75 2H6 AP7 282 2H6 A 282 78.569 11.496 -16.990 76 2H5* AP7 282 2H5* A 282 86.770 11.833 -12.860 77 1H5* AP7 282 1H5* A 282 85.835 12.105 -11.389 78 1H5* C 283 1H5* C 283 87.235 6.984 -14.875 79 2H5* C 283 2H5* C 283 88.058 6.574 -16.379 80 H4* C 283 H4* C 283 86.170 5.109 -16.034 81 H3* C 283 H3* C 283 85.939 7.042 -18.332 82 H2* C 283 H2* C 283 83.920 5.982 -18.991 83 2HO* C 283 2HO* C 283 83.781 4.127 -16.969 84 H1* C 283 H1* C 283 82.870 5.963 -16.386 85 1H4 C 283 1H4 C 283 80.415 11.182 -19.145 86 2H4 C 283 2H4 C 283 81.844 12.074 -18.673 87 H5 C 283 H5 C 283 83.736 11.087 -17.661 88 H6 C 283 H6 C 283 84.733 8.980 -16.844 89 1H5* U 284 1H5* U 284 84.881 3.605 -19.768 90 2H5* U 284 2H5* U 284 85.998 2.924 -20.951 91 H4* U 284 H4* U 284 83.947 2.581 -21.946 92 H3* U 284 H3* U 284 85.143 5.118 -23.021 93 H2* U 284 H2* U 284 83.283 5.395 -24.470 94 2HO* U 284 2HO* U 284 82.202 2.967 -23.423 95 H1* U 284 H1* U 284 81.389 4.964 -22.480 96 H3 U 284 H3 U 284 81.127 9.436 -23.161 97 H5 U 284 H5 U 284 84.646 8.964 -20.940 98 H6 U 284 H6 U 284 84.365 6.541 -21.194 99 1H5* A 285 1H5* A 285 83.950 2.841 -26.768 100 2H5* A 285 2H5* A 285 85.206 3.346 -27.898 101 H4* A 285 H4* A 285 82.834 3.880 -28.558 102 H3* A 285 H3* A 285 84.974 5.998 -28.447 103 H2* A 285 H2* A 285 83.449 7.548 -29.399 104 2HO* A 285 2HO* A 285 81.574 6.702 -30.382 105 H1* A 285 H1* A 285 81.361 6.815 -27.660 106 H8 A 285 H8 A 285 84.525 6.911 -25.733 107 1H6 A 285 1H6 A 285 83.656 13.060 -25.107 108 2H6 A 285 2H6 A 285 84.613 11.701 -24.562 109 H2 A 285 H2 A 285 80.722 11.536 -28.076 110 1H5* G 286 1H5* G 286 83.022 6.367 -32.518 111 2H5* G 286 2H5* G 286 84.383 6.849 -33.530 112 H4* G 286 H4* G 286 82.505 8.451 -33.579 113 H3* G 286 H3* G 286 85.192 9.386 -32.580 114 H2* G 286 H2* G 286 84.356 11.609 -32.543 115 2HO* G 286 2HO* G 286 83.170 11.148 -34.537 116 H1* G 286 H1* G 286 81.948 10.813 -31.277 117 H8 G 286 H8 G 286 84.737 9.059 -29.624 118 H1 G 286 H1 G 286 84.192 15.215 -27.707 119 1H2 G 286 1H2 G 286 82.895 16.215 -28.960 120 2H2 G 286 2H2 G 286 82.077 15.493 -30.327 121 1H5* U 287 1H5* U 287 84.356 11.679 -36.054 122 2H5* U 287 2H5* U 287 85.795 12.189 -36.936 123 H4* U 287 H4* U 287 84.485 14.078 -36.063 124 H3* U 287 H3* U 287 87.314 13.699 -35.112 125 H2* U 287 H2* U 287 87.182 15.714 -33.889 126 2HO* U 287 2HO* U 287 84.736 15.943 -35.385 127 H1* U 287 H1* U 287 84.524 15.097 -32.985 128 H3 U 287 H3 U 287 87.058 15.601 -29.210 129 H5 U 287 H5 U 287 87.989 11.772 -30.630 130 H6 U 287 H6 U 287 86.713 12.320 -32.652 131 1H5* U 288 1H5* U 288 87.006 17.399 -36.312 132 2H5* U 288 2H5* U 288 88.246 18.084 -37.362 133 H4* U 288 H4* U 288 88.284 19.495 -35.534 134 H3* U 288 H3* U 288 90.427 17.406 -35.132 135 H2* U 288 H2* U 288 91.157 18.600 -33.227 136 2HO* U 288 2HO* U 288 90.815 20.610 -34.428 137 H1* U 288 H1* U 288 88.469 19.074 -32.364 138 H3 U 288 H3 U 288 90.219 16.659 -28.947 139 H5 U 288 H5 U 288 89.759 13.863 -32.031 140 H6 U 288 H6 U 288 89.164 15.732 -33.502 141 1H5* G 289 1H5* G 289 92.807 20.966 -34.753 142 2H5* G 289 2H5* G 289 94.392 20.518 -35.384 143 H4* G 289 H4* G 289 94.434 21.094 -32.992 144 H3* G 289 H3* G 289 95.214 18.295 -33.803 145 H2* G 289 H2* G 289 95.924 17.898 -31.575 146 2HO* G 289 2HO* G 289 96.189 19.736 -30.216 147 H1* G 289 H1* G 289 93.587 19.113 -30.498 148 H8 G 289 H8 G 289 92.986 16.758 -33.367 149 H1 G 289 H1 G 289 93.162 13.870 -27.578 150 1H2 G 289 1H2 G 289 93.799 15.218 -26.154 151 2H2 G 289 2H2 G 289 94.221 16.884 -26.480 152 1H5* A 290 1H5* A 290 98.390 16.433 -34.703 153 2H5* A 290 2H5* A 290 97.254 16.753 -33.392 154 H4* A 290 H4* A 290 99.514 15.371 -33.064 155 H3* A 290 H3* A 290 97.960 17.059 -31.151 156 H2* A 290 H2* A 290 99.609 16.818 -29.468 157 2HO* A 290 2HO* A 290 101.245 15.238 -31.141 158 H1* A 290 H1* A 290 101.744 17.489 -31.060 159 H8 A 290 H8 A 290 98.382 19.116 -31.848 160 1H6 A 290 1H6 A 290 100.454 23.940 -28.472 161 2H6 A 290 2H6 A 290 99.141 23.376 -29.482 162 H2 A 290 H2 A 290 103.458 20.675 -28.221 163 1H5* G 291 1H5* G 291 99.751 14.502 -28.345 164 2H5* G 291 2H5* G 291 98.370 13.969 -27.386 165 H4* G 291 H4* G 291 100.052 15.197 -26.068 166 H3* G 291 H3* G 291 97.239 16.217 -26.251 167 H2* G 291 H2* G 291 97.754 18.008 -24.777 168 2HO* G 291 2HO* G 291 100.336 17.729 -24.287 169 H1* G 291 H1* G 291 100.013 18.803 -26.168 170 H8 G 291 H8 G 291 96.970 17.393 -28.014 171 H1 G 291 H1 G 291 97.381 23.851 -27.866 172 1H2 G 291 1H2 G 291 98.995 24.412 -26.713 173 2H2 G 291 2H2 G 291 100.076 23.299 -25.906 174 1H5* A 292 1H5* A 292 96.979 13.603 -22.165 175 2H5* A 292 2H5* A 292 95.266 13.787 -21.786 176 H4* A 292 H4* A 292 96.924 15.232 -20.500 177 H3* A 292 H3* A 292 94.420 16.236 -21.800 178 H2* A 292 H2* A 292 94.863 18.449 -21.071 179 2HO* A 292 2HO* A 292 97.271 18.024 -19.848 180 H1* A 292 H1* A 292 97.488 18.475 -21.961 181 H8 A 292 H8 A 292 94.866 16.555 -23.967 182 1H6 A 292 1H6 A 292 94.567 21.650 -27.560 183 2H6 A 292 2H6 A 292 93.990 20.008 -27.377 184 H2 A 292 H2 A 292 97.289 22.508 -24.155 185 1H5* A 293 1H5* A 293 93.898 19.297 -19.151 186 2H5* A 293 2H5* A 293 92.168 19.086 -18.888 187 H4* A 293 H4* A 293 92.884 21.057 -20.311 188 H3* A 293 H3* A 293 90.788 19.077 -21.151 189 H2* A 293 H2* A 293 90.377 20.328 -23.124 190 2HO* A 293 2HO* A 293 90.694 22.307 -21.856 191 H1* A 293 H1* A 293 93.061 20.557 -23.810 192 H8 A 293 H8 A 293 92.776 17.208 -22.322 193 1H6 A 293 1H6 A 293 90.559 15.185 -27.794 194 2H6 A 293 2H6 A 293 91.163 14.675 -26.234 195 H2 A 293 H2 A 293 90.636 19.627 -27.881 196 1H5* A 294 1H5* A 294 88.895 23.164 -21.751 197 2H5* A 294 2H5* A 294 87.273 22.894 -21.115 198 H4* A 294 H4* A 294 87.225 23.808 -23.379 199 H3* A 294 H3* A 294 86.098 21.055 -22.936 200 H2* A 294 H2* A 294 85.363 20.995 -25.192 201 2HO* A 294 2HO* A 294 86.311 23.716 -25.170 202 H1* A 294 H1* A 294 87.808 21.865 -26.224 203 H8 A 294 H8 A 294 88.513 19.624 -23.351 204 1H6 A 294 1H6 A 294 87.909 14.823 -27.294 205 2H6 A 294 2H6 A 294 88.415 15.279 -25.682 206 H2 A 294 H2 A 294 86.529 18.506 -29.364 207 1H5* C 295 1H5* C 295 83.473 23.432 -24.542 208 2H5* C 295 2H5* C 295 81.739 23.477 -24.225 209 H4* C 295 H4* C 295 81.924 22.866 -26.472 210 H3* C 295 H3* C 295 81.410 20.437 -24.762 211 H2* C 295 H2* C 295 81.194 19.139 -26.733 212 2HO* C 295 2HO* C 295 80.060 20.954 -27.744 213 H1* C 295 H1* C 295 83.493 20.281 -27.920 214 1H4 C 295 1H4 C 295 85.469 14.711 -25.490 215 2H4 C 295 2H4 C 295 85.658 15.481 -23.930 216 H5 C 295 H5 C 295 85.009 17.704 -23.472 217 H6 C 295 H6 C 295 84.006 19.758 -24.408 218 1H5* U 296 1H5* U 296 77.814 20.862 -27.340 219 2H5* U 296 2H5* U 296 76.403 20.263 -26.467 220 H4* U 296 H4* U 296 76.699 19.051 -28.541 221 H3* U 296 H3* U 296 77.123 17.488 -26.002 222 H2* U 296 H2* U 296 77.337 15.502 -27.283 223 2HO* U 296 2HO* U 296 76.705 15.618 -29.510 224 H1* U 296 H1* U 296 79.089 16.701 -29.139 225 H3 U 296 H3 U 296 81.529 13.583 -26.844 226 H5 U 296 H5 U 296 81.476 16.956 -24.363 227 H6 U 296 H6 U 296 79.834 17.937 -25.897 228 1H5* A 297 1H5* A 297 74.364 15.787 -28.303 229 2H5* A 297 2H5* A 297 72.917 15.018 -27.651 230 H4* A 297 H4* A 297 74.051 13.340 -28.839 231 H3* A 297 H3* A 297 74.417 13.078 -25.869 232 H2* A 297 H2* A 297 75.640 11.062 -26.191 233 2HO* A 297 2HO* A 297 75.547 11.192 -28.980 234 H1* A 297 H1* A 297 77.260 12.216 -28.194 235 H8 A 297 H8 A 297 76.867 14.717 -25.514 236 1H6 A 297 1H6 A 297 81.445 11.807 -22.429 237 2H6 A 297 2H6 A 297 80.459 13.251 -22.470 238 H2 A 297 H2 A 297 80.207 9.233 -25.832 239 1H5* G 298 1H5* G 298 73.794 8.745 -27.503 240 2H5* G 298 2H5* G 298 72.461 8.356 -26.418 241 H4* G 298 H4* G 298 74.187 6.653 -26.323 242 H3* G 298 H3* G 298 73.667 8.270 -23.853 243 H2* G 298 H2* G 298 75.273 7.001 -22.642 244 2HO* G 298 2HO* G 298 75.548 4.974 -23.388 245 H1* G 298 H1* G 298 77.191 7.251 -24.719 246 H8 G 298 H8 G 298 75.643 10.553 -24.267 247 H1 G 298 H1 G 298 79.980 9.218 -19.653 248 1H2 G 298 1H2 G 298 80.480 7.219 -19.735 249 2H2 G 298 2H2 G 298 79.822 6.076 -20.883 250 1H5* C 299 1H5* C 299 73.721 4.807 -22.706 251 2H5* C 299 2H5* C 299 72.510 3.999 -21.710 252 H4* C 299 H4* C 299 74.524 3.960 -20.482 253 H3* C 299 H3* C 299 72.559 5.985 -19.451 254 H2* C 299 H2* C 299 74.031 6.581 -17.714 255 2HO* C 299 2HO* C 299 75.614 4.354 -18.625 256 H1* C 299 H1* C 299 76.314 6.394 -19.487 257 1H4 C 299 1H4 C 299 75.599 12.619 -18.190 258 2H4 C 299 2H4 C 299 74.392 12.710 -19.452 259 H5 C 299 H5 C 299 73.573 10.834 -20.628 260 H6 C 299 H6 C 299 73.712 8.381 -20.885 261 1H5* U 300 1H5* U 300 74.385 3.054 -16.865 262 2H5* U 300 2H5* U 300 73.351 2.403 -15.592 263 H4* U 300 H4* U 300 75.434 2.879 -14.592 264 H3* U 300 H3* U 300 73.322 4.904 -13.897 265 H2* U 300 H2* U 300 74.838 5.979 -12.426 266 2HO* U 300 2HO* U 300 76.885 4.821 -12.043 267 H1* U 300 H1* U 300 76.941 6.014 -14.253 268 H3 U 300 H3 U 300 75.709 10.356 -14.286 269 H5 U 300 H5 U 300 72.591 8.445 -16.328 270 H6 U 300 H6 U 300 73.648 6.311 -15.743 271 1H5* C 301 1H5* C 301 74.028 2.703 -10.119 272 2H5* C 301 2H5* C 301 72.814 3.098 -8.902 273 H4* C 301 H4* C 301 75.011 4.144 -8.481 274 H3* C 301 H3* C 301 72.565 5.844 -8.832 275 H2* C 301 H2* C 301 73.823 7.807 -8.417 276 2HO* C 301 2HO* C 301 75.988 5.975 -7.916 277 H1* C 301 H1* C 301 75.947 6.928 -10.114 278 1H4 C 301 1H4 C 301 72.766 11.329 -13.490 279 2H4 C 301 2H4 C 301 71.620 10.097 -13.969 280 H5 C 301 H5 C 301 71.631 7.891 -13.129 281 H6 C 301 H6 C 301 72.757 6.306 -11.605 282 1H5* U 302 1H5* U 302 74.173 7.178 -5.933 283 2H5* U 302 2H5* U 302 73.535 7.280 -4.292 284 H4* U 302 H4* U 302 73.891 9.479 -4.581 285 H3* U 302 H3* U 302 71.222 9.047 -5.904 286 H2* U 302 H2* U 302 71.122 11.361 -6.422 287 2HO* U 302 2HO* U 302 73.518 11.416 -4.823 288 H1* U 302 H1* U 302 73.756 11.433 -7.399 289 H3 U 302 H3 U 302 71.703 11.835 -11.364 290 H5 U 302 H5 U 302 70.412 8.077 -10.041 291 H6 U 302 H6 U 302 71.611 8.512 -7.946 292 1H5* G 303 1H5* G 303 70.928 11.964 -3.441 293 2H5* G 303 2H5* G 303 69.559 12.320 -2.386 294 H4* G 303 H4* G 303 69.522 14.113 -3.820 295 H3* G 303 H3* G 303 67.689 12.027 -5.019 296 H2* G 303 H2* G 303 67.059 13.603 -6.647 297 2HO* G 303 2HO* G 303 66.926 15.221 -4.928 298 H1* G 303 H1* G 303 69.761 14.617 -6.828 299 H8 G 303 H8 G 303 69.382 10.917 -7.246 300 H1 G 303 H1 G 303 68.582 14.250 -12.735 301 1H2 G 303 1H2 G 303 68.483 16.265 -12.309 302 2H2 G 303 2H2 G 303 68.600 16.950 -10.704 303 1H5* U 304 1H5* U 304 65.331 15.433 -3.661 304 2H5* U 304 2H5* U 304 63.582 15.237 -3.761 305 H4* U 304 H4* U 304 64.619 16.809 -5.430 306 H3* U 304 H3* U 304 62.841 14.529 -6.264 307 H2* U 304 H2* U 304 62.939 15.281 -8.508 308 2HO* U 304 2HO* U 304 64.610 17.453 -7.838 309 H1* U 304 H1* U 304 65.748 15.703 -8.378 310 H3 U 304 H3 U 304 65.022 12.420 -11.491 311 H5 U 304 H5 U 304 64.895 10.464 -7.791 312 H6 U 304 H6 U 304 64.934 12.675 -6.731 313 1H5* A 305 1H5* A 305 61.063 18.594 -5.669 314 2H5* A 305 2H5* A 305 59.508 18.936 -4.912 315 H4* A 305 H4* A 305 58.932 19.331 -7.064 316 H3* A 305 H3* A 305 58.485 16.392 -6.649 317 H2* A 305 H2* A 305 57.803 16.145 -8.900 318 2HO* A 305 2HO* A 305 57.874 18.475 -10.006 319 H1* A 305 H1* A 305 59.950 17.832 -9.807 320 H8 A 305 H8 A 305 60.525 14.900 -7.449 321 1H6 A 305 1H6 A 305 62.147 11.692 -12.551 322 2H6 A 305 2H6 A 305 62.050 11.625 -10.805 323 H2 A 305 H2 A 305 60.670 15.683 -13.829 324 1H5* U 306 1H5* U 306 54.037 17.349 -4.188 325 2H5* U 306 2H5* U 306 53.602 18.874 -4.960 326 H4* U 306 H4* U 306 53.537 18.439 -2.297 327 H3* U 306 H3* U 306 53.888 20.988 -3.858 328 H2* U 306 H2* U 306 54.336 22.160 -1.930 329 2HO* U 306 2HO* U 306 53.368 20.845 0.077 330 H1* U 306 H1* U 306 55.114 19.606 -0.572 331 H3 U 306 H3 U 306 58.772 21.391 1.242 332 H5 U 306 H5 U 306 58.444 23.533 -2.341 333 H6 U 306 H6 U 306 56.451 22.195 -2.844 334 1H5* C 307 1H5* C 307 50.205 20.860 -0.718 335 2H5* C 307 2H5* C 307 49.095 20.883 -2.088 336 H4* C 307 H4* C 307 48.647 22.087 0.308 337 H3* C 307 H3* C 307 47.490 22.524 -2.419 338 H2* C 307 H2* C 307 46.252 24.398 -1.643 339 2HO* C 307 2HO* C 307 47.358 23.571 0.884 340 H1* C 307 H1* C 307 48.445 25.592 -0.410 341 1H4 C 307 1H4 C 307 48.133 27.987 -6.357 342 2H4 C 307 2H4 C 307 49.359 26.827 -6.819 343 H5 C 307 H5 C 307 50.150 25.113 -5.401 344 H6 C 307 H6 C 307 49.958 24.078 -3.167 345 1H5* U 308 1H5* U 308 44.192 19.470 -1.802 346 2H5* U 308 2H5* U 308 42.776 19.477 -0.752 347 H4* U 308 H4* U 308 43.987 17.414 -0.473 348 H3* U 308 H3* U 308 44.111 19.284 1.895 349 H2* U 308 H2* U 308 45.408 17.760 3.018 350 2HO* U 308 2HO* U 308 44.044 15.874 1.318 351 H1* U 308 H1* U 308 46.070 16.430 0.406 352 H3 U 308 H3 U 308 50.482 16.195 1.106 353 H5 U 308 H5 U 308 49.290 19.117 3.857 354 H6 U 308 H6 U 308 47.023 18.913 2.944 355 1H5* G 309 1H5* G 309 42.428 17.625 5.821 356 2H5* G 309 2H5* G 309 40.882 18.036 5.078 357 H4* G 309 H4* G 309 41.286 19.473 6.966 358 H3* G 309 H3* G 309 41.361 20.786 4.263 359 H2* G 309 H2* G 309 41.743 22.879 5.247 360 2HO* G 309 2HO* G 309 41.035 21.458 7.650 361 H1* G 309 H1* G 309 43.412 21.636 7.304 362 H8 G 309 H8 G 309 43.577 22.137 3.494 363 H1 G 309 H1 G 309 48.327 24.913 6.902 364 1H2 G 309 1H2 G 309 48.061 24.512 8.908 365 2H2 G 309 2H2 G 309 46.748 23.564 9.567 366 1H5* G 310 1H5* G 310 40.169 24.082 5.109 367 2H5* G 310 2H5* G 310 38.529 23.573 5.509 368 H4* G 310 H4* G 310 39.214 25.811 4.086 369 H3* G 310 H3* G 310 36.616 24.270 4.219 370 H2* G 310 H2* G 310 35.661 25.877 2.788 371 2HO* G 310 2HO* G 310 38.114 27.329 3.195 372 H1* G 310 H1* G 310 38.100 26.057 1.243 373 H8 G 310 H8 G 310 36.989 22.554 1.524 374 H1 G 310 H1 G 310 33.736 25.832 -3.009 375 1H2 G 310 1H2 G 310 34.127 27.847 -2.817 376 2H2 G 310 2H2 G 310 35.180 28.545 -1.607 377 1H5* C 311 1H5* C 311 36.104 28.204 5.772 378 2H5* C 311 2H5* C 311 34.950 28.436 7.084 379 H4* C 311 H4* C 311 34.269 29.864 5.338 380 H3* C 311 H3* C 311 32.544 27.399 5.516 381 H2* C 311 H2* C 311 31.103 28.334 3.874 382 2HO* C 311 2HO* C 311 32.184 30.634 3.229 383 H1* C 311 H1* C 311 33.285 29.083 2.224 384 1H4 C 311 1H4 C 311 31.014 23.668 -0.306 385 2H4 C 311 2H4 C 311 31.992 22.759 0.825 386 H5 C 311 H5 C 311 33.250 23.743 2.563 387 H6 C 311 H6 C 311 33.886 25.864 3.658 388 1H5* G 312 1H5* G 312 29.113 30.941 6.379 389 2H5* G 312 2H5* G 312 27.905 29.692 6.674 390 H4* G 312 H4* G 312 27.892 31.395 4.563 391 H3* G 312 H3* G 312 26.624 28.718 4.995 392 H2* G 312 H2* G 312 25.840 28.671 2.751 393 2HO* G 312 2HO* G 312 25.538 31.054 2.970 394 H1* G 312 H1* G 312 28.287 29.254 1.627 395 H8 G 312 H8 G 312 29.494 27.343 4.420 396 H1 G 312 H1 G 312 26.340 23.543 0.237 397 1H2 G 312 1H2 G 312 25.254 24.710 -1.070 398 2H2 G 312 2H2 G 312 25.205 26.458 -1.038 399 1H5* G 313 1H5* G 313 24.073 30.465 1.834 400 2H5* G 313 2H5* G 313 22.648 30.723 2.840 401 H4* G 313 H4* G 313 21.922 29.564 0.914 402 H3* G 313 H3* G 313 22.054 27.830 3.363 403 H2* G 313 H2* G 313 21.163 26.007 2.139 404 2HO* G 313 2HO* G 313 20.600 26.657 -0.198 405 H1* G 313 H1* G 313 22.901 26.285 -0.005 406 H8 G 313 H8 G 313 24.588 27.189 3.226 407 H1 G 313 H1 G 313 24.650 20.852 1.916 408 1H2 G 313 1H2 G 313 23.431 20.472 0.297 409 2H2 G 313 2H2 G 313 22.525 21.688 -0.576 410 1H5* A 314 1H5* A 314 18.449 27.532 1.018 411 2H5* A 314 2H5* A 314 17.026 27.161 1.991 412 H4* A 314 H4* A 314 17.292 25.556 0.190 413 H3* A 314 H3* A 314 17.581 24.545 3.003 414 H2* A 314 H2* A 314 17.785 22.318 2.185 415 2HO* A 314 2HO* A 314 17.379 23.552 -0.386 416 H1* A 314 H1* A 314 19.744 22.966 0.329 417 H8 A 314 H8 A 314 20.069 25.035 3.450 418 1H6 A 314 1H6 A 314 23.647 20.441 5.695 419 2H6 A 314 2H6 A 314 23.077 22.068 5.993 420 H2 A 314 H2 A 314 21.849 19.061 1.873 421 1H5* C 315 1H5* C 315 16.399 21.189 1.192 422 2H5* C 315 2H5* C 315 14.750 20.950 1.771 423 H4* C 315 H4* C 315 16.243 18.976 2.040 424 H3* C 315 H3* C 315 14.312 19.810 3.818 425 H2* C 315 H2* C 315 15.760 20.740 5.423 426 2HO* C 315 2HO* C 315 15.323 19.199 6.916 427 H1* C 315 H1* C 315 17.811 18.549 5.046 428 1H4 C 315 1H4 C 315 21.790 22.948 7.319 429 2H4 C 315 2H4 C 315 20.754 24.239 6.751 430 H5 C 315 H5 C 315 18.735 23.886 5.577 431 H6 C 315 H6 C 315 17.198 22.192 4.651 432 1H5* C 316 1H5* C 316 14.704 14.557 2.437 433 2H5* C 316 2H5* C 316 16.183 15.289 3.059 434 H4* C 316 H4* C 316 15.638 14.135 0.339 435 H3* C 316 H3* C 316 17.536 13.550 2.571 436 H2* C 316 H2* C 316 19.259 12.948 1.065 437 2HO* C 316 2HO* C 316 17.106 13.241 -0.824 438 H1* C 316 H1* C 316 19.055 15.175 -0.527 439 1H4 C 316 1H4 C 316 23.030 16.953 4.155 440 2H4 C 316 2H4 C 316 21.651 17.485 5.091 441 H5 C 316 H5 C 316 19.407 17.147 4.435 442 H6 C 316 H6 C 316 17.920 16.207 2.703 443 1H5* C 317 1H5* C 317 17.498 10.073 0.365 444 2H5* C 317 2H5* C 317 17.165 8.595 1.266 445 H4* C 317 H4* C 317 19.215 8.178 0.259 446 H3* C 317 H3* C 317 19.623 9.048 3.108 447 H2* C 317 H2* C 317 21.962 8.708 2.880 448 2HO* C 317 2HO* C 317 21.811 7.954 0.191 449 H1* C 317 H1* C 317 22.139 10.107 0.473 450 1H4 C 317 1H4 C 317 23.408 14.529 4.894 451 2H4 C 317 2H4 C 317 21.695 14.705 5.205 452 H5 C 317 H5 C 317 20.032 13.358 4.206 453 H6 C 317 H6 C 317 19.598 11.492 2.648 454 1H5* G 318 1H5* G 318 21.676 5.725 2.548 455 2H5* G 318 2H5* G 318 21.212 4.295 3.469 456 H4* G 318 H4* G 318 23.512 4.327 3.685 457 H3* G 318 H3* G 318 22.251 5.582 6.102 458 H2* G 318 H2* G 318 24.388 5.924 7.073 459 2HO* G 318 2HO* G 318 25.975 4.567 6.397 460 H1* G 318 H1* G 318 25.498 7.069 4.803 461 H8 G 318 H8 G 318 21.838 7.886 5.291 462 H1 G 318 H1 G 318 25.910 11.969 8.229 463 1H2 G 318 1H2 G 318 27.834 11.240 8.093 464 2H2 G 318 2H2 G 318 28.278 9.744 7.302 465 1H5* U 319 1H5* U 319 24.153 3.339 7.703 466 2H5* U 319 2H5* U 319 24.001 2.308 9.125 467 H4* U 319 H4* U 319 23.936 5.185 8.917 468 H3* U 319 H3* U 319 24.217 3.169 11.130 469 H2* U 319 H2* U 319 23.893 4.906 12.732 470 2HO* U 319 2HO* U 319 23.833 6.551 10.367 471 H1* U 319 H1* U 319 21.616 5.872 11.349 472 H3 U 319 H3 U 319 19.308 4.300 14.841 473 H5 U 319 H5 U 319 21.337 0.891 13.499 474 H6 U 319 H6 U 319 22.432 2.319 11.833 475 1H5* G 320 1H5* G 320 26.712 5.749 9.155 476 2H5* G 320 2H5* G 320 27.387 5.345 7.577 477 H4* G 320 H4* G 320 29.623 5.055 8.885 478 H3* G 320 H3* G 320 27.924 6.217 10.992 479 H2* G 320 H2* G 320 29.402 7.998 11.510 480 2HO* G 320 2HO* G 320 31.268 7.481 9.541 481 H1* G 320 H1* G 320 29.651 8.929 8.956 482 H8 G 320 H8 G 320 26.294 7.590 8.694 483 H1 G 320 H1 G 320 26.427 12.897 12.395 484 1H2 G 320 1H2 G 320 28.379 13.340 12.894 485 2H2 G 320 2H2 G 320 29.771 12.413 12.385 486 1H5* G 321 1H5* G 321 31.993 6.282 12.789 487 2H5* G 321 2H5* G 321 31.752 5.574 14.385 488 H4* G 321 H4* G 321 32.840 7.745 14.532 489 H3* G 321 H3* G 321 30.122 7.421 15.750 490 H2* G 321 H2* G 321 30.162 9.663 16.540 491 2HO* G 321 2HO* G 321 32.840 9.525 15.489 492 H1* G 321 H1* G 321 31.037 10.645 14.023 493 H8 G 321 H8 G 321 28.392 8.303 13.190 494 H1 G 321 H1 G 321 26.009 13.748 15.751 495 1H2 G 321 1H2 G 321 27.537 14.827 16.620 496 2H2 G 321 2H2 G 321 29.214 14.329 16.650 497 1H5* U 322 1H5* U 322 32.507 7.266 19.821 498 2H5* U 322 2H5* U 322 31.199 6.752 20.886 499 H4* U 322 H4* U 322 32.009 9.209 20.950 500 H3* U 322 H3* U 322 29.165 8.263 21.017 501 H2* U 322 H2* U 322 28.384 10.496 21.161 502 2HO* U 322 2HO* U 322 31.199 10.916 21.533 503 H1* U 322 H1* U 322 30.149 11.373 19.107 504 H3 U 322 H3 U 322 25.864 11.993 17.594 505 H5 U 322 H5 U 322 26.712 7.955 16.876 506 H6 U 322 H6 U 322 28.762 8.255 18.187 507 1H5* G 323 1H5* G 323 29.335 10.116 25.502 508 2H5* G 323 2H5* G 323 28.739 8.621 26.221 509 H4* G 323 H4* G 323 27.343 10.347 27.016 510 H3* G 323 H3* G 323 26.064 8.625 24.930 511 H2* G 323 H2* G 323 24.030 9.866 25.094 512 2HO* G 323 2HO* G 323 24.047 11.591 26.760 513 H1* G 323 H1* G 323 25.277 12.312 24.720 514 H8 G 323 H8 G 323 27.230 10.006 22.632 515 H1 G 323 H1 G 323 21.534 11.516 19.957 516 1H2 G 323 1H2 G 323 20.343 12.451 21.355 517 2H2 G 323 2H2 G 323 20.817 12.779 23.006 518 1H5* G 324 1H5* G 324 24.146 6.343 24.180 519 2H5* G 324 2H5* G 324 24.323 8.088 24.358 520 H4* G 324 H4* G 324 22.182 8.404 23.893 521 H3* G 324 H3* G 324 21.729 6.632 26.257 522 H2* G 324 H2* G 324 19.469 6.265 25.647 523 2HO* G 324 2HO* G 324 19.987 8.082 23.479 524 H1* G 324 H1* G 324 20.002 5.619 23.017 525 H8 G 324 H8 G 324 22.947 4.145 24.394 526 H1 G 324 H1 G 324 17.696 0.910 26.355 527 1H2 G 324 1H2 G 324 16.013 2.044 25.989 528 2H2 G 324 2H2 G 324 16.022 3.634 25.259 529 1H5* A 325 1H5* A 325 18.535 9.330 26.574 530 2H5* A 325 2H5* A 325 18.523 10.082 28.170 531 H4* A 325 H4* A 325 16.385 9.160 27.894 532 H3* A 325 H3* A 325 18.113 7.444 29.662 533 H2* A 325 H2* A 325 16.261 6.018 30.073 534 2HO* A 325 2HO* A 325 14.756 7.736 30.196 535 H1* A 325 H1* A 325 15.554 5.852 27.364 536 H8 A 325 H8 A 325 19.234 5.761 27.477 537 1H6 A 325 1H6 A 325 18.829 -0.320 28.820 538 2H6 A 325 2H6 A 325 19.929 0.959 28.357 539 H2 A 325 H2 A 325 14.770 1.453 29.171 540 1H5* A 326 1H5* A 326 15.482 8.917 33.390 541 2H5* A 326 2H5* A 326 16.432 7.982 34.544 542 H4* A 326 H4* A 326 13.985 7.275 33.840 543 H3* A 326 H3* A 326 16.326 5.575 34.583 544 H2* A 326 H2* A 326 15.101 3.580 34.141 545 2HO* A 326 2HO* A 326 13.056 4.113 34.761 546 H1* A 326 H1* A 326 14.310 4.402 31.608 547 H8 A 326 H8 A 326 17.588 5.809 31.527 548 1H6 A 326 1H6 A 326 20.039 0.096 30.979 549 2H6 A 326 2H6 A 326 20.381 1.805 30.830 550 H2 A 326 H2 A 326 15.796 -0.326 32.230 551 1H5* C 327 1H5* C 327 13.192 3.718 36.840 552 2H5* C 327 2H5* C 327 13.830 3.362 38.445 553 H4* C 327 H4* C 327 13.057 1.346 37.305 554 H3* C 327 H3* C 327 15.972 1.577 37.987 555 H2* C 327 H2* C 327 16.342 -0.639 37.196 556 2HO* C 327 2HO* C 327 13.706 -0.991 36.330 557 H1* C 327 H1* C 327 15.053 -0.193 34.773 558 1H4 C 327 1H4 C 327 21.247 1.162 33.808 559 2H4 C 327 2H4 C 327 20.862 2.847 34.072 560 H5 C 327 H5 C 327 18.747 3.616 34.792 561 H6 C 327 H6 C 327 16.459 2.948 35.438 562 1H5* U 328 1H5* U 328 14.707 -2.081 39.406 563 2H5* U 328 2H5* U 328 15.072 -2.321 41.115 564 H4* U 328 H4* U 328 15.830 -4.226 39.874 565 H3* U 328 H3* U 328 18.007 -2.474 40.990 566 H2* U 328 H2* U 328 19.633 -4.038 40.250 567 2HO* U 328 2HO* U 328 17.361 -5.598 39.419 568 H1* U 328 H1* U 328 18.538 -4.261 37.688 569 H3 U 328 H3 U 328 22.581 -1.939 37.759 570 H5 U 328 H5 U 328 19.517 0.914 37.860 571 H6 U 328 H6 U 328 17.950 -0.927 38.267 572 1H5* G 329 1H5* G 329 19.932 -5.460 44.297 573 2H5* G 329 2H5* G 329 20.351 -3.862 44.913 574 H4* G 329 H4* G 329 22.095 -5.626 43.784 575 H3* G 329 H3* G 329 22.217 -2.654 44.193 576 H2* G 329 H2* G 329 24.310 -2.571 43.069 577 2HO* G 329 2HO* G 329 25.459 -4.409 43.237 578 H1* G 329 H1* G 329 23.359 -4.166 40.932 579 H8 G 329 H8 G 329 20.635 -1.850 41.502 580 H1 G 329 H1 G 329 25.686 1.102 38.734 581 1H2 G 329 1H2 G 329 27.348 -0.112 38.862 582 2H2 G 329 2H2 G 329 27.370 -1.694 39.607 583 1H5* U 330 1H5* U 330 22.605 -0.276 45.667 584 2H5* U 330 2H5* U 330 23.798 -0.993 44.583 585 H4* U 330 H4* U 330 24.141 1.261 46.130 586 H3* U 330 H3* U 330 26.072 -0.543 44.693 587 H2* U 330 H2* U 330 27.865 0.474 45.721 588 2HO* U 330 2HO* U 330 26.651 2.774 46.607 589 H1* U 330 H1* U 330 26.079 1.355 47.950 590 H3 U 330 H3 U 330 29.156 0.199 50.960 591 H5 U 330 H5 U 330 29.458 -2.907 48.167 592 H6 U 330 H6 U 330 27.721 -1.769 46.862 593 1H5* G 331 1H5* G 331 29.361 2.660 43.260 594 2H5* G 331 2H5* G 331 28.675 2.207 41.700 595 H4* G 331 H4* G 331 31.050 1.388 42.372 596 H3* G 331 H3* G 331 28.923 -0.181 40.960 597 H2* G 331 H2* G 331 30.347 -2.078 40.843 598 2HO* G 331 2HO* G 331 32.353 -0.577 42.213 599 H1* G 331 H1* G 331 31.071 -1.862 43.570 600 H8 G 331 H8 G 331 27.415 -1.293 42.961 601 H1 G 331 H1 G 331 29.019 -7.531 43.589 602 1H2 G 331 1H2 G 331 31.072 -7.718 43.591 603 2H2 G 331 2H2 G 331 32.193 -6.384 43.444 604 1H5* A 332 1H5* A 332 31.523 1.676 37.160 605 2H5* A 332 2H5* A 332 30.749 0.823 35.825 606 H4* A 332 H4* A 332 33.018 -0.023 36.708 607 H3* A 332 H3* A 332 30.649 -1.691 35.978 608 H2* A 332 H2* A 332 31.766 -3.689 36.609 609 2HO* A 332 2HO* A 332 34.098 -3.039 37.491 610 H1* A 332 H1* A 332 32.601 -2.658 39.078 611 H8 A 332 H8 A 332 29.141 -1.506 38.252 612 1H6 A 332 1H6 A 332 27.100 -6.783 40.887 613 2H6 A 332 2H6 A 332 26.600 -5.240 40.232 614 H2 A 332 H2 A 332 31.522 -7.028 40.528 615 1H5* A 333 1H5* A 333 32.059 -5.078 33.732 616 2H5* A 333 2H5* A 333 31.375 -4.362 32.272 617 H4* A 333 H4* A 333 30.298 -6.491 33.104 618 H3* A 333 H3* A 333 28.742 -3.998 32.480 619 H2* A 333 H2* A 333 26.711 -5.140 32.930 620 2HO* A 333 2HO* A 333 28.350 -7.456 33.388 621 H1* A 333 H1* A 333 27.578 -6.198 35.349 622 H8 A 333 H8 A 333 29.050 -2.797 34.916 623 1H6 A 333 1H6 A 333 23.773 -0.534 37.363 624 2H6 A 333 2H6 A 333 25.399 -0.118 36.866 625 H2 A 333 H2 A 333 23.194 -4.869 36.577 626 1H5* G 334 1H5* G 334 26.881 -7.909 31.026 627 2H5* G 334 2H5* G 334 25.650 -7.435 29.856 628 H4* G 334 H4* G 334 25.014 -8.548 32.154 629 H3* G 334 H3* G 334 23.548 -6.394 30.661 630 H2* G 334 H2* G 334 21.856 -6.374 32.335 631 2HO* G 334 2HO* G 334 23.412 -8.576 33.351 632 H1* G 334 H1* G 334 23.658 -6.171 34.440 633 H8 G 334 H8 G 334 25.377 -4.108 32.051 634 H1 G 334 H1 G 334 19.929 -1.243 34.049 635 1H2 G 334 1H2 G 334 18.738 -2.624 35.012 636 2H2 G 334 2H2 G 334 19.153 -4.307 35.244 637 1H5* U 335 1H5* U 335 20.648 -9.133 32.060 638 2H5* U 335 2H5* U 335 19.465 -9.430 30.785 639 H4* U 335 H4* U 335 18.440 -8.644 32.876 640 H3* U 335 H3* U 335 18.126 -7.036 30.364 641 H2* U 335 H2* U 335 16.744 -5.473 31.495 642 2HO* U 335 2HO* U 335 16.539 -6.232 33.948 643 H1* U 335 H1* U 335 18.494 -5.231 33.677 644 H3 U 335 H3 U 335 18.407 -1.346 31.151 645 H5 U 335 H5 U 335 21.511 -3.696 29.607 646 H6 U 335 H6 U 335 20.674 -5.538 30.992 647 1H5* U 336 1H5* U 336 14.009 -8.024 31.473 648 2H5* U 336 2H5* U 336 13.032 -8.213 30.017 649 H4* U 336 H4* U 336 12.163 -6.401 31.331 650 H3* U 336 H3* U 336 13.422 -5.681 28.711 651 H2* U 336 H2* U 336 12.938 -3.382 29.047 652 2HO* U 336 2HO* U 336 11.821 -3.586 31.550 653 H1* U 336 H1* U 336 13.925 -3.401 31.690 654 H3 U 336 H3 U 336 16.846 -0.787 29.375 655 H5 U 336 H5 U 336 17.925 -4.705 28.364 656 H6 U 336 H6 U 336 15.912 -5.459 29.545 657 1H5* C 337 1H5* C 337 9.744 -3.434 28.551 658 2H5* C 337 2H5* C 337 9.260 -3.417 26.855 659 H4* C 337 H4* C 337 9.804 -1.181 27.858 660 H3* C 337 H3* C 337 11.139 -2.172 25.353 661 H2* C 337 H2* C 337 12.343 -0.175 25.161 662 2HO* C 337 2HO* C 337 10.467 0.710 27.161 663 H1* C 337 H1* C 337 12.592 0.010 28.069 664 1H4 C 337 1H4 C 337 18.533 -0.691 25.771 665 2H4 C 337 2H4 C 337 18.288 -2.423 25.799 666 H5 C 337 H5 C 337 16.222 -3.452 26.301 667 H6 C 337 H6 C 337 13.860 -3.068 26.907 668 1H5* G 338 1H5* G 338 9.015 0.816 23.500 669 2H5* G 338 2H5* G 338 8.425 0.337 21.909 670 H4* G 338 H4* G 338 10.254 1.794 21.558 671 H3* G 338 H3* G 338 10.906 -1.089 21.014 672 H2* G 338 H2* G 338 13.085 -0.501 20.346 673 2HO* G 338 2HO* G 338 11.981 2.157 20.473 674 H1* G 338 H1* G 338 13.236 1.490 22.463 675 H8 G 338 H8 G 338 12.449 -1.880 23.759 676 H1 G 338 H1 G 338 18.772 -1.030 22.675 677 1H2 G 338 1H2 G 338 19.060 0.703 21.596 678 2H2 G 338 2H2 G 338 17.778 1.768 21.064 679 1H5* G 339 1H5* G 339 13.196 0.323 18.311 680 2H5* G 339 2H5* G 339 12.888 -0.547 16.808 681 H4* G 339 H4* G 339 15.175 -0.838 17.869 682 H3* G 339 H3* G 339 13.439 -3.068 16.905 683 H2* G 339 H2* G 339 14.544 -4.573 18.205 684 2HO* G 339 2HO* G 339 16.003 -4.278 16.351 685 H1* G 339 H1* G 339 16.344 -2.276 19.121 686 H8 G 339 H8 G 339 17.449 -2.907 21.284 687 H1 G 339 H1 G 339 13.122 -7.554 22.535 688 1H2 G 339 1H2 G 339 11.668 -7.553 21.071 689 2H2 G 339 2H2 G 339 11.628 -6.457 19.709 690 1H5* A 340 1H5* A 340 15.436 0.087 14.218 691 2H5* A 340 2H5* A 340 16.664 1.252 14.712 692 H4* A 340 H4* A 340 14.029 1.811 14.444 693 H3* A 340 H3* A 340 16.192 3.122 16.057 694 H2* A 340 H2* A 340 14.614 4.655 16.968 695 2HO* A 340 2HO* A 340 12.564 4.759 15.971 696 H1* A 340 H1* A 340 12.798 2.569 17.591 697 H8 A 340 H8 A 340 15.986 1.230 18.659 698 1H6 A 340 1H6 A 340 15.689 4.829 23.750 699 2H6 A 340 2H6 A 340 16.525 3.480 23.014 700 H2 A 340 H2 A 340 12.589 6.216 20.885 701 1H5* A 341 1H5* A 341 13.395 5.973 14.464 702 2H5* A 341 2H5* A 341 14.251 7.436 13.978 703 H4* A 341 H4* A 341 12.433 7.882 15.571 704 H3* A 341 H3* A 341 15.257 8.547 16.375 705 H2* A 341 H2* A 341 14.437 9.564 18.356 706 2HO* A 341 2HO* A 341 11.975 9.600 18.454 707 H1* A 341 H1* A 341 12.743 7.423 18.980 708 H8 A 341 H8 A 341 15.901 6.049 17.597 709 1H6 A 341 1H6 A 341 18.311 6.536 23.333 710 2H6 A 341 2H6 A 341 18.581 5.884 21.733 711 H2 A 341 H2 A 341 14.406 8.657 23.281 712 1H5* C 342 1H5* C 342 13.354 11.926 16.564 713 2H5* C 342 2H5* C 342 13.876 13.372 15.702 714 H4* C 342 H4* C 342 13.706 13.886 18.030 715 H3* C 342 H3* C 342 16.453 13.841 16.868 716 H2* C 342 H2* C 342 17.442 14.364 18.971 717 2HO* C 342 2HO* C 342 14.726 14.390 19.922 718 H1* C 342 H1* C 342 16.071 12.333 20.312 719 1H4 C 342 1H4 C 342 21.754 9.949 18.489 720 2H4 C 342 2H4 C 342 20.913 9.158 17.175 721 H5 C 342 H5 C 342 18.640 9.531 16.654 722 H6 C 342 H6 C 342 16.593 10.767 17.272 723 1H5* A 343 1H5* A 343 16.537 16.857 19.410 724 2H5* A 343 2H5* A 343 16.956 18.402 18.672 725 H4* A 343 H4* A 343 18.401 18.102 20.521 726 H3* A 343 H3* A 343 19.747 17.686 17.868 727 H2* A 343 H2* A 343 21.831 17.373 18.961 728 2HO* A 343 2HO* A 343 20.936 19.052 20.540 729 H1* A 343 H1* A 343 20.835 15.550 20.811 730 H8 A 343 H8 A 343 19.123 15.100 17.514 731 1H6 A 343 1H6 A 343 23.834 11.313 15.956 732 2H6 A 343 2H6 A 343 22.257 11.891 15.464 733 H2 A 343 H2 A 343 24.869 13.316 19.785 734 1H5* C 344 1H5* C 344 22.135 21.109 19.114 735 2H5* C 344 2H5* C 344 22.623 21.909 17.621 736 H4* C 344 H4* C 344 24.483 20.813 18.848 737 H3* C 344 H3* C 344 23.860 19.989 16.016 738 H2* C 344 H2* C 344 25.837 18.667 16.009 739 2HO* C 344 2HO* C 344 27.105 18.884 18.127 740 H1* C 344 H1* C 344 25.231 17.553 18.545 741 1H4 C 344 1H4 C 344 23.397 13.073 14.389 742 2H4 C 344 2H4 C 344 21.953 13.996 14.036 743 H5 C 344 H5 C 344 21.515 16.143 14.919 744 H6 C 344 H6 C 344 22.364 17.950 16.369 745 1H5* C 345 1H5* C 345 28.150 21.808 15.351 746 2H5* C 345 2H5* C 345 28.268 21.538 13.613 747 H4* C 345 H4* C 345 29.602 20.085 15.409 748 H3* C 345 H3* C 345 28.516 19.245 12.726 749 H2* C 345 H2* C 345 29.521 17.113 13.033 750 2HO* C 345 2HO* C 345 30.523 17.715 15.573 751 H1* C 345 H1* C 345 28.549 16.903 15.684 752 1H4 C 345 1H4 C 345 24.632 13.517 11.877 753 2H4 C 345 2H4 C 345 23.549 14.891 11.901 754 H5 C 345 H5 C 345 24.091 16.977 12.864 755 H6 C 345 H6 C 345 25.823 18.275 14.052 756 1H5* C 346 1H5* C 346 31.635 17.416 12.697 757 2H5* C 346 2H5* C 346 32.787 17.863 11.439 758 H4* C 346 H4* C 346 32.561 15.583 11.143 759 H3* C 346 H3* C 346 30.643 16.947 9.248 760 H2* C 346 H2* C 346 30.175 14.841 8.296 761 2HO* C 346 2HO* C 346 32.404 14.015 9.925 762 H1* C 346 H1* C 346 30.225 13.593 10.909 763 1H4 C 346 1H4 C 346 24.128 13.498 8.941 764 2H4 C 346 2H4 C 346 23.926 15.086 9.644 765 H5 C 346 H5 C 346 25.697 16.360 10.550 766 H6 C 346 H6 C 346 28.122 16.422 11.008 767 1H5* G 347 1H5* G 347 34.160 15.298 6.850 768 2H5* G 347 2H5* G 347 34.252 16.055 5.260 769 H4* G 347 H4* G 347 33.980 13.599 5.177 770 H3* G 347 H3* G 347 31.951 15.396 3.885 771 H2* G 347 H2* G 347 30.796 13.497 3.030 772 2HO* G 347 2HO* G 347 32.883 12.424 2.718 773 H1* G 347 H1* G 347 30.775 12.202 5.521 774 H8 G 347 H8 G 347 30.095 15.622 6.479 775 H1 G 347 H1 G 347 25.021 12.997 3.437 776 1H2 G 347 1H2 G 347 25.605 11.252 2.504 777 2H2 G 347 2H2 G 347 27.226 10.599 2.539 778 1H5* G 348 1H5* G 348 33.338 13.820 -0.063 779 2H5* G 348 2H5* G 348 32.676 15.064 -1.123 780 H4* G 348 H4* G 348 31.518 12.724 -0.889 781 H3* G 348 H3* G 348 30.137 15.399 -1.091 782 H2* G 348 H2* G 348 28.060 14.254 -1.229 783 2HO* G 348 2HO* G 348 29.495 11.789 -1.075 784 H1* G 348 H1* G 348 28.756 12.527 0.922 785 H8 G 348 H8 G 348 29.718 15.761 2.180 786 H1 G 348 H1 G 348 23.275 15.209 1.926 787 1H2 G 348 1H2 G 348 22.768 13.580 0.769 788 2H2 G 348 2H2 G 348 23.917 12.520 -0.016 789 1H5* C 349 1H5* C 349 27.224 13.721 -3.126 790 2H5* C 349 2H5* C 349 27.394 14.462 -4.717 791 H4* C 349 H4* C 349 25.220 14.982 -3.995 792 H3* C 349 H3* C 349 27.098 17.313 -3.730 793 H2* C 349 H2* C 349 25.348 18.675 -2.941 794 2HO* C 349 2HO* C 349 23.643 16.446 -3.584 795 H1* C 349 H1* C 349 24.276 16.506 -1.354 796 1H4 C 349 1H4 C 349 26.688 20.724 2.810 797 2H4 C 349 2H4 C 349 28.261 19.992 2.586 798 H5 C 349 H5 C 349 28.716 18.312 0.991 799 H6 C 349 H6 C 349 27.763 16.905 -0.801 800 1H5* C 350 1H5* C 350 24.568 18.679 -7.307 801 2H5* C 350 2H5* C 350 25.530 19.917 -8.115 802 H4* C 350 H4* C 350 23.437 20.710 -6.959 803 H3* C 350 H3* C 350 26.137 21.924 -6.477 804 H2* C 350 H2* C 350 25.194 23.521 -4.998 805 2HO* C 350 2HO* C 350 23.301 23.620 -6.433 806 H1* C 350 H1* C 350 23.649 21.517 -3.677 807 1H4 C 350 1H4 C 350 28.552 22.755 0.235 808 2H4 C 350 2H4 C 350 29.538 21.645 -0.689 809 H5 C 350 H5 C 350 28.828 20.603 -2.686 810 H6 C 350 H6 C 350 26.976 20.368 -4.303 811 1H5* G 351 1H5* G 351 24.183 25.485 -7.958 812 2H5* G 351 2H5* G 351 25.082 25.976 -9.393 813 H4* G 351 H4* G 351 25.084 27.860 -8.014 814 H3* G 351 H3* G 351 27.692 26.391 -7.899 815 H2* G 351 H2* G 351 28.577 27.986 -6.380 816 2HO* G 351 2HO* G 351 26.064 29.287 -6.919 817 H1* G 351 H1* G 351 26.369 27.912 -4.683 818 H8 G 351 H8 G 351 27.321 24.607 -6.277 819 H1 G 351 H1 G 351 30.186 25.786 -0.596 820 1H2 G 351 1H2 G 351 29.758 27.711 0.005 821 2H2 G 351 2H2 G 351 28.770 28.839 -0.896 822 1H5* C 352 1H5* C 352 28.676 30.362 -8.921 823 2H5* C 352 2H5* C 352 30.061 30.509 -10.003 824 H4* C 352 H4* C 352 30.475 31.581 -7.850 825 H3* C 352 H3* C 352 32.181 29.244 -8.645 826 H2* C 352 H2* C 352 33.471 29.467 -6.671 827 2HO* C 352 2HO* C 352 31.846 31.808 -6.243 828 H1* C 352 H1* C 352 31.158 29.792 -5.045 829 1H4 C 352 1H4 C 352 32.878 23.719 -4.123 830 2H4 C 352 2H4 C 352 32.208 23.294 -5.682 831 H5 C 352 H5 C 352 31.329 24.867 -7.209 832 H6 C 352 H6 C 352 30.872 27.258 -7.619 833 1H5* A 353 1H5* A 353 34.660 32.973 -9.529 834 2H5* A 353 2H5* A 353 35.726 32.749 -10.916 835 H4* A 353 H4* A 353 37.061 32.875 -8.938 836 H3* A 353 H3* A 353 36.918 30.164 -10.220 837 H2* A 353 H2* A 353 38.447 29.304 -8.622 838 2HO* A 353 2HO* A 353 38.557 32.079 -7.859 839 H1* A 353 H1* A 353 37.080 30.447 -6.447 840 H8 A 353 H8 A 353 35.170 28.870 -9.352 841 1H6 A 353 1H6 A 353 34.741 23.817 -5.714 842 2H6 A 353 2H6 A 353 34.245 24.510 -7.241 843 H2 A 353 H2 A 353 37.278 26.815 -3.636 844 1H5* A 354 1H5* A 354 40.791 31.140 -9.432 845 2H5* A 354 2H5* A 354 41.984 30.743 -10.669 846 H4* A 354 H4* A 354 42.709 29.694 -8.688 847 H3* A 354 H3* A 354 41.487 27.769 -10.645 848 H2* A 354 H2* A 354 42.003 25.957 -9.204 849 2HO* A 354 2HO* A 354 43.251 26.706 -7.189 850 H1* A 354 H1* A 354 41.025 27.312 -6.917 851 H8 A 354 H8 A 354 38.784 27.748 -9.876 852 1H6 A 354 1H6 A 354 35.996 22.438 -8.148 853 2H6 A 354 2H6 A 354 35.891 23.805 -9.234 854 H2 A 354 H2 A 354 39.654 22.955 -5.679 855 1H5* C 355 1H5* C 355 45.298 26.085 -10.092 856 2H5* C 355 2H5* C 355 46.006 25.604 -11.633 857 H4* C 355 H4* C 355 45.865 23.654 -10.310 858 H3* C 355 H3* C 355 43.721 23.743 -12.431 859 H2* C 355 H2* C 355 43.119 21.523 -11.854 860 2HO* C 355 2HO* C 355 44.752 20.855 -9.903 861 H1* C 355 H1* C 355 43.234 22.106 -9.067 862 1H4 C 355 1H4 C 355 37.016 22.107 -10.553 863 2H4 C 355 2H4 C 355 37.169 23.764 -11.090 864 H5 C 355 H5 C 355 39.224 24.921 -11.221 865 H6 C 355 H6 C 355 41.663 24.770 -10.865 866 1H5* C 356 1H5* C 356 46.759 20.780 -13.372 867 2H5* C 356 2H5* C 356 46.733 19.990 -14.949 868 H4* C 356 H4* C 356 46.044 18.478 -13.159 869 H3* C 356 H3* C 356 44.013 19.176 -15.269 870 H2* C 356 H2* C 356 42.524 17.577 -14.330 871 2HO* C 356 2HO* C 356 43.494 16.309 -12.489 872 H1* C 356 H1* C 356 42.970 18.520 -11.702 873 1H4 C 356 1H4 C 356 37.511 21.307 -13.487 874 2H4 C 356 2H4 C 356 38.422 22.493 -14.395 875 H5 C 356 H5 C 356 40.766 22.419 -14.674 876 H6 C 356 H6 C 356 42.834 21.176 -14.145 877 1H5* C 357 1H5* C 357 44.659 15.431 -14.906 878 2H5* C 357 2H5* C 357 45.576 14.393 -15.996 879 H4* C 357 H4* C 357 43.931 12.935 -15.486 880 H3* C 357 H3* C 357 42.911 14.513 -17.809 881 H2* C 357 H2* C 357 40.791 13.465 -17.700 882 2HO* C 357 2HO* C 357 41.492 11.904 -15.469 883 H1* C 357 H1* C 357 40.406 13.863 -15.010 884 1H4 C 357 1H4 C 357 38.193 19.204 -17.747 885 2H4 C 357 2H4 C 357 39.787 19.908 -17.594 886 H5 C 357 H5 C 357 41.683 18.721 -16.837 887 H6 C 357 H6 C 357 42.525 16.544 -16.032 888 1H5* U 358 1H5* U 358 40.630 11.205 -18.305 889 2H5* U 358 2H5* U 358 41.239 10.488 -19.797 890 H4* U 358 H4* U 358 38.956 10.694 -20.171 891 H3* U 358 H3* U 358 40.398 13.019 -21.436 892 H2* U 358 H2* U 358 38.341 13.730 -22.391 893 2HO* U 358 2HO* U 358 37.764 11.471 -22.756 894 H1* U 358 H1* U 358 36.953 13.383 -19.942 895 H3 U 358 H3 U 358 36.716 17.864 -20.327 896 H5 U 358 H5 U 358 40.801 17.173 -19.715 897 H6 U 358 H6 U 358 40.313 14.773 -19.848 898 1H5* G 359 1H5* G 359 38.626 10.261 -24.089 899 2H5* G 359 2H5* G 359 39.011 10.086 -25.802 900 H4* G 359 H4* G 359 36.746 10.842 -25.572 901 H3* G 359 H3* G 359 38.661 12.891 -26.674 902 H2* G 359 H2* G 359 36.823 14.334 -27.100 903 2HO* G 359 2HO* G 359 35.174 13.051 -27.726 904 H1* G 359 H1* G 359 35.700 13.905 -24.548 905 H8 G 359 H8 G 359 39.361 14.233 -24.148 906 H1 G 359 H1 G 359 36.398 19.942 -24.866 907 1H2 G 359 1H2 G 359 34.451 19.636 -25.471 908 2H2 G 359 2H2 G 359 33.728 18.066 -25.744 909 1H5* G 360 1H5* G 360 36.436 11.009 -30.007 910 2H5* G 360 2H5* G 360 37.182 10.969 -31.604 911 H4* G 360 H4* G 360 35.377 12.542 -31.625 912 H3* G 360 H3* G 360 38.121 13.782 -31.754 913 H2* G 360 H2* G 360 37.111 15.897 -32.134 914 2HO* G 360 2HO* G 360 34.688 14.337 -32.198 915 H1* G 360 H1* G 360 35.235 15.540 -30.056 916 H8 G 360 H8 G 360 38.609 14.315 -29.041 917 H1 G 360 H1 G 360 37.871 20.706 -28.341 918 1H2 G 360 1H2 G 360 36.120 21.301 -29.253 919 2H2 G 360 2H2 G 360 35.015 20.228 -30.084 920 1H5* G 361 1H5* G 361 36.411 13.526 -35.855 921 2H5* G 361 2H5* G 361 37.530 13.483 -37.218 922 H4* G 361 H4* G 361 36.490 15.604 -37.254 923 H3* G 361 H3* G 361 39.331 15.672 -36.299 924 H2* G 361 H2* G 361 39.240 18.039 -36.100 925 2HO* G 361 2HO* G 361 36.620 18.427 -36.761 926 H1* G 361 H1* G 361 36.776 17.951 -34.715 927 H8 G 361 H8 G 361 39.081 15.286 -33.506 928 H1 G 361 H1 G 361 40.210 21.065 -30.823 929 1H2 G 361 1H2 G 361 39.129 22.511 -31.821 930 2H2 G 361 2H2 G 361 38.075 22.203 -33.182 931 1H5* A 362 1H5* A 362 38.581 17.501 -40.079 932 2H5* A 362 2H5* A 362 39.734 17.573 -41.411 933 H4* A 362 H4* A 362 39.181 19.803 -40.884 934 H3* A 362 H3* A 362 41.900 19.009 -39.883 935 H2* A 362 H2* A 362 42.277 21.228 -39.128 936 2HO* A 362 2HO* A 362 40.834 22.849 -39.879 937 H1* A 362 H1* A 362 39.819 21.425 -37.830 938 H8 A 362 H8 A 362 40.914 17.947 -37.316 939 1H6 A 362 1H6 A 362 44.533 19.999 -32.664 940 2H6 A 362 2H6 A 362 43.879 18.566 -33.425 941 H2 A 362 H2 A 362 43.035 23.524 -34.917 942 1H5* G 363 1H5* G 363 42.283 22.994 -41.252 943 2H5* G 363 2H5* G 363 43.889 23.117 -41.972 944 H4* G 363 H4* G 363 43.287 24.472 -39.824 945 H3* G 363 H3* G 363 45.876 23.076 -40.426 946 H2* G 363 H2* G 363 46.785 23.835 -38.372 947 2HO* G 363 2HO* G 363 44.295 25.282 -38.266 948 H1* G 363 H1* G 363 44.593 23.064 -36.848 949 H8 G 363 H8 G 363 44.852 20.451 -39.413 950 H1 G 363 H1 G 363 49.373 19.836 -34.823 951 1H2 G 363 1H2 G 363 49.431 21.551 -33.679 952 2H2 G 363 2H2 G 363 48.407 22.947 -33.927 953 1H5* A 364 1H5* A 364 48.197 25.004 -39.385 954 2H5* A 364 2H5* A 364 47.872 26.653 -38.851 955 H4* A 364 H4* A 364 50.297 25.544 -40.225 956 H3* A 364 H3* A 364 49.753 26.467 -37.575 957 H2* A 364 H2* A 364 50.284 28.683 -38.003 958 2HO* A 364 2HO* A 364 52.040 27.633 -36.860 959 H1* A 364 H1* A 364 51.982 27.640 -40.338 960 H8 A 364 H8 A 364 49.345 29.956 -41.273 961 1H6 A 364 1H6 A 364 53.502 34.604 -41.042 962 2H6 A 364 2H6 A 364 51.893 34.167 -41.569 963 H2 A 364 H2 A 364 55.314 31.023 -39.136 964 1H5* G 365 1H5* G 365 53.468 23.948 -34.757 965 2H5* G 365 2H5* G 365 53.310 25.693 -34.556 966 H4* G 365 H4* G 365 55.669 24.174 -34.692 967 H3* G 365 H3* G 365 54.929 26.920 -34.127 968 H2* G 365 H2* G 365 56.132 27.779 -35.900 969 2HO* G 365 2HO* G 365 57.413 28.039 -33.980 970 H1* G 365 H1* G 365 57.695 25.137 -35.898 971 H8 G 365 H8 G 365 56.285 25.208 -39.034 972 H1 G 365 H1 G 365 61.237 29.375 -39.019 973 1H2 G 365 1H2 G 365 61.753 29.824 -37.074 974 2H2 G 365 2H2 G 365 60.963 29.168 -35.657 975 1H5* G 366 1H5* G 366 54.268 24.707 -30.104 976 2H5* G 366 2H5* G 366 54.975 24.042 -31.576 977 H4* G 366 H4* G 366 52.402 25.201 -32.166 978 H3* G 366 H3* G 366 52.475 23.353 -29.783 979 H2* G 366 H2* G 366 50.416 22.417 -30.495 980 2HO* G 366 2HO* G 366 49.154 23.882 -31.479 981 H1* G 366 H1* G 366 51.306 22.296 -33.207 982 H8 G 366 H8 G 366 50.736 19.826 -33.183 983 H1 G 366 H1 G 366 54.794 18.664 -28.277 984 1H2 G 366 1H2 G 366 55.546 20.448 -27.568 985 2H2 G 366 2H2 G 366 55.139 22.025 -28.208 986 1H5* U 367 1H5* U 367 49.620 27.405 -28.567 987 2H5* U 367 2H5* U 367 48.356 26.807 -27.493 988 H4* U 367 H4* U 367 47.836 28.276 -29.646 989 H3* U 367 H3* U 367 46.198 26.090 -28.394 990 H2* U 367 H2* U 367 44.517 26.393 -30.044 991 2HO* U 367 2HO* U 367 46.217 28.587 -30.822 992 H1* U 367 H1* U 367 46.311 26.357 -32.176 993 H3 U 367 H3 U 367 44.445 22.290 -32.684 994 H5 U 367 H5 U 367 46.693 21.877 -29.176 995 H6 U 367 H6 U 367 47.175 24.277 -29.319 996 1H5* C 368 1H5* C 368 44.004 29.027 -29.031 997 2H5* C 368 2H5* C 368 42.829 29.791 -27.961 998 H4* C 368 H4* C 368 41.627 29.023 -29.839 999 H3* C 368 H3* C 368 41.234 27.220 -27.451 1000 H2* C 368 H2* C 368 39.594 26.033 -28.668 1001 2HO* C 368 2HO* C 368 39.801 27.703 -30.919 1002 H1* C 368 H1* C 368 41.176 26.113 -31.063 1003 1H4 C 368 1H4 C 368 41.633 20.094 -28.977 1004 2H4 C 368 2H4 C 368 42.823 20.606 -27.802 1005 H5 C 368 H5 C 368 43.428 22.860 -27.440 1006 H6 C 368 H6 C 368 43.038 25.200 -28.122 1007 1H5* C 369 1H5* C 369 37.964 29.317 -28.402 1008 2H5* C 369 2H5* C 369 36.727 30.063 -27.390 1009 H4* C 369 H4* C 369 35.497 28.408 -28.352 1010 H3* C 369 H3* C 369 36.681 27.168 -25.868 1011 H2* C 369 H2* C 369 35.424 25.208 -26.307 1012 2HO* C 369 2HO* C 369 33.616 26.576 -26.975 1013 H1* C 369 H1* C 369 36.075 25.264 -29.077 1014 1H4 C 369 1H4 C 369 40.153 20.888 -26.927 1015 2H4 C 369 2H4 C 369 40.850 22.038 -25.808 1016 H5 C 369 H5 C 369 40.080 24.254 -25.548 1017 H6 C 369 H6 C 369 38.433 25.932 -26.307 1018 1H5* C 370 1H5* C 370 32.541 27.848 -25.749 1019 2H5* C 370 2H5* C 370 31.523 27.950 -24.313 1020 H4* C 370 H4* C 370 30.866 25.987 -25.420 1021 H3* C 370 H3* C 370 32.602 25.421 -23.034 1022 H2* C 370 H2* C 370 32.345 23.089 -23.379 1023 2HO* C 370 2HO* C 370 30.440 22.564 -24.285 1024 H1* C 370 H1* C 370 32.826 23.339 -26.174 1025 1H4 C 370 1H4 C 370 38.402 21.230 -23.928 1026 2H4 C 370 2H4 C 370 38.682 22.766 -23.141 1027 H5 C 370 H5 C 370 37.120 24.538 -23.117 1028 H6 C 370 H6 C 370 34.880 25.276 -23.849 1029 1H5* A 371 1H5* A 371 28.189 24.482 -21.489 1030 2H5* A 371 2H5* A 371 28.345 24.257 -19.747 1031 H4* A 371 H4* A 371 27.680 22.228 -21.104 1032 H3* A 371 H3* A 371 29.945 22.228 -19.133 1033 H2* A 371 H2* A 371 30.278 19.900 -19.503 1034 2HO* A 371 2HO* A 371 27.937 19.641 -19.726 1035 H1* A 371 H1* A 371 30.327 20.154 -22.274 1036 H8 A 371 H8 A 371 31.980 23.190 -21.012 1037 1H6 A 371 1H6 A 371 37.183 19.815 -20.313 1038 2H6 A 371 2H6 A 371 36.537 21.440 -20.312 1039 H2 A 371 H2 A 371 33.818 17.029 -21.127 1040 1H5* G 372 1H5* G 372 27.285 18.720 -17.943 1041 2H5* G 372 2H5* G 372 27.137 18.974 -16.204 1042 H4* G 372 H4* G 372 27.786 16.700 -16.632 1043 H3* G 372 H3* G 372 29.835 18.446 -15.313 1044 H2* G 372 H2* G 372 31.331 16.605 -15.134 1045 2HO* G 372 2HO* G 372 29.067 15.187 -16.214 1046 H1* G 372 H1* G 372 30.974 15.866 -17.826 1047 H8 G 372 H8 G 372 31.134 19.546 -17.737 1048 H1 G 372 H1 G 372 36.969 16.796 -17.217 1049 1H2 G 372 1H2 G 372 36.749 14.776 -16.867 1050 2H2 G 372 2H2 G 372 35.212 13.950 -16.734 1051 1H5* G 373 1H5* G 373 29.192 15.178 -13.409 1052 2H5* G 373 2H5* G 373 28.694 14.945 -11.733 1053 H4* G 373 H4* G 373 30.526 13.550 -11.928 1054 H3* G 373 H3* G 373 31.352 16.155 -10.699 1055 H2* G 373 H2* G 373 33.595 15.388 -10.500 1056 2HO* G 373 2HO* G 373 32.530 12.943 -11.588 1057 H1* G 373 H1* G 373 33.778 14.556 -13.134 1058 H8 G 373 H8 G 373 31.590 17.522 -13.244 1059 H1 G 373 H1 G 373 37.838 19.068 -12.562 1060 1H2 G 373 1H2 G 373 38.920 17.374 -12.105 1061 2H2 G 373 2H2 G 373 38.238 15.773 -11.931 1062 1H5* G 374 1H5* G 374 32.273 12.882 -8.651 1063 2H5* G 374 2H5* G 374 32.300 12.607 -6.909 1064 H4* G 374 H4* G 374 34.490 12.208 -7.591 1065 H3* G 374 H3* G 374 34.227 14.961 -6.416 1066 H2* G 374 H2* G 374 36.573 15.289 -6.659 1067 2HO* G 374 2HO* G 374 36.890 12.997 -6.132 1068 H1* G 374 H1* G 374 36.585 14.453 -9.326 1069 H8 G 374 H8 G 374 33.458 16.362 -8.753 1070 H1 G 374 H1 G 374 38.616 20.168 -9.634 1071 1H2 G 374 1H2 G 374 40.334 19.028 -9.559 1072 2H2 G 374 2H2 G 374 40.371 17.300 -9.297 1073 1H5* U 375 1H5* U 375 37.719 13.647 -4.448 1074 2H5* U 375 2H5* U 375 37.385 13.845 -2.728 1075 H4* U 375 H4* U 375 39.393 15.009 -3.178 1076 H3* U 375 H3* U 375 37.027 16.800 -2.742 1077 H2* U 375 H2* U 375 38.393 18.724 -2.982 1078 2HO* U 375 2HO* U 375 40.478 16.737 -3.084 1079 H1* U 375 H1* U 375 39.669 17.642 -5.294 1080 H3 U 375 H3 U 375 37.613 21.257 -7.058 1081 H5 U 375 H5 U 375 34.438 18.706 -6.081 1082 H6 U 375 H6 U 375 36.080 17.234 -5.010 1083 1H5* U 376 1H5* U 376 40.228 18.188 0.045 1084 2H5* U 376 2H5* U 376 39.425 18.978 1.402 1085 H4* U 376 H4* U 376 40.959 20.448 0.103 1086 H3* U 376 H3* U 376 38.055 21.179 0.425 1087 H2* U 376 H2* U 376 38.488 23.265 -0.614 1088 2HO* U 376 2HO* U 376 40.485 23.987 -0.171 1089 H1* U 376 H1* U 376 40.022 22.074 -2.678 1090 H3 U 376 H3 U 376 36.288 23.882 -4.626 1091 H5 U 376 H5 U 376 35.056 20.167 -3.136 1092 H6 U 376 H6 U 376 37.226 20.014 -2.003 1093 2H ALA 1 HN ALA 1 75.192 34.382 -30.266 1094 HA ALA 1 HA ALA 1 75.690 36.234 -32.491 1095 1HB ALA 1 1HB ALA 1 74.873 33.393 -33.011 1096 2HB ALA 1 2HB ALA 1 75.847 34.499 -34.009 1097 3HB ALA 1 3HB ALA 1 76.570 33.716 -32.584 1098 H THR 2 HN THR 2 73.408 33.641 -31.338 1099 HA THR 2 HA THR 2 71.228 35.560 -31.801 1100 HB THR 2 HB THR 2 69.919 33.632 -32.741 1101 HG1 THR 2 HG1 THR 2 70.860 31.672 -32.340 1102 1HG2 THR 2 1HG2 THR 2 71.913 35.028 -34.098 1103 2HG2 THR 2 2HG2 THR 2 72.405 33.336 -34.346 1104 3HG2 THR 2 3HG2 THR 2 70.789 33.878 -34.860 1105 H VAL 3 HN VAL 3 69.110 34.599 -30.745 1106 HA VAL 3 HA VAL 3 69.388 32.909 -28.538 1107 HB VAL 3 HB VAL 3 70.797 34.809 -27.751 1108 1HG1 VAL 3 1HG1 VAL 3 68.230 36.299 -28.199 1109 2HG1 VAL 3 2HG1 VAL 3 69.304 36.790 -26.867 1110 3HG1 VAL 3 3HG1 VAL 3 69.908 36.788 -28.541 1111 1HG2 VAL 3 1HG2 VAL 3 68.457 33.661 -26.359 1112 2HG2 VAL 3 2HG2 VAL 3 70.171 33.710 -25.881 1113 3HG2 VAL 3 3HG2 VAL 3 69.131 35.129 -25.610 1114 H VAL 4 HN VAL 4 67.344 32.428 -27.663 1115 HA VAL 4 HA VAL 4 65.139 34.146 -28.474 1116 HB VAL 4 HB VAL 4 65.481 32.491 -30.278 1117 1HG1 VAL 4 1HG1 VAL 4 65.145 30.542 -27.999 1118 2HG1 VAL 4 2HG1 VAL 4 64.721 30.091 -29.668 1119 3HG1 VAL 4 3HG1 VAL 4 66.387 30.580 -29.275 1120 1HG2 VAL 4 1HG2 VAL 4 63.261 32.407 -30.642 1121 2HG2 VAL 4 2HG2 VAL 4 62.946 31.523 -29.129 1122 3HG2 VAL 4 3HG2 VAL 4 63.133 33.293 -29.103 1123 H SER 5 HN SER 5 63.524 34.234 -26.935 1124 HA SER 5 HA SER 5 64.163 33.193 -24.420 1125 1HB SER 5 2HB SER 5 62.473 35.174 -25.433 1126 2HB SER 5 3HB SER 5 61.345 33.992 -24.801 1127 HG SER 5 HG SER 5 63.332 34.270 -22.975 1128 H GLY 6 HN GLY 6 63.068 31.542 -23.169 1129 1HA GLY 6 1HA GLY 6 61.433 29.688 -24.798 1130 2HA GLY 6 2HA GLY 6 62.701 29.146 -23.717 1131 H GLN 7 HN GLN 7 60.133 28.160 -23.349 1132 HA GLN 7 HA GLN 7 59.610 29.168 -20.727 1133 1HB GLN 7 2HB GLN 7 57.218 29.598 -21.090 1134 2HB GLN 7 3HB GLN 7 58.179 30.638 -22.121 1135 1HG GLN 7 2HG GLN 7 57.850 29.035 -24.026 1136 2HG GLN 7 3HG GLN 7 56.863 28.022 -22.993 1137 1HE2 GLN 7 1HE2 GLN 7 55.456 28.548 -24.939 1138 2HE2 GLN 7 2HE2 GLN 7 54.369 29.888 -24.791 1139 H LYS 8 HN LYS 8 58.107 27.692 -19.506 1140 HA LYS 8 HA LYS 8 57.572 25.161 -20.811 1141 1HB LYS 8 2HB LYS 8 59.740 25.573 -18.822 1142 2HB LYS 8 3HB LYS 8 58.709 24.181 -18.559 1143 1HG LYS 8 2HG LYS 8 59.544 24.553 -21.392 1144 2HG LYS 8 3HG LYS 8 60.873 24.247 -20.290 1145 1HD LYS 8 2HD LYS 8 58.604 22.472 -19.721 1146 2HD LYS 8 3HD LYS 8 59.109 22.327 -21.393 1147 1HE LYS 8 2HE LYS 8 60.779 20.968 -20.666 1148 2HE LYS 8 3HE LYS 8 61.546 22.394 -19.995 1149 1HZ LYS 8 1HZ LYS 8 59.452 21.266 -18.388 1150 2HZ LYS 8 2HZ LYS 8 60.778 20.327 -18.550 1151 3HZ LYS 8 3HZ LYS 8 60.915 21.837 -17.942 1152 H GLN 9 HN GLN 9 56.113 23.790 -19.496 1153 HA GLN 9 HA GLN 9 54.896 25.210 -17.292 1154 1HB GLN 9 2HB GLN 9 52.628 24.947 -18.194 1155 2HB GLN 9 3HB GLN 9 53.605 25.889 -19.303 1156 1HG GLN 9 2HG GLN 9 54.073 23.743 -20.600 1157 2HG GLN 9 3HG GLN 9 52.926 22.923 -19.558 1158 1HE2 GLN 9 1HE2 GLN 9 53.343 24.552 -22.407 1159 2HE2 GLN 9 2HE2 GLN 9 51.707 24.988 -22.779 1160 H ASP 10 HN ASP 10 53.438 23.763 -15.984 1161 HA ASP 10 HA ASP 10 53.776 20.961 -16.574 1162 1HB ASP 10 2HB ASP 10 55.475 22.247 -14.751 1163 2HB ASP 10 3HB ASP 10 54.229 21.581 -13.714 1164 H ARG 11 HN ARG 11 52.319 19.626 -15.033 1165 HA ARG 11 HA ARG 11 50.180 21.315 -14.010 1166 1HB ARG 11 2HB ARG 11 50.030 18.751 -15.647 1167 2HB ARG 11 3HB ARG 11 48.689 19.233 -14.625 1168 1HG ARG 11 2HG ARG 11 47.992 20.449 -16.428 1169 2HG ARG 11 3HG ARG 11 49.217 21.605 -15.943 1170 1HD ARG 11 2HD ARG 11 50.183 21.284 -17.977 1171 2HD ARG 11 3HD ARG 11 50.676 19.701 -17.411 1172 HE ARG 11 HE ARG 11 49.018 18.725 -18.748 1173 1HH1 ARG 11 2HH2 ARG 11 48.342 22.160 -18.387 1174 2HH1 ARG 11 1HH2 ARG 11 47.051 22.157 -19.543 1175 1HH2 ARG 11 2HH1 ARG 11 47.316 18.721 -20.272 1176 2HH2 ARG 11 1HH1 ARG 11 46.464 20.188 -20.622 1177 H GLN 12 HN GLN 12 51.640 17.981 -13.961 1178 HA GLN 12 HA GLN 12 52.012 16.568 -12.357 1179 1HB GLN 12 2HB GLN 12 52.243 19.176 -10.984 1180 2HB GLN 12 3HB GLN 12 51.872 17.858 -9.891 1181 1HG GLN 12 2HG GLN 12 53.800 16.625 -11.336 1182 2HG GLN 12 3HG GLN 12 54.311 18.279 -11.603 1183 1HE2 GLN 12 1HE2 GLN 12 55.581 16.126 -10.108 1184 2HE2 GLN 12 2HE2 GLN 12 55.822 16.688 -8.488 1185 H GLY 13 HN GLY 13 51.005 15.443 -10.352 1186 1HA GLY 13 1HA GLY 13 48.095 15.592 -10.648 1187 2HA GLY 13 2HA GLY 13 49.028 14.279 -9.959 1188 H GLY 14 HN GLY 14 48.248 14.070 -7.881 1189 1HA GLY 14 1HA GLY 14 48.928 16.073 -5.967 1190 2HA GLY 14 2HA GLY 14 47.204 16.048 -6.277 1191 H GLU 15 HN GLU 15 47.816 15.424 -3.749 1192 HA GLU 15 HA GLU 15 46.986 12.723 -3.594 1193 1HB GLU 15 2HB GLU 15 49.837 13.410 -3.143 1194 2HB GLU 15 3HB GLU 15 49.111 12.510 -1.825 1195 1HG GLU 15 2HG GLU 15 48.956 10.589 -3.059 1196 2HG GLU 15 3HG GLU 15 48.360 11.433 -4.474 1197 H ARG 16 HN ARG 16 47.092 12.115 -0.994 1198 HA ARG 16 HA ARG 16 46.537 14.537 0.476 1199 1HB ARG 16 2HB ARG 16 44.424 13.526 1.401 1200 2HB ARG 16 3HB ARG 16 44.323 13.832 -0.321 1201 1HG ARG 16 2HG ARG 16 45.070 11.382 -0.667 1202 2HG ARG 16 3HG ARG 16 44.813 11.154 1.051 1203 1HD ARG 16 2HD ARG 16 42.488 11.382 0.885 1204 2HD ARG 16 3HD ARG 16 42.579 12.434 -0.513 1205 HE ARG 16 HE ARG 16 43.548 10.104 -1.552 1206 1HH1 ARG 16 2HH2 ARG 16 40.705 10.767 0.410 1207 2HH1 ARG 16 1HH2 ARG 16 39.784 9.458 -0.254 1208 1HH2 ARG 16 2HH1 ARG 16 42.334 8.378 -2.429 1209 2HH2 ARG 16 1HH1 ARG 16 40.717 8.090 -1.880 1210 H ARG 17 HN ARG 17 47.451 14.422 2.522 1211 HA ARG 17 HA ARG 17 47.402 12.197 4.107 1212 1HB ARG 17 2HB ARG 17 49.360 11.891 2.085 1213 2HB ARG 17 3HB ARG 17 50.277 12.383 3.495 1214 1HG ARG 17 2HG ARG 17 49.723 10.470 4.709 1215 2HG ARG 17 3HG ARG 17 48.170 10.281 3.920 1216 1HD ARG 17 2HD ARG 17 49.887 9.906 1.783 1217 2HD ARG 17 3HD ARG 17 50.850 9.259 3.097 1218 HE ARG 17 HE ARG 17 48.051 8.333 3.055 1219 1HH1 ARG 17 2HH2 ARG 17 51.363 7.699 2.045 1220 2HH1 ARG 17 1HH2 ARG 17 51.100 6.005 1.803 1221 1HH2 ARG 17 2HH1 ARG 17 47.705 6.096 2.735 1222 2HH2 ARG 17 1HH1 ARG 17 49.005 5.086 2.198 1223 H ARG 18 HN ARG 18 47.049 13.650 5.812 1224 HA ARG 18 HA ARG 18 48.806 15.890 6.064 1225 1HB ARG 18 2HB ARG 18 46.440 14.908 7.732 1226 2HB ARG 18 3HB ARG 18 47.343 16.359 8.122 1227 1HG ARG 18 2HG ARG 18 46.247 17.566 6.538 1228 2HG ARG 18 3HG ARG 18 46.605 16.381 5.297 1229 1HD ARG 18 2HD ARG 18 44.612 15.245 7.060 1230 2HD ARG 18 3HD ARG 18 44.090 16.861 6.624 1231 HE ARG 18 HE ARG 18 44.823 15.918 4.188 1232 1HH1 ARG 18 2HH2 ARG 18 42.928 14.405 6.737 1233 2HH1 ARG 18 1HH2 ARG 18 41.993 13.440 5.644 1234 1HH2 ARG 18 2HH1 ARG 18 43.591 14.645 2.745 1235 2HH2 ARG 18 1HH1 ARG 18 42.372 13.577 3.359 1236 H SER 19 HN SER 19 50.238 13.463 6.258 1237 HA SER 19 HA SER 19 50.506 12.155 8.518 1238 1HB SER 19 2HB SER 19 52.144 12.677 6.304 1239 2HB SER 19 3HB SER 19 53.145 13.151 7.662 1240 HG SER 19 HG SER 19 51.730 10.643 7.694 1241 H GLN 20 HN GLN 20 51.574 15.548 7.951 1242 HA GLN 20 HA GLN 20 51.616 15.895 10.811 1243 1HB GLN 20 2HB GLN 20 54.033 15.830 9.139 1244 2HB GLN 20 3HB GLN 20 53.875 17.357 9.986 1245 1HG GLN 20 2HG GLN 20 54.554 16.377 11.911 1246 2HG GLN 20 3HG GLN 20 53.176 15.295 11.858 1247 1HE2 GLN 20 1HE2 GLN 20 53.950 13.374 12.351 1248 2HE2 GLN 20 2HE2 GLN 20 55.260 12.553 11.570 1249 H LEU 21 HN LEU 21 49.567 16.768 9.308 1250 HA LEU 21 HA LEU 21 50.201 19.537 8.593 1251 1HB LEU 21 2HB LEU 21 48.988 17.721 7.081 1252 2HB LEU 21 3HB LEU 21 47.580 18.262 7.973 1253 HG LEU 21 HG LEU 21 49.334 19.827 6.091 1254 1HD1 LEU 21 1HD1 LEU 21 46.322 19.558 6.243 1255 2HD1 LEU 21 2HD1 LEU 21 47.283 20.294 4.938 1256 3HD1 LEU 21 3HD1 LEU 21 47.379 18.541 5.234 1257 1HD2 LEU 21 1HD2 LEU 21 49.130 21.200 8.107 1258 2HD2 LEU 21 2HD2 LEU 21 48.203 21.889 6.751 1259 3HD2 LEU 21 3HD2 LEU 21 47.360 21.020 8.056 1260 H ASP 22 HN ASP 22 50.306 20.417 10.706 1261 HA ASP 22 HA ASP 22 48.221 19.909 12.535 1262 1HB ASP 22 2HB ASP 22 50.692 21.563 12.395 1263 2HB ASP 22 3HB ASP 22 49.430 22.254 13.396 1264 H ARG 23 HN ARG 23 46.728 21.671 13.375 1265 HA ARG 23 HA ARG 23 45.451 22.943 11.270 1266 1HB ARG 23 2HB ARG 23 44.536 22.214 13.605 1267 2HB ARG 23 3HB ARG 23 45.175 23.732 14.205 1268 1HG ARG 23 2HG ARG 23 42.819 24.044 13.616 1269 2HG ARG 23 3HG ARG 23 43.807 24.969 12.503 1270 1HD ARG 23 2HD ARG 23 43.041 23.789 10.714 1271 2HD ARG 23 3HD ARG 23 43.431 22.260 11.475 1272 HE ARG 23 HE ARG 23 41.176 22.938 12.840 1273 1HH1 ARG 23 2HH2 ARG 23 41.885 22.990 9.393 1274 2HH1 ARG 23 1HH2 ARG 23 40.243 22.703 8.921 1275 1HH2 ARG 23 2HH1 ARG 23 39.009 22.560 12.218 1276 2HH2 ARG 23 1HH1 ARG 23 38.596 22.457 10.539 1277 H ASP 24 HN ASP 24 48.321 23.745 12.927 1278 HA ASP 24 HA ASP 24 47.990 26.533 12.140 1279 1HB ASP 24 2HB ASP 24 49.663 25.440 14.451 1280 2HB ASP 24 3HB ASP 24 49.552 27.127 13.994 1281 H GLN 25 HN GLN 25 49.010 24.154 10.626 1282 HA GLN 25 HA GLN 25 51.803 24.973 10.408 1283 1HB GLN 25 2HB GLN 25 50.545 22.286 10.537 1284 2HB GLN 25 3HB GLN 25 51.722 22.461 9.251 1285 1HG GLN 25 2HG GLN 25 53.421 23.262 10.872 1286 2HG GLN 25 3HG GLN 25 52.246 23.193 12.170 1287 1HE2 GLN 25 1HE2 GLN 25 54.513 21.858 12.511 1288 2HE2 GLN 25 2HE2 GLN 25 54.302 20.143 12.387 1289 H CYS 26 HN CYS 26 52.621 24.092 8.031 1290 HA CYS 26 HA CYS 26 50.762 25.386 6.200 1291 1HB CYS 26 2HB CYS 26 53.077 26.278 6.356 1292 2HB CYS 26 3HB CYS 26 53.703 24.732 5.822 1293 H ALA 27 HN ALA 27 49.782 24.218 4.538 1294 HA ALA 27 HA ALA 27 50.258 21.346 4.572 1295 1HB ALA 27 1HB ALA 27 48.106 23.063 3.269 1296 2HB ALA 27 2HB ALA 27 48.148 21.283 3.266 1297 3HB ALA 27 3HB ALA 27 47.955 22.167 4.800 1298 H TYR 28 HN TYR 28 52.134 23.473 3.386 1299 HA TYR 28 HA TYR 28 52.154 22.359 0.661 1300 1HB TYR 28 2HB TYR 28 51.557 24.875 1.051 1301 2HB TYR 28 3HB TYR 28 53.171 25.072 1.706 1302 HD1 TYR 28 HD1 TYR 28 51.190 25.220 -1.231 1303 HD2 TYR 28 HD2 TYR 28 55.151 24.342 0.130 1304 HE1 TYR 28 HE1 TYR 28 52.096 25.645 -3.568 1305 HE2 TYR 28 HE2 TYR 28 56.042 24.771 -2.212 1306 HH TYR 28 HH TYR 28 54.926 24.600 -4.621 1307 H CYS 29 HN CYS 29 54.275 24.105 3.053 1308 HA CYS 29 HA CYS 29 56.462 22.416 2.125 1309 1HB CYS 29 2HB CYS 29 57.932 24.052 3.261 1310 2HB CYS 29 3HB CYS 29 56.938 24.785 2.019 1311 H LYS 30 HN LYS 30 54.224 23.058 4.760 1312 HA LYS 30 HA LYS 30 53.810 21.521 6.414 1313 1HB LYS 30 2HB LYS 30 56.743 20.762 6.337 1314 2HB LYS 30 3HB LYS 30 55.475 19.971 7.250 1315 1HG LYS 30 2HG LYS 30 54.928 20.240 4.328 1316 2HG LYS 30 3HG LYS 30 56.284 19.204 4.728 1317 1HD LYS 30 2HD LYS 30 54.952 17.595 5.695 1318 2HD LYS 30 3HD LYS 30 53.879 18.771 6.429 1319 1HE LYS 30 2HE LYS 30 52.387 18.092 4.830 1320 2HE LYS 30 3HE LYS 30 53.284 19.161 3.771 1321 1HZ LYS 30 1HZ LYS 30 53.812 16.293 4.134 1322 2HZ LYS 30 2HZ LYS 30 53.097 16.978 2.835 1323 3HZ LYS 30 3HZ LYS 30 54.667 17.286 3.160 1324 H GLU 31 HN GLU 31 56.405 23.876 6.130 1325 HA GLU 31 HA GLU 31 57.250 24.308 8.593 1326 1HB GLU 31 2HB GLU 31 56.460 26.194 6.380 1327 2HB GLU 31 3HB GLU 31 56.919 26.884 7.925 1328 1HG GLU 31 2HG GLU 31 58.965 26.762 6.715 1329 2HG GLU 31 3HG GLU 31 59.033 25.392 7.806 1330 H LYS 32 HN LYS 32 56.542 25.219 10.559 1331 HA LYS 32 HA LYS 32 53.641 25.421 10.775 1332 1HB LYS 32 2HB LYS 32 54.722 23.849 12.273 1333 2HB LYS 32 3HB LYS 32 55.823 25.083 12.853 1334 1HG LYS 32 2HG LYS 32 54.106 26.262 14.003 1335 2HG LYS 32 3HG LYS 32 52.829 25.524 13.058 1336 1HD LYS 32 2HD LYS 32 53.031 23.426 14.200 1337 2HD LYS 32 3HD LYS 32 54.608 23.830 14.848 1338 1HE LYS 32 2HE LYS 32 53.381 25.788 16.085 1339 2HE LYS 32 3HE LYS 32 51.901 24.936 15.688 1340 1HZ LYS 32 1HZ LYS 32 52.806 24.306 17.834 1341 2HZ LYS 32 2HZ LYS 32 52.731 23.020 16.828 1342 3HZ LYS 32 3HZ LYS 32 54.167 23.740 17.129 1343 H GLY 33 HN GLY 33 52.579 27.308 11.273 1344 1HA GLY 33 1HA GLY 33 52.888 29.450 12.541 1345 2HA GLY 33 2HA GLY 33 54.294 29.704 11.525 1346 H HIS 34 HN HIS 34 53.497 28.904 8.995 1347 HA HIS 34 HA HIS 34 51.248 30.716 8.502 1348 1HB HIS 34 2HB HIS 34 52.257 31.348 6.450 1349 2HB HIS 34 3HB HIS 34 53.486 31.473 7.692 1350 HD1 HIS 34 HD1 HIS 34 55.598 30.064 7.424 1351 HD2 HIS 34 HD2 HIS 34 52.597 29.081 4.664 1352 HE1 HIS 34 HE1 HIS 34 56.673 28.485 5.732 1353 H TRP 35 HN TRP 35 49.824 30.147 6.659 1354 HA TRP 35 HA TRP 35 49.500 27.251 6.555 1355 1HB TRP 35 2HB TRP 35 47.723 29.608 6.304 1356 2HB TRP 35 3HB TRP 35 47.337 28.238 5.282 1357 HD1 TRP 35 HD1 TRP 35 48.488 28.262 9.028 1358 HE1 TRP 35 HE1 TRP 35 46.799 26.884 10.516 1359 HE3 TRP 35 HE3 TRP 35 45.250 27.164 5.264 1360 HZ2 TRP 35 HZ2 TRP 35 44.354 25.520 9.964 1361 HZ3 TRP 35 HZ3 TRP 35 43.237 25.804 5.824 1362 HH2 TRP 35 HH2 TRP 35 42.765 24.989 8.079 1363 H ALA 36 HN ALA 36 48.745 26.403 4.307 1364 HA ALA 36 HA ALA 36 50.796 26.837 2.477 1365 1HB ALA 36 1HB ALA 36 48.046 25.753 1.801 1366 2HB ALA 36 2HB ALA 36 49.623 25.286 1.117 1367 3HB ALA 36 3HB ALA 36 49.206 24.831 2.787 1368 H LYS 37 HN LYS 37 47.564 28.320 2.880 1369 HA LYS 37 HA LYS 37 47.545 29.595 0.363 1370 1HB LYS 37 2HB LYS 37 45.989 29.843 2.920 1371 2HB LYS 37 3HB LYS 37 45.820 31.079 1.689 1372 1HG LYS 37 2HG LYS 37 44.184 29.614 0.945 1373 2HG LYS 37 3HG LYS 37 45.551 28.957 0.067 1374 1HD LYS 37 2HD LYS 37 45.820 27.590 2.426 1375 2HD LYS 37 3HD LYS 37 44.084 27.829 2.420 1376 1HE LYS 37 2HE LYS 37 44.273 26.998 -0.109 1377 2HE LYS 37 3HE LYS 37 45.794 26.315 0.432 1378 1HZ LYS 37 1HZ LYS 37 43.212 25.829 1.749 1379 2HZ LYS 37 2HZ LYS 37 43.913 24.810 0.684 1380 3HZ LYS 37 3HZ LYS 37 44.634 25.116 2.116 1381 H ASP 38 HN ASP 38 49.566 29.981 3.050 1382 HA ASP 38 HA ASP 38 50.168 32.683 2.146 1383 1HB ASP 38 2HB ASP 38 49.138 32.062 4.652 1384 2HB ASP 38 3HB ASP 38 50.862 32.032 4.966 1385 H CYS 39 HN CYS 39 51.229 29.937 1.452 1386 HA CYS 39 HA CYS 39 53.692 29.648 2.852 1387 1HB CYS 39 2HB CYS 39 52.402 27.742 1.847 1388 2HB CYS 39 3HB CYS 39 52.826 28.338 0.255 1389 HA PRO 40 HA PRO 40 55.822 32.510 0.319 1390 1HB PRO 40 2HB PRO 40 58.363 32.060 1.219 1391 2HB PRO 40 3HB PRO 40 57.224 33.105 2.045 1392 1HG PRO 40 2HG PRO 40 58.103 30.378 2.775 1393 2HG PRO 40 3HG PRO 40 57.320 31.585 3.776 1394 1HD PRO 40 2HD PRO 40 56.096 29.268 2.607 1395 2HD PRO 40 3HD PRO 40 55.291 30.535 3.511 1396 H LYS 41 HN LYS 41 55.720 29.303 -0.100 1397 HA LYS 41 HA LYS 41 57.834 29.224 -2.080 1398 1HB LYS 41 2HB LYS 41 56.555 27.336 -0.384 1399 2HB LYS 41 3HB LYS 41 56.193 26.863 -2.032 1400 1HG LYS 41 2HG LYS 41 58.407 26.422 -2.549 1401 2HG LYS 41 3HG LYS 41 59.019 27.710 -1.530 1402 1HD LYS 41 2HD LYS 41 57.929 25.029 -0.549 1403 2HD LYS 41 3HD LYS 41 59.621 25.482 -0.612 1404 1HE LYS 41 2HE LYS 41 58.822 27.550 0.872 1405 2HE LYS 41 3HE LYS 41 57.453 26.515 1.230 1406 1HZ LYS 41 1HZ LYS 41 59.450 24.829 1.576 1407 2HZ LYS 41 2HZ LYS 41 60.204 26.215 1.997 1408 3HZ LYS 41 3HZ LYS 41 58.848 25.754 2.779 1409 H LYS 42 HN LYS 42 54.398 29.840 -1.809 1410 HA LYS 42 HA LYS 42 53.522 29.023 -4.294 1411 1HB LYS 42 2HB LYS 42 52.634 30.858 -2.176 1412 2HB LYS 42 3HB LYS 42 52.074 31.313 -3.773 1413 1HG LYS 42 2HG LYS 42 51.618 28.609 -3.869 1414 2HG LYS 42 3HG LYS 42 51.420 28.885 -2.150 1415 1HD LYS 42 2HD LYS 42 50.068 30.973 -3.707 1416 2HD LYS 42 3HD LYS 42 49.511 29.381 -4.182 1417 1HE LYS 42 2HE LYS 42 49.577 29.158 -1.407 1418 2HE LYS 42 3HE LYS 42 49.110 30.833 -1.622 1419 1HZ LYS 42 1HZ LYS 42 47.419 28.810 -1.742 1420 2HZ LYS 42 2HZ LYS 42 47.161 30.236 -2.494 1421 3HZ LYS 42 3HZ LYS 42 47.757 28.966 -3.331 1422 HA PRO 43 HA PRO 43 55.998 31.752 -6.686 1423 1HB PRO 43 2HB PRO 43 55.676 30.455 -9.070 1424 2HB PRO 43 3HB PRO 43 56.930 30.044 -7.917 1425 1HG PRO 43 2HG PRO 43 54.420 28.602 -8.520 1426 2HG PRO 43 3HG PRO 43 55.857 28.012 -7.710 1427 1HD PRO 43 2HD PRO 43 53.380 28.767 -6.478 1428 2HD PRO 43 3HD PRO 43 54.855 28.287 -5.660 1429 H ARG 44 HN ARG 44 55.699 32.925 -8.913 1430 HA ARG 44 HA ARG 44 52.894 33.384 -9.318 1431 1HB ARG 44 2HB ARG 44 54.052 35.042 -7.531 1432 2HB ARG 44 3HB ARG 44 54.605 35.854 -8.982 1433 1HG ARG 44 2HG ARG 44 51.840 35.261 -9.413 1434 2HG ARG 44 3HG ARG 44 51.955 35.877 -7.776 1435 1HD ARG 44 2HD ARG 44 53.556 37.394 -9.789 1436 2HD ARG 44 3HD ARG 44 51.821 37.466 -10.029 1437 HE ARG 44 HE ARG 44 52.005 37.972 -7.350 1438 1HH1 ARG 44 2HH2 ARG 44 53.750 39.309 -10.098 1439 2HH1 ARG 44 1HH2 ARG 44 54.015 40.845 -9.344 1440 1HH2 ARG 44 2HH1 ARG 44 52.352 40.000 -6.356 1441 2HH2 ARG 44 1HH1 ARG 44 53.215 41.242 -7.202 1442 H GLY 45 HN GLY 45 52.498 33.714 -11.509 1443 1HA GLY 45 1HA GLY 45 54.843 34.368 -13.194 1444 2HA GLY 45 2HA GLY 45 53.615 33.198 -13.637 1445 HA PRO 46 HA PRO 46 54.187 33.806 -15.514 1446 1HB PRO 46 2HB PRO 46 54.879 35.197 -17.762 1447 2HB PRO 46 3HB PRO 46 53.452 34.187 -17.662 1448 1HG PRO 46 2HG PRO 46 53.641 37.136 -17.609 1449 2HG PRO 46 3HG PRO 46 52.242 36.132 -17.935 1450 1HD PRO 46 2HD PRO 46 52.814 37.537 -15.502 1451 2HD PRO 46 3HD PRO 46 51.477 36.441 -15.790 1452 H ARG 47 HN ARG 47 55.145 37.205 -15.605 1453 HA ARG 47 HA ARG 47 57.102 38.125 -15.349 1454 1HB ARG 47 2HB ARG 47 56.317 37.282 -12.963 1455 2HB ARG 47 3HB ARG 47 57.662 36.165 -13.093 1456 1HG ARG 47 2HG ARG 47 59.223 37.809 -12.766 1457 2HG ARG 47 3HG ARG 47 58.403 38.934 -13.831 1458 1HD ARG 47 2HD ARG 47 56.901 39.659 -12.094 1459 2HD ARG 47 3HD ARG 47 57.286 38.289 -11.072 1460 HE ARG 47 HE ARG 47 59.581 40.024 -11.713 1461 1HH1 ARG 47 2HH2 ARG 47 56.981 39.324 -9.448 1462 2HH1 ARG 47 1HH2 ARG 47 57.743 40.141 -8.124 1463 1HH2 ARG 47 2HH1 ARG 47 60.587 41.102 -9.967 1464 2HH2 ARG 47 1HH1 ARG 47 59.807 41.159 -8.421 1465 H GLY 48 HN GLY 48 58.140 37.380 -17.324 1466 1HA GLY 48 1HA GLY 48 60.328 35.489 -16.810 1467 2HA GLY 48 2HA GLY 48 59.238 35.177 -18.146 1468 HA PRO 49 HA PRO 49 61.672 39.158 -19.082 1469 1HB PRO 49 2HB PRO 49 63.872 39.723 -17.563 1470 2HB PRO 49 3HB PRO 49 62.303 40.452 -17.285 1471 1HG PRO 49 2HG PRO 49 63.657 38.322 -15.745 1472 2HG PRO 49 3HG PRO 49 62.319 39.346 -15.261 1473 1HD PRO 49 2HD PRO 49 62.171 36.600 -16.078 1474 2HD PRO 49 3HD PRO 49 60.824 37.658 -15.706 1475 H ARG 50 HN ARG 50 63.919 39.723 -20.072 1476 HA ARG 50 HA ARG 50 65.737 37.660 -20.237 1477 1HB ARG 50 2HB ARG 50 65.260 36.993 -22.686 1478 2HB ARG 50 3HB ARG 50 64.176 36.324 -21.483 1479 1HG ARG 50 2HG ARG 50 62.379 37.655 -22.144 1480 2HG ARG 50 3HG ARG 50 63.403 38.977 -22.668 1481 1HD ARG 50 2HD ARG 50 63.834 36.520 -24.259 1482 2HD ARG 50 3HD ARG 50 62.178 37.088 -24.340 1483 HE ARG 50 HE ARG 50 63.536 39.416 -24.743 1484 1HH1 ARG 50 2HH2 ARG 50 63.947 36.225 -26.168 1485 2HH1 ARG 50 1HH2 ARG 50 64.562 36.833 -27.668 1486 1HH2 ARG 50 2HH1 ARG 50 64.347 40.220 -26.722 1487 2HH2 ARG 50 1HH1 ARG 50 64.791 39.121 -27.986 1488 HA PRO 51 HA PRO 51 67.616 41.193 -22.018 1489 1HB PRO 51 2HB PRO 51 70.148 40.215 -22.330 1490 2HB PRO 51 3HB PRO 51 69.550 40.862 -20.815 1491 1HG PRO 51 2HG PRO 51 69.991 38.040 -21.580 1492 2HG PRO 51 3HG PRO 51 69.810 38.728 -19.978 1493 1HD PRO 51 2HD PRO 51 67.832 37.264 -21.451 1494 2HD PRO 51 3HD PRO 51 67.615 38.050 -19.900 1495 H GLN 52 HN GLN 52 68.898 41.958 -23.954 1496 HA GLN 52 HA GLN 52 68.863 40.104 -26.106 1497 1HB GLN 52 2HB GLN 52 67.267 41.289 -27.532 1498 2HB GLN 52 3HB GLN 52 66.472 40.797 -26.051 1499 1HG GLN 52 2HG GLN 52 66.679 43.053 -25.111 1500 2HG GLN 52 3HG GLN 52 67.675 43.573 -26.456 1501 1HE2 GLN 52 1HE2 GLN 52 65.392 44.909 -25.732 1502 2HE2 GLN 52 2HE2 GLN 52 64.176 44.755 -26.956 1503 H THR 53 HN THR 53 69.710 41.190 -28.175 1504 HA THR 53 HA THR 53 71.071 43.717 -27.671 1505 HB THR 53 HB THR 53 72.580 41.815 -26.897 1506 HG1 THR 53 HG1 THR 53 73.159 43.952 -28.065 1507 1HG2 THR 53 1HG2 THR 53 73.704 40.545 -28.781 1508 2HG2 THR 53 2HG2 THR 53 72.008 40.061 -28.540 1509 3HG2 THR 53 3HG2 THR 53 72.441 41.144 -29.883 1510 H SER 54 HN SER 54 71.948 44.695 -29.654 1511 HA SER 54 HA SER 54 70.389 43.746 -31.927 1512 1HB SER 54 2HB SER 54 71.211 46.533 -31.048 1513 2HB SER 54 3HB SER 54 70.744 46.219 -32.706 1514 HG SER 54 HG SER 54 69.135 46.647 -30.583 1515 H LEU 55 HN LEU 55 71.448 44.468 -34.132 1516 HA LEU 55 HA LEU 55 74.365 44.342 -33.914 1517 1HB LEU 55 2HB LEU 55 73.029 42.113 -34.435 1518 2HB LEU 55 3HB LEU 55 72.996 42.781 -36.055 1519 HG LEU 55 HG LEU 55 75.674 42.980 -35.029 1520 1HD1 LEU 55 1HD1 LEU 55 76.212 40.971 -34.170 1521 2HD1 LEU 55 2HD1 LEU 55 74.487 40.918 -33.733 1522 3HD1 LEU 55 3HD1 LEU 55 75.057 40.095 -35.205 1523 1HD2 LEU 55 1HD2 LEU 55 74.568 42.715 -37.435 1524 2HD2 LEU 55 2HD2 LEU 55 76.241 42.211 -37.093 1525 3HD2 LEU 55 3HD2 LEU 55 74.936 41.001 -37.131 1526 H LEU 56 HN LEU 56 75.295 44.753 -36.290 1527 HA LEU 56 HA LEU 56 73.734 47.004 -37.352 1528 1HB LEU 56 2HB LEU 56 75.881 47.518 -36.130 1529 2HB LEU 56 3HB LEU 56 76.732 46.680 -37.412 1530 HG LEU 56 HG LEU 56 75.179 48.464 -38.828 1531 1HD1 LEU 56 1HD1 LEU 56 75.707 50.675 -37.668 1532 2HD1 LEU 56 2HD1 LEU 56 74.359 49.713 -37.016 1533 3HD1 LEU 56 3HD1 LEU 56 75.936 49.714 -36.188 1534 1HD2 LEU 56 1HD2 LEU 56 77.342 49.783 -39.005 1535 2HD2 LEU 56 2HD2 LEU 56 78.032 48.618 -37.848 1536 3HD2 LEU 56 3HD2 LEU 56 77.425 48.054 -39.423 Start of MODEL 3 1 1H5* G 276 1H5* G 276 72.107 16.712 -17.971 2 2H5* G 276 2H5* G 276 72.224 14.976 -18.259 3 H4* G 276 H4* G 276 72.873 15.445 -15.999 4 H3* G 276 H3* G 276 70.299 13.957 -16.359 5 H2* G 276 H2* G 276 70.022 13.786 -14.000 6 2HO* G 276 2HO* G 276 72.478 13.668 -13.969 7 H1* G 276 H1* G 276 70.420 16.497 -13.556 8 H8 G 276 H8 G 276 68.656 16.357 -16.778 9 H1 G 276 H1 G 276 64.709 15.281 -11.763 10 1H2 G 276 1H2 G 276 65.830 14.963 -10.061 11 2H2 G 276 2H2 G 276 67.578 14.984 -10.002 12 1H5* G 277 1H5* G 277 72.161 11.872 -13.172 13 2H5* G 277 2H5* G 277 72.103 10.161 -13.593 14 H4* G 277 H4* G 277 71.103 10.572 -11.414 15 H3* G 277 H3* G 277 69.258 9.607 -13.597 16 H2* G 277 H2* G 277 67.544 9.346 -11.970 17 2HO* G 277 2HO* G 277 69.216 8.613 -10.442 18 H1* G 277 H1* G 277 68.073 11.892 -10.843 19 H8 G 277 H8 G 277 68.143 12.250 -14.508 20 H1 G 277 H1 G 277 62.118 11.960 -12.164 21 1H2 G 277 1H2 G 277 62.175 11.354 -10.194 22 2H2 G 277 2H2 G 277 63.636 10.981 -9.308 23 1H5* C 278 1H5* C 278 69.397 6.656 -10.598 24 2H5* C 278 2H5* C 278 69.337 4.979 -11.137 25 H4* C 278 H4* C 278 67.504 5.396 -9.647 26 H3* C 278 H3* C 278 66.714 5.019 -12.533 27 H2* C 278 H2* C 278 64.437 4.996 -11.860 28 2HO* C 278 2HO* C 278 64.947 3.776 -9.951 29 H1* C 278 H1* C 278 64.768 7.260 -10.195 30 1H4 C 278 1H4 C 278 62.237 9.503 -15.620 31 2H4 C 278 2H4 C 278 63.844 9.593 -16.305 32 H5 C 278 H5 C 278 65.782 8.784 -15.224 33 H6 C 278 H6 C 278 66.663 7.677 -13.200 34 1H5* G 279 1H5* G 279 65.173 1.809 -10.080 35 2H5* G 279 2H5* G 279 65.173 0.222 -10.848 36 H4* G 279 H4* G 279 62.975 0.633 -10.052 37 H3* G 279 H3* G 279 63.242 0.837 -13.041 38 H2* G 279 H2* G 279 60.882 1.119 -13.216 39 2HO* G 279 2HO* G 279 60.602 -0.386 -11.415 40 H1* G 279 H1* G 279 60.816 3.127 -11.272 41 H8 G 279 H8 G 279 63.916 3.647 -13.208 42 H1 G 279 H1 G 279 58.649 5.770 -16.312 43 1H2 G 279 1H2 G 279 56.958 5.083 -15.351 44 2H2 G 279 2H2 G 279 56.968 4.081 -13.917 45 1H5* G 280 1H5* G 280 60.096 -2.384 -12.734 46 2H5* G 280 2H5* G 280 60.598 -3.493 -14.010 47 H4* G 280 H4* G 280 58.309 -2.702 -14.331 48 H3* G 280 H3* G 280 60.370 -1.985 -16.398 49 H2* G 280 H2* G 280 58.674 -1.003 -17.746 50 2HO* G 280 2HO* G 280 56.697 -1.862 -17.451 51 H1* G 280 H1* G 280 57.612 0.493 -15.642 52 H8 G 280 H8 G 280 61.229 0.561 -15.060 53 H1 G 280 H1 G 280 59.463 4.471 -19.905 54 1H2 G 280 1H2 G 280 57.517 4.059 -20.448 55 2H2 G 280 2H2 G 280 56.513 2.837 -19.701 56 1H5* U 281 1H5* U 281 57.498 -3.303 -18.534 57 2H5* U 281 2H5* U 281 57.815 -4.694 -19.572 58 H4* U 281 H4* U 281 56.912 -3.058 -20.984 59 H3* U 281 H3* U 281 59.918 -3.135 -21.268 60 H2* U 281 H2* U 281 59.727 -1.647 -23.092 61 2HO* U 281 2HO* U 281 57.494 -1.299 -23.893 62 H1* U 281 H1* U 281 57.741 -0.081 -21.745 63 H3 U 281 H3 U 281 61.237 2.748 -22.568 64 H5 U 281 H5 U 281 62.421 0.519 -19.226 65 H6 U 281 H6 U 281 60.449 -0.892 -19.591 66 2HO* AP7 282 2HO* A 282 60.732 -1.214 -28.929 67 H2* AP7 282 H2* A 282 62.054 -1.613 -27.253 68 H3* AP7 282 H3* A 282 61.648 -3.713 -26.249 69 H4* AP7 282 H4* A 282 58.716 -3.398 -26.885 70 H1* AP7 282 H1* A 282 59.732 -0.462 -26.033 71 H8 AP7 282 H8 A 282 61.982 -2.427 -23.752 72 H2 AP7 282 H2 A 282 62.070 3.610 -25.962 73 H1 AP7 282 H1 A 282 63.657 3.790 -24.366 74 1H6 AP7 282 1H6 A 282 64.973 2.942 -22.665 75 2H6 AP7 282 2H6 A 282 64.837 1.270 -22.169 76 2H5* AP7 282 2H5* A 282 59.538 -5.557 -25.989 77 1H5* AP7 282 1H5* A 282 58.315 -4.782 -24.983 78 1H5* C 283 1H5* C 283 61.393 -3.564 -30.634 79 2H5* C 283 2H5* C 283 62.930 -3.944 -31.410 80 H4* C 283 H4* C 283 62.272 -1.530 -31.466 81 H3* C 283 H3* C 283 64.905 -2.403 -30.297 82 H2* C 283 H2* C 283 65.529 -0.126 -30.047 83 2HO* C 283 2HO* C 283 64.455 0.326 -32.115 84 H1* C 283 H1* C 283 63.078 0.606 -28.892 85 1H4 C 283 1H4 C 283 67.051 -0.516 -23.999 86 2H4 C 283 2H4 C 283 66.528 -2.186 -24.007 87 H5 C 283 H5 C 283 65.099 -3.110 -25.645 88 H6 C 283 H6 C 283 63.807 -2.654 -27.700 89 1H5* U 284 1H5* U 284 66.210 0.436 -33.100 90 2H5* U 284 2H5* U 284 67.234 -0.415 -34.255 91 H4* U 284 H4* U 284 68.448 1.482 -33.563 92 H3* U 284 H3* U 284 69.444 -1.055 -32.294 93 H2* U 284 H2* U 284 71.215 0.153 -31.272 94 2HO* U 284 2HO* U 284 71.393 1.463 -33.232 95 H1* U 284 H1* U 284 69.549 2.177 -30.314 96 H3 U 284 H3 U 284 70.628 -0.118 -26.556 97 H5 U 284 H5 U 284 67.804 -2.561 -28.451 98 H6 U 284 H6 U 284 67.909 -1.029 -30.364 99 1H5* A 285 1H5* A 285 73.342 0.607 -34.256 100 2H5* A 285 2H5* A 285 74.179 -0.929 -34.478 101 H4* A 285 H4* A 285 75.246 0.835 -32.954 102 H3* A 285 H3* A 285 74.927 -2.069 -32.222 103 H2* A 285 H2* A 285 76.176 -1.681 -30.242 104 2HO* A 285 2HO* A 285 77.674 -0.137 -30.519 105 H1* A 285 H1* A 285 74.730 0.643 -29.587 106 H8 A 285 H8 A 285 72.319 -1.843 -30.873 107 1H6 A 285 1H6 A 285 72.226 -4.358 -25.161 108 2H6 A 285 2H6 A 285 71.442 -4.362 -26.726 109 H2 A 285 H2 A 285 75.563 -1.429 -25.336 110 1H5* G 286 1H5* G 286 79.332 -1.383 -31.441 111 2H5* G 286 2H5* G 286 79.988 -2.885 -32.093 112 H4* G 286 H4* G 286 80.610 -2.536 -29.749 113 H3* G 286 H3* G 286 78.877 -4.920 -30.397 114 H2* G 286 H2* G 286 79.170 -5.679 -28.168 115 2HO* G 286 2HO* G 286 80.784 -4.491 -26.887 116 H1* G 286 H1* G 286 78.711 -3.080 -27.105 117 H8 G 286 H8 G 286 76.179 -3.794 -29.699 118 H1 G 286 H1 G 286 74.820 -6.611 -24.033 119 1H2 G 286 1H2 G 286 76.462 -6.488 -22.791 120 2H2 G 286 2H2 G 286 77.981 -5.734 -23.222 121 1H5* U 287 1H5* U 287 82.411 -6.158 -28.603 122 2H5* U 287 2H5* U 287 83.004 -7.763 -29.026 123 H4* U 287 H4* U 287 82.519 -7.596 -26.648 124 H3* U 287 H3* U 287 80.801 -9.479 -28.259 125 H2* U 287 H2* U 287 79.823 -10.257 -26.247 126 2HO* U 287 2HO* U 287 81.958 -10.135 -25.229 127 H1* U 287 H1* U 287 79.589 -7.585 -25.235 128 H3 U 287 H3 U 287 75.362 -9.365 -25.468 129 H5 U 287 H5 U 287 76.226 -8.041 -29.345 130 H6 U 287 H6 U 287 78.530 -7.667 -28.599 131 1H5* U 288 1H5* U 288 82.688 -11.955 -25.527 132 2H5* U 288 2H5* U 288 83.073 -13.565 -26.133 133 H4* U 288 H4* U 288 81.485 -13.729 -24.332 134 H3* U 288 H3* U 288 80.376 -14.410 -27.058 135 H2* U 288 H2* U 288 78.392 -15.132 -26.025 136 2HO* U 288 2HO* U 288 79.735 -16.211 -24.396 137 H1* U 288 H1* U 288 78.530 -12.981 -24.088 138 H3 U 288 H3 U 288 74.399 -12.629 -26.018 139 H5 U 288 H5 U 288 77.049 -11.063 -28.857 140 H6 U 288 H6 U 288 78.884 -11.872 -27.446 141 1H5* G 289 1H5* G 289 80.272 -18.072 -25.421 142 2H5* G 289 2H5* G 289 80.622 -19.429 -26.493 143 H4* G 289 H4* G 289 78.306 -19.499 -26.044 144 H3* G 289 H3* G 289 78.863 -18.386 -28.797 145 H2* G 289 H2* G 289 76.545 -18.477 -29.240 146 2HO* G 289 2HO* G 289 75.298 -19.878 -27.974 147 H1* G 289 H1* G 289 75.939 -17.544 -26.575 148 H8 G 289 H8 G 289 78.389 -15.601 -28.698 149 H1 G 289 H1 G 289 72.236 -13.678 -29.275 150 1H2 G 289 1H2 G 289 71.005 -14.999 -28.279 151 2H2 G 289 2H2 G 289 71.558 -16.415 -27.416 152 1H5* A 290 1H5* A 290 78.085 -20.542 -32.491 153 2H5* A 290 2H5* A 290 77.176 -19.641 -31.278 154 H4* A 290 H4* A 290 76.061 -21.232 -33.157 155 H3* A 290 H3* A 290 75.089 -20.270 -30.503 156 H2* A 290 H2* A 290 73.186 -21.672 -30.583 157 2HO* A 290 2HO* A 290 73.376 -22.980 -32.854 158 H1* A 290 H1* A 290 74.531 -23.973 -31.233 159 H8 A 290 H8 A 290 76.426 -21.424 -29.123 160 1H6 A 290 1H6 A 290 74.570 -24.793 -24.209 161 2H6 A 290 2H6 A 290 75.556 -23.437 -24.706 162 H2 A 290 H2 A 290 72.659 -26.476 -27.850 163 1H5* G 291 1H5* G 291 71.364 -21.053 -32.004 164 2H5* G 291 2H5* G 291 70.514 -19.526 -31.769 165 H4* G 291 H4* G 291 69.528 -21.411 -30.512 166 H3* G 291 H3* G 291 70.467 -18.939 -29.129 167 H2* G 291 H2* G 291 69.881 -19.800 -26.996 168 2HO* G 291 2HO* G 291 69.017 -22.265 -27.588 169 H1* G 291 H1* G 291 71.169 -22.235 -27.381 170 H8 G 291 H8 G 291 72.605 -18.964 -28.761 171 H1 G 291 H1 G 291 75.177 -20.989 -23.179 172 1H2 G 291 1H2 G 291 74.183 -22.677 -22.534 173 2H2 G 291 2H2 G 291 72.850 -23.430 -23.380 174 1H5* A 292 1H5* A 292 64.908 -16.999 -29.766 175 2H5* A 292 2H5* A 292 66.394 -16.141 -29.360 176 H4* A 292 H4* A 292 64.929 -18.223 -27.872 177 H3* A 292 H3* A 292 66.677 -15.863 -27.158 178 H2* A 292 H2* A 292 66.839 -16.719 -24.967 179 2HO* A 292 2HO* A 292 64.790 -18.515 -25.907 180 H1* A 292 H1* A 292 67.064 -19.421 -25.948 181 H8 A 292 H8 A 292 69.251 -16.549 -27.176 182 1H6 A 292 1H6 A 292 73.561 -18.752 -23.236 183 2H6 A 292 2H6 A 292 73.255 -17.563 -24.482 184 H2 A 292 H2 A 292 69.829 -21.096 -22.666 185 1H5* A 293 1H5* A 293 64.336 -15.200 -22.984 186 2H5* A 293 2H5* A 293 65.082 -13.614 -23.167 187 H4* A 293 H4* A 293 65.936 -15.672 -21.523 188 H3* A 293 H3* A 293 67.117 -13.067 -22.395 189 H2* A 293 H2* A 293 69.217 -13.620 -21.447 190 2HO* A 293 2HO* A 293 68.981 -15.982 -20.402 191 H1* A 293 H1* A 293 69.395 -16.113 -22.600 192 H8 A 293 H8 A 293 67.520 -14.083 -25.054 193 1H6 A 293 1H6 A 293 73.001 -11.867 -27.051 194 2H6 A 293 2H6 A 293 71.290 -11.949 -27.408 195 H2 A 293 H2 A 293 73.698 -14.098 -23.273 196 1H5* A 294 1H5* A 294 68.945 -14.055 -18.354 197 2H5* A 294 2H5* A 294 68.468 -12.591 -17.495 198 H4* A 294 H4* A 294 70.812 -12.956 -17.171 199 H3* A 294 H3* A 294 70.073 -10.603 -18.875 200 H2* A 294 H2* A 294 72.357 -10.011 -19.122 201 2HO* A 294 2HO* A 294 73.349 -12.167 -17.666 202 H1* A 294 H1* A 294 73.132 -12.660 -19.729 203 H8 A 294 H8 A 294 69.937 -11.649 -21.409 204 1H6 A 294 1H6 A 294 73.471 -9.489 -26.076 205 2H6 A 294 2H6 A 294 71.828 -9.827 -25.583 206 H2 A 294 H2 A 294 76.145 -10.591 -22.703 207 1H5* C 295 1H5* C 295 72.590 -9.804 -16.019 208 2H5* C 295 2H5* C 295 72.662 -8.359 -15.009 209 H4* C 295 H4* C 295 74.730 -8.441 -16.090 210 H3* C 295 H3* C 295 72.903 -6.478 -17.466 211 H2* C 295 H2* C 295 74.698 -5.830 -18.865 212 2HO* C 295 2HO* C 295 76.189 -7.522 -17.073 213 H1* C 295 H1* C 295 75.507 -8.531 -19.282 214 1H4 C 295 1H4 C 295 72.413 -6.994 -24.643 215 2H4 C 295 2H4 C 295 70.886 -7.127 -23.800 216 H5 C 295 H5 C 295 70.693 -7.536 -21.482 217 H6 C 295 H6 C 295 71.931 -7.922 -19.381 218 1H5* U 296 1H5* U 296 76.208 -4.011 -15.863 219 2H5* U 296 2H5* U 296 75.602 -2.397 -15.497 220 H4* U 296 H4* U 296 77.385 -2.328 -17.155 221 H3* U 296 H3* U 296 74.641 -1.466 -18.053 222 H2* U 296 H2* U 296 75.563 -0.773 -20.121 223 2HO* U 296 2HO* U 296 77.439 0.137 -19.227 224 H1* U 296 H1* U 296 77.147 -3.132 -20.341 225 H3 U 296 H3 U 296 74.254 -3.184 -23.884 226 H5 U 296 H5 U 296 71.999 -4.546 -20.628 227 H6 U 296 H6 U 296 73.883 -3.923 -19.188 228 1H5* A 297 1H5* A 297 77.279 1.915 -18.339 229 2H5* A 297 2H5* A 297 76.477 3.481 -18.225 230 H4* A 297 H4* A 297 77.546 3.229 -20.381 231 H3* A 297 H3* A 297 74.542 3.340 -20.361 232 H2* A 297 H2* A 297 74.531 3.338 -22.739 233 2HO* A 297 2HO* A 297 77.086 3.125 -23.394 234 H1* A 297 H1* A 297 76.356 1.185 -22.871 235 H8 A 297 H8 A 297 73.948 0.400 -20.202 236 1H6 A 297 1H6 A 297 70.020 -1.602 -24.620 237 2H6 A 297 2H6 A 297 70.310 -1.559 -22.894 238 H2 A 297 H2 A 297 73.370 0.539 -26.604 239 1H5* G 298 1H5* G 298 75.723 6.080 -23.967 240 2H5* G 298 2H5* G 298 74.873 7.486 -23.324 241 H4* G 298 H4* G 298 74.167 7.075 -25.588 242 H3* G 298 H3* G 298 72.129 6.630 -23.436 243 H2* G 298 H2* G 298 70.478 6.092 -25.057 244 2HO* G 298 2HO* G 298 72.413 6.466 -27.115 245 H1* G 298 H1* G 298 72.258 4.355 -26.438 246 H8 G 298 H8 G 298 72.566 3.675 -22.833 247 H1 G 298 H1 G 298 67.265 1.001 -25.409 248 1H2 G 298 1H2 G 298 66.958 1.765 -27.300 249 2H2 G 298 2H2 G 298 67.982 2.954 -28.072 250 1H5* C 299 1H5* C 299 70.451 8.547 -26.060 251 2H5* C 299 2H5* C 299 69.523 10.032 -25.851 252 H4* C 299 H4* C 299 68.080 8.406 -26.809 253 H3* C 299 H3* C 299 67.512 9.006 -23.921 254 H2* C 299 H2* C 299 65.673 7.537 -23.944 255 2HO* C 299 2HO* C 299 64.807 6.966 -25.993 256 H1* C 299 H1* C 299 67.122 5.620 -25.549 257 1H4 C 299 1H4 C 299 66.591 3.030 -19.719 258 2H4 C 299 2H4 C 299 68.026 3.909 -19.239 259 H5 C 299 H5 C 299 69.107 5.507 -20.600 260 H6 C 299 H6 C 299 69.077 6.667 -22.780 261 1H5* U 300 1H5* U 300 64.562 9.213 -26.976 262 2H5* U 300 2H5* U 300 63.343 10.484 -26.886 263 H4* U 300 H4* U 300 62.205 8.509 -27.486 264 H3* U 300 H3* U 300 61.785 9.251 -24.601 265 H2* U 300 H2* U 300 60.260 7.457 -24.361 266 2HO* U 300 2HO* U 300 60.647 7.272 -27.210 267 H1* U 300 H1* U 300 61.899 5.583 -25.607 268 H3 U 300 H3 U 300 62.255 4.349 -21.275 269 H5 U 300 H5 U 300 64.517 7.867 -21.482 270 H6 U 300 H6 U 300 63.718 8.128 -23.786 271 1H5* C 301 1H5* C 301 57.818 10.025 -26.495 272 2H5* C 301 2H5* C 301 56.740 10.826 -25.352 273 H4* C 301 H4* C 301 56.260 8.408 -25.718 274 H3* C 301 H3* C 301 56.796 9.508 -22.980 275 H2* C 301 H2* C 301 56.450 7.381 -22.008 276 2HO* C 301 2HO* C 301 55.483 5.750 -23.377 277 H1* C 301 H1* C 301 57.979 6.079 -24.045 278 1H4 C 301 1H4 C 301 61.763 6.215 -18.894 279 2H4 C 301 2H4 C 301 62.223 7.853 -19.304 280 H5 C 301 H5 C 301 61.253 9.089 -21.067 281 H6 C 301 H6 C 301 59.587 9.060 -22.889 282 1H5* U 302 1H5* U 302 53.872 7.439 -22.584 283 2H5* U 302 2H5* U 302 52.276 7.940 -22.026 284 H4* U 302 H4* U 302 52.652 6.411 -20.424 285 H3* U 302 H3* U 302 54.104 8.837 -19.392 286 H2* U 302 H2* U 302 54.744 7.614 -17.460 287 2HO* U 302 2HO* U 302 53.702 5.547 -17.143 288 H1* U 302 H1* U 302 55.589 5.381 -18.931 289 H3 U 302 H3 U 302 59.706 6.792 -17.899 290 H5 U 302 H5 U 302 58.138 10.051 -20.012 291 H6 U 302 H6 U 302 56.019 8.825 -20.135 292 1H5* G 303 1H5* G 303 51.401 7.686 -16.422 293 2H5* G 303 2H5* G 303 50.893 8.933 -15.283 294 H4* G 303 H4* G 303 52.263 7.271 -14.176 295 H3* G 303 H3* G 303 53.512 10.010 -14.439 296 H2* G 303 H2* G 303 55.238 9.292 -12.991 297 2HO* G 303 2HO* G 303 53.602 8.193 -11.684 298 H1* G 303 H1* G 303 55.419 6.747 -14.281 299 H8 G 303 H8 G 303 55.365 9.394 -16.844 300 H1 G 303 H1 G 303 61.176 8.743 -14.070 301 1H2 G 303 1H2 G 303 61.010 7.550 -12.397 302 2H2 G 303 2H2 G 303 59.519 6.832 -11.829 303 1H5* U 304 1H5* U 304 54.553 12.739 -11.937 304 2H5* U 304 2H5* U 304 54.735 11.207 -12.792 305 H4* U 304 H4* U 304 54.992 10.860 -9.916 306 H3* U 304 H3* U 304 56.533 13.099 -11.119 307 H2* U 304 H2* U 304 58.596 12.345 -10.237 308 2HO* U 304 2HO* U 304 58.458 11.133 -8.416 309 H1* U 304 H1* U 304 58.357 9.751 -11.109 310 H3 U 304 H3 U 304 61.190 12.182 -13.855 311 H5 U 304 H5 U 304 57.400 12.338 -15.629 312 H6 U 304 H6 U 304 56.504 11.357 -13.568 313 1H5* A 305 1H5* A 305 55.591 13.359 -6.755 314 2H5* A 305 2H5* A 305 55.134 14.853 -5.937 315 H4* A 305 H4* A 305 57.335 14.619 -5.311 316 H3* A 305 H3* A 305 57.214 16.415 -7.716 317 H2* A 305 H2* A 305 59.564 16.700 -7.644 318 2HO* A 305 2HO* A 305 59.480 15.089 -5.265 319 H1* A 305 H1* A 305 59.970 13.899 -7.194 320 H8 A 305 H8 A 305 57.612 14.700 -9.990 321 1H6 A 305 1H6 A 305 62.607 14.798 -13.731 322 2H6 A 305 2H6 A 305 60.858 14.836 -13.700 323 H2 A 305 H2 A 305 64.022 14.528 -9.527 324 1H5* U 306 1H5* U 306 54.355 16.803 -3.504 325 2H5* U 306 2H5* U 306 53.692 18.124 -4.465 326 H4* U 306 H4* U 306 53.553 18.132 -1.840 327 H3* U 306 H3* U 306 54.046 20.485 -3.654 328 H2* U 306 H2* U 306 54.286 21.883 -1.833 329 2HO* U 306 2HO* U 306 52.285 21.376 -0.952 330 H1* U 306 H1* U 306 55.093 19.555 -0.154 331 H3 U 306 H3 U 306 58.629 21.714 1.485 332 H5 U 306 H5 U 306 58.402 23.248 -2.405 333 H6 U 306 H6 U 306 56.457 21.796 -2.757 334 1H5* C 307 1H5* C 307 50.344 20.415 -0.583 335 2H5* C 307 2H5* C 307 49.243 20.405 -1.960 336 H4* C 307 H4* C 307 48.747 21.577 0.452 337 H3* C 307 H3* C 307 47.549 21.929 -2.266 338 H2* C 307 H2* C 307 46.240 23.763 -1.518 339 2HO* C 307 2HO* C 307 45.912 22.694 0.544 340 H1* C 307 H1* C 307 48.381 25.066 -0.301 341 1H4 C 307 1H4 C 307 47.967 27.371 -6.276 342 2H4 C 307 2H4 C 307 49.237 26.255 -6.726 343 H5 C 307 H5 C 307 50.098 24.591 -5.289 344 H6 C 307 H6 C 307 49.950 23.577 -3.042 345 1H5* U 308 1H5* U 308 43.228 19.104 -1.064 346 2H5* U 308 2H5* U 308 42.302 20.088 0.069 347 H4* U 308 H4* U 308 42.417 17.755 0.776 348 H3* U 308 H3* U 308 43.702 19.830 2.530 349 H2* U 308 H2* U 308 44.448 18.216 3.996 350 2HO* U 308 2HO* U 308 42.187 17.536 4.115 351 H1* U 308 H1* U 308 44.325 16.196 1.792 352 H3 U 308 H3 U 308 48.508 14.695 2.319 353 H5 U 308 H5 U 308 48.622 18.396 4.275 354 H6 U 308 H6 U 308 46.307 18.742 3.545 355 1H5* G 309 1H5* G 309 40.932 19.207 4.776 356 2H5* G 309 2H5* G 309 39.313 19.687 5.286 357 H4* G 309 H4* G 309 40.481 21.029 6.671 358 H3* G 309 H3* G 309 40.421 22.631 4.106 359 H2* G 309 H2* G 309 41.598 24.321 5.180 360 2HO* G 309 2HO* G 309 41.460 24.271 7.601 361 H1* G 309 H1* G 309 42.871 22.331 6.959 362 H8 G 309 H8 G 309 43.274 23.017 3.207 363 H1 G 309 H1 G 309 48.286 24.757 6.914 364 1H2 G 309 1H2 G 309 47.830 24.411 8.895 365 2H2 G 309 2H2 G 309 46.315 23.747 9.467 366 1H5* G 310 1H5* G 310 40.418 24.833 3.438 367 2H5* G 310 2H5* G 310 39.076 25.421 4.420 368 H4* G 310 H4* G 310 39.804 26.422 1.996 369 H3* G 310 H3* G 310 37.148 26.507 3.434 370 H2* G 310 H2* G 310 36.298 27.825 1.669 371 2HO* G 310 2HO* G 310 39.069 28.143 1.415 372 H1* G 310 H1* G 310 37.626 26.218 -0.303 373 H8 G 310 H8 G 310 35.843 23.964 1.968 374 H1 G 310 H1 G 310 31.852 26.832 -2.243 375 1H2 G 310 1H2 G 310 32.838 28.383 -3.180 376 2H2 G 310 2H2 G 310 34.498 28.838 -2.870 377 1H5* C 311 1H5* C 311 38.550 30.531 3.088 378 2H5* C 311 2H5* C 311 38.230 31.575 4.473 379 H4* C 311 H4* C 311 37.219 32.631 2.639 380 H3* C 311 H3* C 311 35.185 31.192 4.333 381 H2* C 311 H2* C 311 33.457 32.141 3.001 382 2HO* C 311 2HO* C 311 35.316 33.447 1.329 383 H1* C 311 H1* C 311 34.773 31.467 0.592 384 1H4 C 311 1H4 C 311 30.422 26.869 1.486 385 2H4 C 311 2H4 C 311 31.561 26.022 2.509 386 H5 C 311 H5 C 311 33.656 26.902 3.153 387 H6 C 311 H6 C 311 35.189 28.830 2.972 388 1H5* G 312 1H5* G 312 33.510 35.878 4.682 389 2H5* G 312 2H5* G 312 32.192 35.354 5.731 390 H4* G 312 H4* G 312 31.910 36.253 3.174 391 H3* G 312 H3* G 312 30.146 34.639 4.969 392 H2* G 312 H2* G 312 28.589 34.268 3.206 393 2HO* G 312 2HO* G 312 29.220 36.497 2.452 394 H1* G 312 H1* G 312 30.462 33.330 1.428 395 H8 G 312 H8 G 312 32.042 32.054 4.376 396 H1 G 312 H1 G 312 26.446 28.986 3.303 397 1H2 G 312 1H2 G 312 25.329 30.049 1.933 398 2H2 G 312 2H2 G 312 25.835 31.547 1.185 399 1H5* G 313 1H5* G 313 27.396 35.806 2.259 400 2H5* G 313 2H5* G 313 26.652 37.177 3.081 401 H4* G 313 H4* G 313 24.830 35.977 2.318 402 H3* G 313 H3* G 313 25.365 35.289 5.189 403 H2* G 313 H2* G 313 23.503 33.821 5.216 404 2HO* G 313 2HO* G 313 22.156 33.874 3.219 405 H1* G 313 H1* G 313 24.184 32.507 2.878 406 H8 G 313 H8 G 313 27.244 33.567 4.792 407 H1 G 313 H1 G 313 24.789 27.884 6.678 408 1H2 G 313 1H2 G 313 22.965 27.584 5.764 409 2H2 G 313 2H2 G 313 22.212 28.706 4.652 410 1H5* A 314 1H5* A 314 21.227 35.968 4.140 411 2H5* A 314 2H5* A 314 20.290 36.635 5.477 412 H4* A 314 H4* A 314 19.286 34.592 4.612 413 H3* A 314 H3* A 314 20.310 34.576 7.435 414 H2* A 314 H2* A 314 19.442 32.381 7.741 415 2HO* A 314 2HO* A 314 18.177 31.537 5.882 416 H1* A 314 H1* A 314 20.611 31.379 5.432 417 H8 A 314 H8 A 314 22.788 33.981 7.049 418 1H6 A 314 1H6 A 314 25.260 29.325 10.389 419 2H6 A 314 2H6 A 314 25.414 31.021 9.991 420 H2 A 314 H2 A 314 21.761 27.731 8.161 421 1H5* C 315 1H5* C 315 17.445 31.788 7.730 422 2H5* C 315 2H5* C 315 16.212 32.547 8.736 423 H4* C 315 H4* C 315 17.011 30.303 9.514 424 H3* C 315 H3* C 315 16.263 32.428 11.091 425 H2* C 315 H2* C 315 18.424 33.126 11.710 426 2HO* C 315 2HO* C 315 18.272 30.944 13.496 427 H1* C 315 H1* C 315 19.430 30.284 11.946 428 1H4 C 315 1H4 C 315 25.076 33.001 10.895 429 2H4 C 315 2H4 C 315 24.318 34.366 10.105 430 H5 C 315 H5 C 315 21.988 34.567 9.774 431 H6 C 315 H6 C 315 19.790 33.497 10.124 432 1H5* C 316 1H5* C 316 14.300 27.355 12.045 433 2H5* C 316 2H5* C 316 16.051 27.534 12.155 434 H4* C 316 H4* C 316 14.412 25.922 10.247 435 H3* C 316 H3* C 316 16.767 25.434 12.037 436 H2* C 316 H2* C 316 17.550 23.717 10.602 437 2HO* C 316 2HO* C 316 15.491 22.872 10.147 438 H1* C 316 H1* C 316 17.326 25.205 8.280 439 1H4 C 316 1H4 C 316 23.236 26.361 10.448 440 2H4 C 316 2H4 C 316 22.608 27.744 11.316 441 H5 C 316 H5 C 316 20.311 28.274 11.463 442 H6 C 316 H6 C 316 18.028 27.599 10.806 443 1H5* C 317 1H5* C 317 14.867 21.695 12.000 444 2H5* C 317 2H5* C 317 14.748 20.919 13.578 445 H4* C 317 H4* C 317 16.053 19.513 12.173 446 H3* C 317 H3* C 317 17.686 20.972 14.246 447 H2* C 317 H2* C 317 19.578 19.696 13.602 448 2HO* C 317 2HO* C 317 18.140 17.823 13.349 449 H1* C 317 H1* C 317 19.088 20.082 10.845 450 1H4 C 317 1H4 C 317 23.534 24.427 12.299 451 2H4 C 317 2H4 C 317 22.291 25.463 12.964 452 H5 C 317 H5 C 317 20.026 24.830 13.180 453 H6 C 317 H6 C 317 18.380 23.029 12.807 454 1H5* G 318 1H5* G 318 17.972 16.871 15.200 455 2H5* G 318 2H5* G 318 17.622 16.480 16.883 456 H4* G 318 H4* G 318 19.713 15.514 16.421 457 H3* G 318 H3* G 318 19.975 18.056 18.009 458 H2* G 318 H2* G 318 22.314 17.696 18.184 459 2HO* G 318 2HO* G 318 23.016 15.559 17.165 460 H1* G 318 H1* G 318 22.630 17.145 15.460 461 H8 G 318 H8 G 318 20.117 19.859 16.214 462 H1 G 318 H1 G 318 26.205 21.961 15.595 463 1H2 G 318 1H2 G 318 27.482 20.347 15.467 464 2H2 G 318 2H2 G 318 26.978 18.673 15.522 465 1H5* U 319 1H5* U 319 21.531 16.049 20.187 466 2H5* U 319 2H5* U 319 21.612 15.876 21.940 467 H4* U 319 H4* U 319 22.334 18.126 20.249 468 H3* U 319 H3* U 319 22.947 17.215 23.052 469 H2* U 319 H2* U 319 23.883 19.365 23.512 470 2HO* U 319 2HO* U 319 24.652 19.426 21.257 471 H1* U 319 H1* U 319 21.617 20.686 22.486 472 H3 U 319 H3 U 319 20.709 21.624 26.762 473 H5 U 319 H5 U 319 20.848 17.438 26.772 474 H6 U 319 H6 U 319 21.475 17.552 24.404 475 1H5* G 320 1H5* G 320 24.909 17.376 19.437 476 2H5* G 320 2H5* G 320 24.617 16.169 18.186 477 H4* G 320 H4* G 320 26.957 15.258 18.822 478 H3* G 320 H3* G 320 26.909 17.709 20.458 479 H2* G 320 H2* G 320 28.958 18.568 19.632 480 2HO* G 320 2HO* G 320 28.995 16.038 18.255 481 H1* G 320 H1* G 320 28.325 18.377 16.986 482 H8 G 320 H8 G 320 24.978 18.890 18.274 483 H1 G 320 H1 G 320 28.530 24.280 18.742 484 1H2 G 320 1H2 G 320 30.518 23.823 18.446 485 2H2 G 320 2H2 G 320 31.132 22.217 18.119 486 1H5* G 321 1H5* G 321 31.146 16.475 20.442 487 2H5* G 321 2H5* G 321 31.533 16.375 22.159 488 H4* G 321 H4* G 321 33.150 17.755 21.008 489 H3* G 321 H3* G 321 31.373 19.092 23.016 490 H2* G 321 H2* G 321 32.472 21.168 22.668 491 2HO* G 321 2HO* G 321 34.163 20.172 20.672 492 H1* G 321 H1* G 321 32.340 20.880 19.841 493 H8 G 321 H8 G 321 29.025 19.971 21.026 494 H1 G 321 H1 G 321 29.997 26.361 21.342 495 1H2 G 321 1H2 G 321 32.005 26.765 21.101 496 2H2 G 321 2H2 G 321 33.240 25.553 20.851 497 1H5* U 322 1H5* U 322 35.317 19.471 25.129 498 2H5* U 322 2H5* U 322 34.941 19.705 26.835 499 H4* U 322 H4* U 322 35.865 21.710 25.651 500 H3* U 322 H3* U 322 33.263 21.799 27.148 501 H2* U 322 H2* U 322 33.035 24.103 26.680 502 2HO* U 322 2HO* U 322 34.927 25.205 25.886 503 H1* U 322 H1* U 322 33.921 23.710 23.966 504 H3 U 322 H3 U 322 29.799 25.590 23.520 505 H5 U 322 H5 U 322 29.022 21.650 24.710 506 H6 U 322 H6 U 322 31.432 21.390 25.078 507 1H5* G 323 1H5* G 323 35.568 24.849 29.529 508 2H5* G 323 2H5* G 323 35.429 24.209 31.166 509 H4* G 323 H4* G 323 34.661 26.383 31.377 510 H3* G 323 H3* G 323 32.338 24.501 31.100 511 H2* G 323 H2* G 323 30.825 26.321 31.382 512 2HO* G 323 2HO* G 323 32.357 27.290 32.909 513 H1* G 323 H1* G 323 32.065 27.884 29.442 514 H8 G 323 H8 G 323 32.190 24.291 28.428 515 H1 G 323 H1 G 323 26.581 27.186 27.000 516 1H2 G 323 1H2 G 323 26.511 29.037 27.908 517 2H2 G 323 2H2 G 323 27.782 29.704 28.907 518 1H5* G 324 1H5* G 324 29.381 24.161 34.437 519 2H5* G 324 2H5* G 324 28.978 23.261 32.975 520 H4* G 324 H4* G 324 28.844 25.908 32.157 521 H3* G 324 H3* G 324 28.270 25.834 35.045 522 H2* G 324 H2* G 324 26.110 26.757 34.888 523 2HO* G 324 2HO* G 324 26.238 28.295 33.348 524 H1* G 324 H1* G 324 25.123 25.137 32.971 525 H8 G 324 H8 G 324 27.493 22.721 34.152 526 H1 G 324 H1 G 324 22.947 23.815 38.625 527 1H2 G 324 1H2 G 324 21.908 25.532 38.146 528 2H2 G 324 2H2 G 324 22.223 26.526 36.741 529 1H5* A 325 1H5* A 325 26.972 29.819 34.401 530 2H5* A 325 2H5* A 325 27.973 30.803 35.470 531 H4* A 325 H4* A 325 25.690 31.248 35.979 532 H3* A 325 H3* A 325 27.168 29.668 38.053 533 H2* A 325 H2* A 325 25.253 29.616 39.445 534 2HO* A 325 2HO* A 325 23.622 31.029 37.676 535 H1* A 325 H1* A 325 23.505 28.837 37.435 536 H8 A 325 H8 A 325 26.675 27.124 36.661 537 1H6 A 325 1H6 A 325 25.119 22.804 40.886 538 2H6 A 325 2H6 A 325 26.238 23.188 39.597 539 H2 A 325 H2 A 325 22.317 26.228 41.301 540 1H5* A 326 1H5* A 326 27.132 33.482 40.808 541 2H5* A 326 2H5* A 326 28.154 32.764 42.054 542 H4* A 326 H4* A 326 25.582 33.029 42.427 543 H3* A 326 H3* A 326 27.362 30.783 43.270 544 H2* A 326 H2* A 326 25.519 29.565 44.166 545 2HO* A 326 2HO* A 326 24.578 31.713 44.742 546 H1* A 326 H1* A 326 24.010 29.758 41.848 547 H8 A 326 H8 A 326 27.182 29.424 40.256 548 1H6 A 326 1H6 A 326 27.391 23.408 41.902 549 2H6 A 326 2H6 A 326 28.112 24.620 40.867 550 H2 A 326 H2 A 326 24.181 25.383 44.256 551 1H5* C 327 1H5* C 327 25.268 31.577 46.812 552 2H5* C 327 2H5* C 327 26.351 31.636 48.202 553 H4* C 327 H4* C 327 24.697 29.923 48.536 554 H3* C 327 H3* C 327 27.521 28.990 48.135 555 H2* C 327 H2* C 327 26.847 26.737 48.509 556 2HO* C 327 2HO* C 327 24.135 27.420 48.762 557 H1* C 327 H1* C 327 24.751 26.848 46.693 558 1H4 C 327 1H4 C 327 29.871 24.820 43.406 559 2H4 C 327 2H4 C 327 30.123 26.472 42.889 560 H5 C 327 H5 C 327 28.887 28.311 43.706 561 H6 C 327 H6 C 327 27.087 29.024 45.238 562 1H5* U 328 1H5* U 328 26.059 26.946 51.295 563 2H5* U 328 2H5* U 328 26.985 27.198 52.775 564 H4* U 328 H4* U 328 26.630 24.858 52.513 565 H3* U 328 H3* U 328 29.453 25.752 52.006 566 H2* U 328 H2* U 328 30.126 23.493 51.720 567 2HO* U 328 2HO* U 328 28.735 21.892 52.494 568 H1* U 328 H1* U 328 28.030 22.881 49.978 569 H3 U 328 H3 U 328 32.162 23.128 47.839 570 H5 U 328 H5 U 328 30.313 26.857 47.375 571 H6 U 328 H6 U 328 28.647 26.125 49.018 572 1H5* G 329 1H5* G 329 30.258 23.178 54.950 573 2H5* G 329 2H5* G 329 31.520 23.724 56.056 574 H4* G 329 H4* G 329 32.317 21.870 54.731 575 H3* G 329 H3* G 329 33.606 24.537 54.237 576 H2* G 329 H2* G 329 35.083 23.572 52.672 577 2HO* G 329 2HO* G 329 35.362 21.310 52.750 578 H1* G 329 H1* G 329 32.945 21.947 51.585 579 H8 G 329 H8 G 329 31.980 25.499 51.620 580 H1 G 329 H1 G 329 35.838 24.033 46.634 581 1H2 G 329 1H2 G 329 36.652 22.161 46.921 582 2H2 G 329 2H2 G 329 36.337 21.139 48.306 583 1H5* U 330 1H5* U 330 36.699 26.128 55.041 584 2H5* U 330 2H5* U 330 36.510 25.051 53.657 585 H4* U 330 H4* U 330 38.828 26.197 54.293 586 H3* U 330 H3* U 330 38.212 23.651 52.891 587 H2* U 330 H2* U 330 40.458 22.907 52.946 588 2HO* U 330 2HO* U 330 40.863 25.550 54.014 589 H1* U 330 H1* U 330 40.835 23.397 55.642 590 H3 U 330 H3 U 330 40.232 18.995 56.136 591 H5 U 330 H5 U 330 36.592 20.217 54.463 592 H6 U 330 H6 U 330 37.536 22.475 54.308 593 1H5* G 331 1H5* G 331 40.695 24.841 50.039 594 2H5* G 331 2H5* G 331 40.001 24.811 48.418 595 H4* G 331 H4* G 331 41.650 23.079 48.607 596 H3* G 331 H3* G 331 38.803 22.210 48.329 597 H2* G 331 H2* G 331 39.406 19.923 48.436 598 2HO* G 331 2HO* G 331 41.455 19.439 47.808 599 H1* G 331 H1* G 331 41.091 20.275 50.662 600 H8 G 331 H8 G 331 37.915 22.276 50.862 601 H1 G 331 H1 G 331 37.350 16.216 53.058 602 1H2 G 331 1H2 G 331 39.061 15.156 52.604 603 2H2 G 331 2H2 G 331 40.442 15.813 51.755 604 1H5* A 332 1H5* A 332 39.267 21.441 42.631 605 2H5* A 332 2H5* A 332 38.024 21.347 43.879 606 H4* A 332 H4* A 332 40.547 19.769 43.573 607 H3* A 332 H3* A 332 37.643 19.136 44.054 608 H2* A 332 H2* A 332 38.289 17.047 45.003 609 2HO* A 332 2HO* A 332 40.591 16.518 44.835 610 H1* A 332 H1* A 332 40.225 18.248 46.653 611 H8 A 332 H8 A 332 37.044 20.236 46.352 612 1H6 A 332 1H6 A 332 34.989 17.006 51.279 613 2H6 A 332 2H6 A 332 34.633 18.348 50.215 614 H2 A 332 H2 A 332 38.835 15.221 49.954 615 1H5* A 333 1H5* A 333 37.068 14.713 43.161 616 2H5* A 333 2H5* A 333 36.072 15.358 41.856 617 H4* A 333 H4* A 333 34.932 14.266 43.900 618 H3* A 333 H3* A 333 34.091 16.835 42.584 619 H2* A 333 H2* A 333 32.243 16.995 44.061 620 2HO* A 333 2HO* A 333 32.277 14.947 45.612 621 H1* A 333 H1* A 333 33.723 16.490 46.354 622 H8 A 333 H8 A 333 35.840 18.439 43.984 623 1H6 A 333 1H6 A 333 33.187 23.584 46.316 624 2H6 A 333 2H6 A 333 34.468 22.995 45.282 625 H2 A 333 H2 A 333 30.984 20.055 47.877 626 1H5* G 334 1H5* G 334 30.574 13.912 43.618 627 2H5* G 334 2H5* G 334 29.178 14.698 42.880 628 H4* G 334 H4* G 334 29.561 14.548 45.524 629 H3* G 334 H3* G 334 28.118 16.593 43.877 630 H2* G 334 H2* G 334 27.629 17.866 45.829 631 2HO* G 334 2HO* G 334 27.376 15.846 47.032 632 H1* G 334 H1* G 334 30.243 17.906 46.724 633 H8 G 334 H8 G 334 30.957 18.050 43.215 634 H1 G 334 H1 G 334 28.112 23.522 45.178 635 1H2 G 334 1H2 G 334 27.270 23.231 47.038 636 2H2 G 334 2H2 G 334 27.326 21.729 47.933 637 1H5* U 335 1H5* U 335 25.350 15.802 47.097 638 2H5* U 335 2H5* U 335 23.721 15.851 46.423 639 H4* U 335 H4* U 335 24.153 17.522 48.217 640 H3* U 335 H3* U 335 23.223 18.375 45.492 641 H2* U 335 H2* U 335 23.089 20.627 46.228 642 2HO* U 335 2HO* U 335 23.504 20.931 48.586 643 H1* U 335 H1* U 335 25.621 20.631 47.381 644 H3 U 335 H3 U 335 25.484 23.051 43.412 645 H5 U 335 H5 U 335 26.805 19.198 42.437 646 H6 U 335 H6 U 335 26.186 18.517 44.710 647 1H5* U 336 1H5* U 336 19.711 19.407 47.921 648 2H5* U 336 2H5* U 336 18.282 19.442 46.887 649 H4* U 336 H4* U 336 18.938 21.676 47.649 650 H3* U 336 H3* U 336 18.975 21.077 44.705 651 H2* U 336 H2* U 336 19.540 23.333 44.240 652 2HO* U 336 2HO* U 336 19.716 24.425 46.667 653 H1* U 336 H1* U 336 21.559 23.438 46.177 654 H3 U 336 H3 U 336 23.608 23.506 42.081 655 H5 U 336 H5 U 336 22.914 19.455 42.886 656 H6 U 336 H6 U 336 21.574 20.169 44.813 657 1H5* C 337 1H5* C 337 17.659 24.732 44.653 658 2H5* C 337 2H5* C 337 15.902 24.613 44.570 659 H4* C 337 H4* C 337 16.099 26.234 43.038 660 H3* C 337 H3* C 337 16.679 23.746 41.476 661 H2* C 337 H2* C 337 17.203 25.011 39.544 662 2HO* C 337 2HO* C 337 15.516 26.523 39.910 663 H1* C 337 H1* C 337 18.914 26.759 40.818 664 1H4 C 337 1H4 C 337 22.865 22.031 39.214 665 2H4 C 337 2H4 C 337 22.161 21.002 40.441 666 H5 C 337 H5 C 337 20.323 21.625 41.786 667 H6 C 337 H6 C 337 18.690 23.408 42.290 668 1H5* G 338 1H5* G 338 14.650 25.903 38.242 669 2H5* G 338 2H5* G 338 13.720 24.564 37.567 670 H4* G 338 H4* G 338 15.438 25.541 36.038 671 H3* G 338 H3* G 338 15.420 22.614 36.717 672 H2* G 338 H2* G 338 17.242 22.236 35.279 673 2HO* G 338 2HO* G 338 16.785 24.964 34.476 674 H1* G 338 H1* G 338 18.463 24.745 36.106 675 H8 G 338 H8 G 338 17.758 22.492 38.954 676 H1 G 338 H1 G 338 23.276 21.029 35.904 677 1H2 G 338 1H2 G 338 23.377 22.068 34.126 678 2H2 G 338 2H2 G 338 22.149 23.173 33.548 679 1H5* G 339 1H5* G 339 16.650 22.057 33.360 680 2H5* G 339 2H5* G 339 15.701 20.830 32.521 681 H4* G 339 H4* G 339 18.095 20.231 33.034 682 H3* G 339 H3* G 339 15.762 18.498 33.744 683 H2* G 339 H2* G 339 17.017 17.345 35.248 684 2HO* G 339 2HO* G 339 19.270 17.206 33.605 685 H1* G 339 H1* G 339 19.384 19.120 34.481 686 H8 G 339 H8 G 339 21.063 19.086 36.347 687 H1 G 339 H1 G 339 16.724 16.988 40.667 688 1H2 G 339 1H2 G 339 14.867 16.872 39.778 689 2H2 G 339 2H2 G 339 14.534 17.283 38.110 690 1H5* A 340 1H5* A 340 16.935 19.443 29.501 691 2H5* A 340 2H5* A 340 18.336 20.347 28.928 692 H4* A 340 H4* A 340 15.873 21.403 29.320 693 H3* A 340 H3* A 340 18.596 22.660 29.262 694 H2* A 340 H2* A 340 17.641 24.788 29.766 695 2HO* A 340 2HO* A 340 15.279 24.861 29.821 696 H1* A 340 H1* A 340 16.172 23.751 31.931 697 H8 A 340 H8 A 340 19.301 22.040 32.383 698 1H6 A 340 1H6 A 340 21.830 27.321 34.543 699 2H6 A 340 2H6 A 340 22.059 25.592 34.406 700 H2 A 340 H2 A 340 17.958 28.324 32.607 701 1H5* A 341 1H5* A 341 16.022 25.472 27.780 702 2H5* A 341 2H5* A 341 16.616 26.045 26.221 703 H4* A 341 H4* A 341 16.223 27.917 27.683 704 H3* A 341 H3* A 341 19.112 27.352 27.046 705 H2* A 341 H2* A 341 19.729 29.343 28.174 706 2HO* A 341 2HO* A 341 17.960 30.543 27.363 707 H1* A 341 H1* A 341 18.100 28.816 30.398 708 H8 A 341 H8 A 341 19.800 25.751 29.028 709 1H6 A 341 1H6 A 341 24.514 27.083 32.896 710 2H6 A 341 2H6 A 341 23.884 25.884 31.789 711 H2 A 341 H2 A 341 21.649 30.479 32.975 712 1H5* C 342 1H5* C 342 18.530 30.970 25.509 713 2H5* C 342 2H5* C 342 19.357 31.450 24.027 714 H4* C 342 H4* C 342 20.169 32.613 26.061 715 H3* C 342 H3* C 342 22.040 31.008 24.352 716 H2* C 342 H2* C 342 23.880 31.652 25.720 717 2HO* C 342 2HO* C 342 23.280 33.748 26.182 718 H1* C 342 H1* C 342 22.636 30.939 28.091 719 1H4 C 342 1H4 C 342 25.808 25.765 25.974 720 2H4 C 342 2H4 C 342 24.263 25.131 25.450 721 H5 C 342 H5 C 342 22.252 26.367 25.492 722 H6 C 342 H6 C 342 21.216 28.538 26.052 723 1H5* A 343 1H5* A 343 24.103 34.595 24.583 724 2H5* A 343 2H5* A 343 24.632 35.104 22.980 725 H4* A 343 H4* A 343 26.535 34.883 24.443 726 H3* A 343 H3* A 343 26.338 32.896 22.198 727 H2* A 343 H2* A 343 28.446 31.989 22.804 728 2HO* A 343 2HO* A 343 29.631 33.718 23.433 729 H1* A 343 H1* A 343 27.822 31.771 25.506 730 H8 A 343 H8 A 343 24.765 31.054 23.495 731 1H6 A 343 1H6 A 343 26.785 25.164 23.084 732 2H6 A 343 2H6 A 343 25.427 26.221 22.773 733 H2 A 343 H2 A 343 30.037 27.629 24.841 734 1H5* C 344 1H5* C 344 30.047 35.109 21.166 735 2H5* C 344 2H5* C 344 30.217 35.081 19.410 736 H4* C 344 H4* C 344 32.063 33.923 20.457 737 H3* C 344 H3* C 344 30.161 32.251 18.837 738 H2* C 344 H2* C 344 31.576 30.359 19.146 739 2HO* C 344 2HO* C 344 33.324 32.238 19.254 740 H1* C 344 H1* C 344 31.743 30.736 21.913 741 1H4 C 344 1H4 C 344 26.926 26.611 21.189 742 2H4 C 344 2H4 C 344 25.853 27.942 20.820 743 H5 C 344 H5 C 344 26.565 30.181 20.588 744 H6 C 344 H6 C 344 28.503 31.711 20.655 745 1H5* C 345 1H5* C 345 34.011 31.544 16.267 746 2H5* C 345 2H5* C 345 33.281 30.566 14.995 747 H4* C 345 H4* C 345 34.837 29.555 16.923 748 H3* C 345 H3* C 345 32.554 28.276 15.434 749 H2* C 345 H2* C 345 32.942 26.254 16.622 750 2HO* C 345 2HO* C 345 35.285 26.787 16.476 751 H1* C 345 H1* C 345 33.087 27.543 19.109 752 1H4 C 345 1H4 C 345 27.065 25.426 18.303 753 2H4 C 345 2H4 C 345 26.625 27.081 17.946 754 H5 C 345 H5 C 345 28.190 28.830 17.683 755 H6 C 345 H6 C 345 30.587 29.428 17.699 756 1H5* C 346 1H5* C 346 34.572 25.116 15.709 757 2H5* C 346 2H5* C 346 35.173 24.673 14.112 758 H4* C 346 H4* C 346 34.137 22.736 14.807 759 H3* C 346 H3* C 346 32.149 24.302 13.164 760 H2* C 346 H2* C 346 30.640 22.492 13.329 761 2HO* C 346 2HO* C 346 32.457 21.018 13.001 762 H1* C 346 H1* C 346 31.338 22.093 16.103 763 1H4 C 346 1H4 C 346 25.408 24.510 16.058 764 2H4 C 346 2H4 C 346 26.107 26.113 16.022 765 H5 C 346 H5 C 346 28.418 26.536 15.785 766 H6 C 346 H6 C 346 30.651 25.514 15.521 767 1H5* G 347 1H5* G 347 33.648 20.720 10.546 768 2H5* G 347 2H5* G 347 33.072 20.953 8.896 769 H4* G 347 H4* G 347 32.254 18.880 10.040 770 H3* G 347 H3* G 347 30.413 20.873 8.778 771 H2* G 347 H2* G 347 28.511 19.557 9.356 772 2HO* G 347 2HO* G 347 30.471 17.748 9.335 773 H1* G 347 H1* G 347 29.283 19.314 12.029 774 H8 G 347 H8 G 347 30.261 22.724 11.397 775 H1 G 347 H1 G 347 23.816 22.148 11.498 776 1H2 G 347 1H2 G 347 23.301 20.155 11.375 777 2H2 G 347 2H2 G 347 24.444 18.836 11.262 778 1H5* G 348 1H5* G 348 29.299 17.556 6.050 779 2H5* G 348 2H5* G 348 28.660 18.411 4.646 780 H4* G 348 H4* G 348 27.044 17.212 6.291 781 H3* G 348 H3* G 348 26.612 19.954 5.104 782 H2* G 348 H2* G 348 24.429 19.951 6.044 783 2HO* G 348 2HO* G 348 23.579 17.958 6.142 784 H1* G 348 H1* G 348 25.405 18.969 8.534 785 H8 G 348 H8 G 348 27.729 21.607 7.784 786 H1 G 348 H1 G 348 21.931 24.030 9.328 787 1H2 G 348 1H2 G 348 20.519 22.528 9.271 788 2H2 G 348 2H2 G 348 20.856 20.860 8.863 789 1H5* C 349 1H5* C 349 22.681 19.167 4.772 790 2H5* C 349 2H5* C 349 22.448 19.318 3.030 791 H4* C 349 H4* C 349 21.078 20.944 4.093 792 H3* C 349 H3* C 349 23.486 22.083 2.702 793 H2* C 349 H2* C 349 22.824 24.264 3.266 794 2HO* C 349 2HO* C 349 20.388 22.911 3.997 795 H1* C 349 H1* C 349 21.895 23.367 5.873 796 1H4 C 349 1H4 C 349 26.933 27.140 7.018 797 2H4 C 349 2H4 C 349 27.986 25.784 6.681 798 H5 C 349 H5 C 349 27.226 23.696 5.881 799 H6 C 349 H6 C 349 25.249 22.382 5.198 800 1H5* C 350 1H5* C 350 20.167 23.348 -0.192 801 2H5* C 350 2H5* C 350 20.970 23.674 -1.728 802 H4* C 350 H4* C 350 20.014 25.670 -0.523 803 H3* C 350 H3* C 350 22.859 25.543 -1.473 804 H2* C 350 H2* C 350 23.235 27.762 -0.727 805 2HO* C 350 2HO* C 350 20.514 27.867 0.134 806 H1* C 350 H1* C 350 21.903 27.240 1.753 807 1H4 C 350 1H4 C 350 28.149 27.270 3.122 808 2H4 C 350 2H4 C 350 28.243 25.598 2.614 809 H5 C 350 H5 C 350 26.448 24.422 1.628 810 H6 C 350 H6 C 350 24.098 24.560 0.881 811 1H5* G 351 1H5* G 351 21.596 28.961 -3.733 812 2H5* G 351 2H5* G 351 21.806 28.568 -5.439 813 H4* G 351 H4* G 351 22.994 30.545 -5.178 814 H3* G 351 H3* G 351 24.844 28.185 -5.114 815 H2* G 351 H2* G 351 26.719 29.626 -4.882 816 2HO* G 351 2HO* G 351 25.094 31.928 -4.815 817 H1* G 351 H1* G 351 25.580 31.095 -2.803 818 H8 G 351 H8 G 351 24.848 27.369 -2.862 819 H1 G 351 H1 G 351 30.054 29.056 0.592 820 1H2 G 351 1H2 G 351 30.436 31.065 0.325 821 2H2 G 351 2H2 G 351 29.487 32.134 -0.684 822 1H5* C 352 1H5* C 352 26.288 30.588 -8.254 823 2H5* C 352 2H5* C 352 27.145 29.706 -9.519 824 H4* C 352 H4* C 352 28.613 31.187 -8.208 825 H3* C 352 H3* C 352 29.136 28.232 -8.261 826 H2* C 352 H2* C 352 31.073 28.516 -6.933 827 2HO* C 352 2HO* C 352 31.887 30.374 -7.840 828 H1* C 352 H1* C 352 29.734 30.338 -5.182 829 1H4 C 352 1H4 C 352 30.033 24.864 -1.911 830 2H4 C 352 2H4 C 352 28.688 24.246 -2.843 831 H5 C 352 H5 C 352 27.710 25.391 -4.662 832 H6 C 352 H6 C 352 27.784 27.432 -6.050 833 1H5* A 353 1H5* A 353 32.238 29.940 -11.204 834 2H5* A 353 2H5* A 353 32.156 28.991 -12.687 835 H4* A 353 H4* A 353 34.366 28.801 -11.874 836 H3* A 353 H3* A 353 32.705 26.341 -11.526 837 H2* A 353 H2* A 353 34.498 25.188 -10.481 838 2HO* A 353 2HO* A 353 36.545 26.610 -10.361 839 H1* A 353 H1* A 353 35.063 27.298 -8.721 840 H8 A 353 H8 A 353 31.522 26.186 -9.685 841 1H6 A 353 1H6 A 353 31.421 23.386 -4.109 842 2H6 A 353 2H6 A 353 30.474 23.734 -5.537 843 H2 A 353 H2 A 353 35.438 25.196 -4.682 844 1H5* A 354 1H5* A 354 36.555 25.036 -13.095 845 2H5* A 354 2H5* A 354 36.306 23.558 -14.022 846 H4* A 354 H4* A 354 37.782 23.248 -12.073 847 H3* A 354 H3* A 354 35.215 21.687 -12.243 848 H2* A 354 H2* A 354 35.822 20.486 -10.291 849 2HO* A 354 2HO* A 354 37.984 20.189 -10.510 850 H1* A 354 H1* A 354 36.631 22.847 -8.936 851 H8 A 354 H8 A 354 33.422 23.492 -10.650 852 1H6 A 354 1H6 A 354 30.553 20.913 -5.745 853 2H6 A 354 2H6 A 354 30.301 21.834 -7.211 854 H2 A 354 H2 A 354 34.909 20.109 -5.388 855 1H5* C 355 1H5* C 355 38.226 18.310 -12.389 856 2H5* C 355 2H5* C 355 37.507 17.194 -13.548 857 H4* C 355 H4* C 355 37.881 16.136 -11.382 858 H3* C 355 H3* C 355 35.062 16.410 -12.374 859 H2* C 355 H2* C 355 34.247 15.247 -10.481 860 2HO* C 355 2HO* C 355 35.723 13.994 -9.318 861 H1* C 355 H1* C 355 35.931 16.719 -8.709 862 1H4 C 355 1H4 C 355 30.072 19.213 -8.064 863 2H4 C 355 2H4 C 355 30.413 20.275 -9.412 864 H5 C 355 H5 C 355 32.368 20.141 -10.729 865 H6 C 355 H6 C 355 34.499 18.944 -11.083 866 1H5* C 356 1H5* C 356 36.287 12.417 -12.037 867 2H5* C 356 2H5* C 356 35.492 11.072 -12.855 868 H4* C 356 H4* C 356 35.046 10.951 -10.497 869 H3* C 356 H3* C 356 32.685 11.662 -12.224 870 H2* C 356 H2* C 356 31.275 11.565 -10.325 871 2HO* C 356 2HO* C 356 32.207 9.744 -9.384 872 H1* C 356 H1* C 356 33.156 12.996 -8.722 873 1H4 C 356 1H4 C 356 28.648 17.283 -10.161 874 2H4 C 356 2H4 C 356 29.360 17.483 -11.746 875 H5 C 356 H5 C 356 31.161 16.185 -12.554 876 H6 C 356 H6 C 356 32.738 14.358 -12.033 877 1H5* C 357 1H5* C 357 32.455 8.022 -10.384 878 2H5* C 357 2H5* C 357 32.109 6.478 -11.162 879 H4* C 357 H4* C 357 30.637 6.464 -9.397 880 H3* C 357 H3* C 357 29.227 7.464 -11.843 881 H2* C 357 H2* C 357 27.215 7.764 -10.625 882 2HO* C 357 2HO* C 357 27.976 7.056 -8.141 883 H1* C 357 H1* C 357 28.376 9.163 -8.548 884 1H4 C 357 1H4 C 357 26.755 13.595 -12.877 885 2H4 C 357 2H4 C 357 28.369 13.476 -13.542 886 H5 C 357 H5 C 357 29.964 11.878 -12.848 887 H6 C 357 H6 C 357 30.407 9.983 -11.327 888 1H5* U 358 1H5* U 358 26.209 5.697 -10.034 889 2H5* U 358 2H5* U 358 25.756 4.296 -11.005 890 H4* U 358 H4* U 358 23.743 5.391 -10.723 891 H3* U 358 H3* U 358 24.925 6.234 -13.363 892 H2* U 358 H2* U 358 22.945 7.463 -13.823 893 2HO* U 358 2HO* U 358 22.049 6.274 -11.355 894 H1* U 358 H1* U 358 22.904 8.619 -11.242 895 H3 U 358 H3 U 358 23.766 12.242 -13.794 896 H5 U 358 H5 U 358 27.307 10.018 -14.028 897 H6 U 358 H6 U 358 26.156 8.239 -12.796 898 1H5* G 359 1H5* G 359 21.366 4.369 -13.431 899 2H5* G 359 2H5* G 359 20.696 3.277 -14.644 900 H4* G 359 H4* G 359 19.169 5.049 -14.485 901 H3* G 359 H3* G 359 20.920 5.323 -16.920 902 H2* G 359 H2* G 359 19.645 7.204 -17.604 903 2HO* G 359 2HO* G 359 17.697 6.115 -16.829 904 H1* G 359 H1* G 359 19.688 8.342 -15.010 905 H8 G 359 H8 G 359 23.038 6.998 -15.905 906 H1 G 359 H1 G 359 21.895 12.862 -18.391 907 1H2 G 359 1H2 G 359 19.904 13.339 -18.144 908 2H2 G 359 2H2 G 359 18.721 12.305 -17.378 909 1H5* G 360 1H5* G 360 16.919 4.513 -17.736 910 2H5* G 360 2H5* G 360 16.327 3.461 -19.022 911 H4* G 360 H4* G 360 15.297 5.488 -19.467 912 H3* G 360 H3* G 360 17.748 5.199 -21.184 913 H2* G 360 H2* G 360 17.229 7.252 -22.264 914 2HO* G 360 2HO* G 360 14.863 7.051 -20.632 915 H1* G 360 H1* G 360 16.794 8.614 -19.857 916 H8 G 360 H8 G 360 19.652 6.248 -19.476 917 H1 G 360 H1 G 360 21.305 11.852 -22.259 918 1H2 G 360 1H2 G 360 19.603 12.915 -22.732 919 2H2 G 360 2H2 G 360 17.970 12.369 -22.421 920 1H5* G 361 1H5* G 361 14.114 4.283 -23.642 921 2H5* G 361 2H5* G 361 14.341 3.229 -25.037 922 H4* G 361 H4* G 361 13.962 5.422 -25.857 923 H3* G 361 H3* G 361 16.791 4.468 -26.124 924 H2* G 361 H2* G 361 17.410 6.489 -27.208 925 2HO* G 361 2HO* G 361 15.338 7.996 -27.340 926 H1* G 361 H1* G 361 16.151 8.098 -25.274 927 H8 G 361 H8 G 361 17.850 5.235 -23.615 928 H1 G 361 H1 G 361 21.865 10.103 -25.055 929 1H2 G 361 1H2 G 361 20.901 11.451 -26.280 930 2H2 G 361 2H2 G 361 19.249 11.287 -26.836 931 1H5* A 362 1H5* A 362 14.687 5.031 -29.733 932 2H5* A 362 2H5* A 362 14.866 4.068 -31.200 933 H4* A 362 H4* A 362 15.377 6.270 -31.825 934 H3* A 362 H3* A 362 17.847 4.594 -31.488 935 H2* A 362 H2* A 362 19.191 6.413 -32.210 936 2HO* A 362 2HO* A 362 17.088 8.208 -32.510 937 H1* A 362 H1* A 362 17.977 8.260 -30.515 938 H8 A 362 H8 A 362 18.092 5.106 -28.611 939 1H6 A 362 1H6 A 362 24.027 6.429 -27.204 940 2H6 A 362 2H6 A 362 22.684 5.372 -26.832 941 H2 A 362 H2 A 362 22.687 9.249 -30.364 942 1H5* G 363 1H5* G 363 18.592 7.096 -34.818 943 2H5* G 363 2H5* G 363 19.528 6.131 -35.959 944 H4* G 363 H4* G 363 20.579 8.230 -34.819 945 H3* G 363 H3* G 363 21.918 5.597 -35.364 946 H2* G 363 H2* G 363 23.948 6.422 -34.460 947 2HO* G 363 2HO* G 363 24.137 8.678 -34.196 948 H1* G 363 H1* G 363 22.779 7.445 -32.157 949 H8 G 363 H8 G 363 20.869 4.385 -32.837 950 H1 G 363 H1 G 363 26.714 3.126 -30.360 951 1H2 G 363 1H2 G 363 27.865 4.838 -30.407 952 2H2 G 363 2H2 G 363 27.325 6.383 -31.024 953 1H5* A 364 1H5* A 364 24.387 4.380 -38.378 954 2H5* A 364 2H5* A 364 24.476 4.340 -36.616 955 H4* A 364 H4* A 364 26.657 4.028 -37.794 956 H3* A 364 H3* A 364 26.170 5.773 -35.542 957 H2* A 364 H2* A 364 27.224 7.589 -36.505 958 2HO* A 364 2HO* A 364 28.952 7.183 -35.253 959 H1* A 364 H1* A 364 28.647 5.575 -38.334 960 H8 A 364 H8 A 364 30.311 6.975 -39.592 961 1H6 A 364 1H6 A 364 28.132 12.569 -41.298 962 2H6 A 364 2H6 A 364 29.502 11.486 -41.411 963 H2 A 364 H2 A 364 25.016 10.549 -38.857 964 1H5* G 365 1H5* G 365 30.026 4.736 -33.594 965 2H5* G 365 2H5* G 365 30.856 3.191 -33.778 966 H4* G 365 H4* G 365 29.840 4.472 -31.398 967 H3* G 365 H3* G 365 31.943 2.617 -32.116 968 H2* G 365 H2* G 365 30.937 0.817 -31.075 969 2HO* G 365 2HO* G 365 32.592 1.757 -29.672 970 H1* G 365 H1* G 365 29.323 2.870 -29.464 971 H8 G 365 H8 G 365 27.686 1.677 -27.993 972 H1 G 365 H1 G 365 27.699 -3.641 -31.679 973 1H2 G 365 1H2 G 365 28.929 -3.349 -33.308 974 2H2 G 365 2H2 G 365 29.824 -1.880 -33.627 975 1H5* G 366 1H5* G 366 34.996 6.612 -30.936 976 2H5* G 366 2H5* G 366 36.041 5.586 -29.952 977 H4* G 366 H4* G 366 34.400 6.643 -28.046 978 H3* G 366 H3* G 366 33.536 8.246 -29.972 979 H2* G 366 H2* G 366 35.670 8.957 -30.783 980 2HO* G 366 2HO* G 366 34.303 10.710 -30.358 981 H1* G 366 H1* G 366 36.433 9.483 -27.866 982 H8 G 366 H8 G 366 38.982 7.488 -28.509 983 H1 G 366 H1 G 366 39.927 12.647 -32.299 984 1H2 G 366 1H2 G 366 38.158 13.687 -32.501 985 2H2 G 366 2H2 G 366 36.644 13.229 -31.755 986 1H5* U 367 1H5* U 367 32.486 10.893 -29.539 987 2H5* U 367 2H5* U 367 31.755 11.293 -27.985 988 H4* U 367 H4* U 367 30.804 12.119 -30.372 989 H3* U 367 H3* U 367 29.435 11.710 -27.732 990 H2* U 367 H2* U 367 27.350 12.312 -28.694 991 2HO* U 367 2HO* U 367 29.020 12.866 -30.976 992 H1* U 367 H1* U 367 27.611 10.620 -30.879 993 H3 U 367 H3 U 367 24.654 8.225 -28.481 994 H5 U 367 H5 U 367 28.159 7.951 -26.205 995 H6 U 367 H6 U 367 29.188 9.522 -27.783 996 1H5* C 368 1H5* C 368 28.224 14.909 -29.147 997 2H5* C 368 2H5* C 368 28.132 16.475 -28.341 998 H4* C 368 H4* C 368 25.936 15.947 -29.000 999 H3* C 368 H3* C 368 26.346 15.452 -26.051 1000 H2* C 368 H2* C 368 24.025 15.045 -25.842 1001 2HO* C 368 2HO* C 368 23.981 15.937 -28.583 1002 H1* C 368 H1* C 368 23.972 13.495 -28.244 1003 1H4 C 368 1H4 C 368 23.714 9.197 -23.531 1004 2H4 C 368 2H4 C 368 25.437 9.375 -23.287 1005 H5 C 368 H5 C 368 26.769 10.958 -24.426 1006 H6 C 368 H6 C 368 26.777 12.778 -26.094 1007 1H5* C 369 1H5* C 369 23.976 18.586 -26.861 1008 2H5* C 369 2H5* C 369 23.800 20.147 -26.061 1009 H4* C 369 H4* C 369 21.766 19.241 -25.593 1010 H3* C 369 H3* C 369 23.564 18.375 -23.333 1011 H2* C 369 H2* C 369 21.691 17.370 -22.280 1012 2HO* C 369 2HO* C 369 19.848 18.441 -22.685 1013 H1* C 369 H1* C 369 20.802 16.174 -24.688 1014 1H4 C 369 1H4 C 369 23.891 11.333 -21.961 1015 2H4 C 369 2H4 C 369 25.381 12.251 -21.939 1016 H5 C 369 H5 C 369 25.560 14.484 -22.688 1017 H6 C 369 H6 C 369 24.345 16.403 -23.653 1018 1H5* C 370 1H5* C 370 20.504 20.798 -22.245 1019 2H5* C 370 2H5* C 370 20.364 21.848 -20.834 1020 H4* C 370 H4* C 370 18.826 20.098 -20.502 1021 H3* C 370 H3* C 370 21.318 19.710 -18.847 1022 H2* C 370 H2* C 370 20.262 17.879 -17.769 1023 2HO* C 370 2HO* C 370 17.981 18.713 -19.321 1024 H1* C 370 H1* C 370 19.296 16.837 -20.231 1025 1H4 C 370 1H4 C 370 24.390 13.213 -18.997 1026 2H4 C 370 2H4 C 370 25.448 14.559 -19.352 1027 H5 C 370 H5 C 370 24.684 16.735 -19.860 1028 H6 C 370 H6 C 370 22.695 18.169 -20.155 1029 1H5* A 371 1H5* A 371 18.134 21.378 -15.668 1030 2H5* A 371 2H5* A 371 19.128 21.699 -14.248 1031 H4* A 371 H4* A 371 17.287 19.954 -14.028 1032 H3* A 371 H3* A 371 20.128 19.538 -13.152 1033 H2* A 371 H2* A 371 19.563 17.389 -12.297 1034 2HO* A 371 2HO* A 371 17.512 17.366 -11.593 1035 H1* A 371 H1* A 371 18.288 16.583 -14.635 1036 H8 A 371 H8 A 371 21.115 18.642 -15.772 1037 1H6 A 371 1H6 A 371 24.800 13.672 -14.955 1038 2H6 A 371 2H6 A 371 24.719 15.280 -15.639 1039 H2 A 371 H2 A 371 20.863 12.807 -13.084 1040 1H5* G 372 1H5* G 372 17.523 18.355 -9.750 1041 2H5* G 372 2H5* G 372 18.194 19.225 -8.370 1042 H4* G 372 H4* G 372 17.907 16.940 -7.749 1043 H3* G 372 H3* G 372 20.743 17.842 -8.085 1044 H2* G 372 H2* G 372 21.551 15.694 -7.473 1045 2HO* G 372 2HO* G 372 20.018 15.269 -5.877 1046 H1* G 372 H1* G 372 19.779 14.362 -9.215 1047 H8 G 372 H8 G 372 21.060 17.341 -10.980 1048 H1 G 372 H1 G 372 25.303 12.455 -10.924 1049 1H2 G 372 1H2 G 372 24.672 11.010 -9.594 1050 2H2 G 372 2H2 G 372 23.212 11.108 -8.638 1051 1H5* G 373 1H5* G 373 19.931 16.589 -4.317 1052 2H5* G 373 2H5* G 373 20.416 17.340 -2.796 1053 H4* G 373 H4* G 373 21.375 15.204 -2.766 1054 H3* G 373 H3* G 373 23.382 17.328 -3.449 1055 H2* G 373 H2* G 373 25.112 15.697 -3.516 1056 2HO* G 373 2HO* G 373 23.001 13.908 -2.714 1057 H1* G 373 H1* G 373 23.708 13.975 -5.182 1058 H8 G 373 H8 G 373 22.757 17.352 -6.302 1059 H1 G 373 H1 G 373 28.662 15.645 -8.325 1060 1H2 G 373 1H2 G 373 29.268 13.946 -7.326 1061 2H2 G 373 2H2 G 373 28.318 13.108 -6.120 1062 1H5* G 374 1H5* G 374 24.290 14.969 -0.475 1063 2H5* G 374 2H5* G 374 24.971 15.341 1.108 1064 H4* G 374 H4* G 374 26.441 13.768 0.262 1065 H3* G 374 H3* G 374 27.521 16.529 -0.168 1066 H2* G 374 H2* G 374 29.467 15.654 -1.215 1067 2HO* G 374 2HO* G 374 28.265 13.153 -0.441 1068 H1* G 374 H1* G 374 28.004 13.954 -2.901 1069 H8 G 374 H8 G 374 26.162 17.155 -2.644 1070 H1 G 374 H1 G 374 31.157 17.449 -6.749 1071 1H2 G 374 1H2 G 374 32.330 15.768 -6.527 1072 2H2 G 374 2H2 G 374 32.009 14.472 -5.397 1073 1H5* U 375 1H5* U 375 30.978 14.151 1.004 1074 2H5* U 375 2H5* U 375 31.580 15.001 2.427 1075 H4* U 375 H4* U 375 33.431 14.679 1.001 1076 H3* U 375 H3* U 375 32.420 17.496 1.051 1077 H2* U 375 H2* U 375 34.107 18.187 -0.469 1078 2HO* U 375 2HO* U 375 35.887 17.023 0.009 1079 H1* U 375 H1* U 375 33.629 16.017 -2.214 1080 H3 U 375 H3 U 375 32.193 19.462 -4.749 1081 H5 U 375 H5 U 375 29.319 19.228 -1.711 1082 H6 U 375 H6 U 375 30.725 17.526 -0.647 1083 1H5* U 376 1H5* U 376 36.784 17.812 1.777 1084 2H5* U 376 2H5* U 376 37.001 19.151 2.903 1085 H4* U 376 H4* U 376 38.230 19.465 0.797 1086 H3* U 376 H3* U 376 36.099 21.442 1.561 1087 H2* U 376 H2* U 376 36.655 22.777 -0.322 1088 2HO* U 376 2HO* U 376 38.713 22.574 -1.042 1089 H1* U 376 H1* U 376 36.724 20.509 -2.039 1090 H3 U 376 H3 U 376 33.319 23.164 -3.544 1091 H5 U 376 H5 U 376 31.710 21.097 -0.277 1092 H6 U 376 H6 U 376 33.975 20.282 0.196 1093 2H ALA 1 HN ALA 1 37.475 -15.336 18.696 1094 HA ALA 1 HA ALA 1 37.426 -15.868 15.949 1095 1HB ALA 1 1HB ALA 1 35.748 -16.184 18.151 1096 2HB ALA 1 2HB ALA 1 34.874 -15.021 17.126 1097 3HB ALA 1 3HB ALA 1 35.355 -16.603 16.466 1098 H THR 2 HN THR 2 36.142 -14.646 14.287 1099 HA THR 2 HA THR 2 37.107 -12.050 14.013 1100 HB THR 2 HB THR 2 35.501 -12.021 12.079 1101 HG1 THR 2 HG1 THR 2 33.708 -13.266 12.431 1102 1HG2 THR 2 1HG2 THR 2 36.555 -13.708 10.871 1103 2HG2 THR 2 2HG2 THR 2 37.630 -13.723 12.290 1104 3HG2 THR 2 3HG2 THR 2 36.313 -14.913 12.157 1105 H VAL 3 HN VAL 3 36.701 -10.316 15.223 1106 HA VAL 3 HA VAL 3 33.903 -9.729 15.782 1107 HB VAL 3 HB VAL 3 36.097 -10.006 17.834 1108 1HG1 VAL 3 1HG1 VAL 3 35.197 -7.931 18.440 1109 2HG1 VAL 3 2HG1 VAL 3 33.548 -8.393 17.953 1110 3HG1 VAL 3 3HG1 VAL 3 34.271 -9.091 19.422 1111 1HG2 VAL 3 1HG2 VAL 3 34.270 -11.318 19.008 1112 2HG2 VAL 3 2HG2 VAL 3 33.343 -11.222 17.492 1113 3HG2 VAL 3 3HG2 VAL 3 34.918 -12.050 17.521 1114 H VAL 4 HN VAL 4 33.475 -7.468 15.976 1115 HA VAL 4 HA VAL 4 35.587 -5.863 14.783 1116 HB VAL 4 HB VAL 4 32.636 -5.408 15.250 1117 1HG1 VAL 4 1HG1 VAL 4 34.261 -3.351 15.293 1118 2HG1 VAL 4 2HG1 VAL 4 34.339 -3.618 13.535 1119 3HG1 VAL 4 3HG1 VAL 4 32.774 -3.291 14.316 1120 1HG2 VAL 4 1HG2 VAL 4 33.333 -5.276 12.508 1121 2HG2 VAL 4 2HG2 VAL 4 34.134 -6.722 13.170 1122 3HG2 VAL 4 3HG2 VAL 4 32.373 -6.524 13.338 1123 H SER 5 HN SER 5 36.929 -4.697 16.050 1124 HA SER 5 HA SER 5 37.726 -3.592 17.738 1125 1HB SER 5 2HB SER 5 34.868 -2.738 17.701 1126 2HB SER 5 3HB SER 5 35.723 -2.397 19.192 1127 HG SER 5 HG SER 5 36.540 -0.708 18.173 1128 H GLY 6 HN GLY 6 34.613 -4.264 19.440 1129 1HA GLY 6 1HA GLY 6 34.254 -5.243 21.448 1130 2HA GLY 6 2HA GLY 6 35.054 -6.608 20.695 1131 H GLN 7 HN GLN 7 36.757 -7.433 21.820 1132 HA GLN 7 HA GLN 7 37.830 -5.907 23.959 1133 1HB GLN 7 2HB GLN 7 37.698 -8.677 23.180 1134 2HB GLN 7 3HB GLN 7 39.383 -8.279 23.450 1135 1HG GLN 7 2HG GLN 7 37.532 -7.170 25.500 1136 2HG GLN 7 3HG GLN 7 37.567 -8.921 25.443 1137 1HE2 GLN 7 1HE2 GLN 7 38.746 -6.530 27.108 1138 2HE2 GLN 7 2HE2 GLN 7 40.357 -7.048 27.479 1139 H LYS 8 HN LYS 8 40.577 -6.810 23.912 1140 HA LYS 8 HA LYS 8 41.560 -5.228 21.639 1141 1HB LYS 8 2HB LYS 8 41.753 -4.432 24.167 1142 2HB LYS 8 3HB LYS 8 43.133 -5.511 24.172 1143 1HG LYS 8 2HG LYS 8 43.437 -4.126 21.756 1144 2HG LYS 8 3HG LYS 8 42.799 -2.897 22.829 1145 1HD LYS 8 2HD LYS 8 44.788 -4.397 24.290 1146 2HD LYS 8 3HD LYS 8 45.475 -3.971 22.734 1147 1HE LYS 8 2HE LYS 8 45.992 -2.073 24.028 1148 2HE LYS 8 3HE LYS 8 44.525 -1.566 23.214 1149 1HZ LYS 8 1HZ LYS 8 44.939 -1.722 25.910 1150 2HZ LYS 8 2HZ LYS 8 43.528 -1.399 25.154 1151 3HZ LYS 8 3HZ LYS 8 43.894 -2.932 25.579 1152 H GLN 9 HN GLN 9 42.046 -6.789 20.131 1153 HA GLN 9 HA GLN 9 43.698 -8.981 21.114 1154 1HB GLN 9 2HB GLN 9 41.378 -9.267 19.801 1155 2HB GLN 9 3HB GLN 9 42.400 -9.045 18.395 1156 1HG GLN 9 2HG GLN 9 42.547 -11.360 18.653 1157 2HG GLN 9 3HG GLN 9 43.950 -10.853 19.574 1158 1HE2 GLN 9 1HE2 GLN 9 40.464 -11.464 19.902 1159 2HE2 GLN 9 2HE2 GLN 9 40.507 -12.156 21.489 1160 H ASP 10 HN ASP 10 45.511 -9.693 19.684 1161 HA ASP 10 HA ASP 10 47.084 -7.558 18.970 1162 1HB ASP 10 2HB ASP 10 47.209 -10.462 18.026 1163 2HB ASP 10 3HB ASP 10 48.514 -9.308 17.837 1164 H ARG 11 HN ARG 11 47.327 -6.415 17.008 1165 HA ARG 11 HA ARG 11 46.086 -7.585 14.671 1166 1HB ARG 11 2HB ARG 11 44.965 -5.407 16.132 1167 2HB ARG 11 3HB ARG 11 45.691 -4.681 14.712 1168 1HG ARG 11 2HG ARG 11 43.928 -5.376 13.473 1169 2HG ARG 11 3HG ARG 11 44.379 -7.040 13.786 1170 1HD ARG 11 2HD ARG 11 42.495 -7.295 15.026 1171 2HD ARG 11 3HD ARG 11 43.112 -6.125 16.176 1172 HE ARG 11 HE ARG 11 42.121 -4.479 14.234 1173 1HH1 ARG 11 2HH2 ARG 11 40.729 -7.280 15.847 1174 2HH1 ARG 11 1HH2 ARG 11 39.097 -6.717 15.693 1175 1HH2 ARG 11 2HH1 ARG 11 39.970 -3.737 14.030 1176 2HH2 ARG 11 1HH1 ARG 11 38.663 -4.689 14.651 1177 H GLN 12 HN GLN 12 46.687 -6.056 12.646 1178 HA GLN 12 HA GLN 12 49.335 -4.947 13.102 1179 1HB GLN 12 2HB GLN 12 48.548 -7.088 11.110 1180 2HB GLN 12 3HB GLN 12 49.873 -6.001 10.744 1181 1HG GLN 12 2HG GLN 12 50.568 -6.689 13.292 1182 2HG GLN 12 3HG GLN 12 49.691 -8.138 12.840 1183 1HE2 GLN 12 1HE2 GLN 12 52.645 -6.935 13.049 1184 2HE2 GLN 12 2HE2 GLN 12 53.470 -7.724 11.748 1185 H GLY 13 HN GLY 13 48.195 -2.870 13.024 1186 1HA GLY 13 1HA GLY 13 47.085 -2.195 10.377 1187 2HA GLY 13 2HA GLY 13 46.754 -1.366 11.884 1188 H GLY 14 HN GLY 14 47.833 -0.338 9.254 1189 1HA GLY 14 1HA GLY 14 50.579 0.401 9.901 1190 2HA GLY 14 2HA GLY 14 49.705 0.725 8.418 1191 H GLU 15 HN GLU 15 49.416 2.883 8.101 1192 HA GLU 15 HA GLU 15 47.874 4.447 9.647 1193 1HB GLU 15 2HB GLU 15 50.368 4.079 10.979 1194 2HB GLU 15 3HB GLU 15 50.394 5.714 10.351 1195 1HG GLU 15 2HG GLU 15 47.792 5.476 11.364 1196 2HG GLU 15 3HG GLU 15 48.746 4.564 12.518 1197 H ARG 16 HN ARG 16 48.520 6.988 9.237 1198 HA ARG 16 HA ARG 16 50.053 7.324 6.877 1199 1HB ARG 16 2HB ARG 16 47.190 6.868 6.651 1200 2HB ARG 16 3HB ARG 16 47.532 8.518 6.172 1201 1HG ARG 16 2HG ARG 16 49.557 7.294 4.845 1202 2HG ARG 16 3HG ARG 16 48.442 5.943 4.911 1203 1HD ARG 16 2HD ARG 16 47.236 8.565 4.109 1204 2HD ARG 16 3HD ARG 16 48.376 7.880 2.967 1205 HE ARG 16 HE ARG 16 45.787 6.691 3.792 1206 1HH1 ARG 16 2HH2 ARG 16 48.774 6.355 1.963 1207 2HH1 ARG 16 1HH2 ARG 16 48.168 5.074 0.966 1208 1HH2 ARG 16 2HH1 ARG 16 44.988 5.002 2.478 1209 2HH2 ARG 16 1HH1 ARG 16 46.000 4.300 1.261 1210 H ARG 17 HN ARG 17 47.106 9.110 7.999 1211 HA ARG 17 HA ARG 17 46.814 11.082 8.831 1212 1HB ARG 17 2HB ARG 17 48.867 9.975 10.415 1213 2HB ARG 17 3HB ARG 17 49.477 11.570 10.021 1214 1HG ARG 17 2HG ARG 17 46.600 11.356 10.894 1215 2HG ARG 17 3HG ARG 17 47.835 11.148 12.119 1216 1HD ARG 17 2HD ARG 17 48.807 13.343 11.608 1217 2HD ARG 17 3HD ARG 17 47.760 13.537 10.216 1218 HE ARG 17 HE ARG 17 46.996 13.849 13.046 1219 1HH1 ARG 17 2HH2 ARG 17 45.874 13.474 9.732 1220 2HH1 ARG 17 1HH2 ARG 17 44.305 14.133 10.053 1221 1HH2 ARG 17 2HH1 ARG 17 44.926 14.720 13.471 1222 2HH2 ARG 17 1HH1 ARG 17 43.763 14.847 12.194 1223 H ARG 18 HN ARG 18 47.142 13.345 8.307 1224 HA ARG 18 HA ARG 18 48.721 13.676 5.979 1225 1HB ARG 18 2HB ARG 18 46.972 15.572 7.613 1226 2HB ARG 18 3HB ARG 18 47.828 16.099 6.177 1227 1HG ARG 18 2HG ARG 18 46.557 14.699 4.740 1228 2HG ARG 18 3HG ARG 18 46.069 13.633 6.043 1229 1HD ARG 18 2HD ARG 18 44.616 15.400 6.996 1230 2HD ARG 18 3HD ARG 18 45.167 16.544 5.789 1231 HE ARG 18 HE ARG 18 43.705 15.574 4.244 1232 1HH1 ARG 18 2HH2 ARG 18 44.226 13.318 6.893 1233 2HH1 ARG 18 1HH2 ARG 18 43.040 12.187 6.332 1234 1HH2 ARG 18 2HH1 ARG 18 42.140 14.083 3.504 1235 2HH2 ARG 18 1HH1 ARG 18 41.846 12.625 4.391 1236 H SER 19 HN SER 19 50.595 13.004 7.789 1237 HA SER 19 HA SER 19 52.377 13.589 8.889 1238 1HB SER 19 2HB SER 19 52.095 15.747 6.818 1239 2HB SER 19 3HB SER 19 53.311 15.989 8.057 1240 HG SER 19 HG SER 19 53.616 13.452 7.281 1241 H GLN 20 HN GLN 20 49.886 14.220 10.210 1242 HA GLN 20 HA GLN 20 49.092 15.298 11.920 1243 1HB GLN 20 2HB GLN 20 52.041 15.852 12.248 1244 2HB GLN 20 3HB GLN 20 50.911 16.647 13.325 1245 1HG GLN 20 2HG GLN 20 50.130 14.600 14.239 1246 2HG GLN 20 3HG GLN 20 50.682 13.660 12.867 1247 1HE2 GLN 20 1HE2 GLN 20 51.436 14.983 15.925 1248 2HE2 GLN 20 2HE2 GLN 20 53.064 14.415 16.085 1249 H LEU 21 HN LEU 21 48.768 16.567 9.420 1250 HA LEU 21 HA LEU 21 49.569 19.165 9.193 1251 1HB LEU 21 2HB LEU 21 48.111 17.565 7.704 1252 2HB LEU 21 3HB LEU 21 46.770 18.381 8.482 1253 HG LEU 21 HG LEU 21 48.886 19.551 6.676 1254 1HD1 LEU 21 1HD1 LEU 21 46.721 18.471 5.823 1255 2HD1 LEU 21 2HD1 LEU 21 45.894 19.891 6.506 1256 3HD1 LEU 21 3HD1 LEU 21 47.124 20.103 5.238 1257 1HD2 LEU 21 1HD2 LEU 21 47.305 20.918 8.797 1258 2HD2 LEU 21 2HD2 LEU 21 48.912 21.296 8.129 1259 3HD2 LEU 21 3HD2 LEU 21 47.445 21.732 7.220 1260 H ASP 22 HN ASP 22 49.723 20.357 11.094 1261 HA ASP 22 HA ASP 22 47.664 20.397 12.977 1262 1HB ASP 22 2HB ASP 22 50.281 21.267 12.869 1263 2HB ASP 22 3HB ASP 22 49.431 22.795 12.759 1264 H ARG 23 HN ARG 23 46.246 22.308 13.491 1265 HA ARG 23 HA ARG 23 45.040 23.302 11.190 1266 1HB ARG 23 2HB ARG 23 44.764 23.812 14.163 1267 2HB ARG 23 3HB ARG 23 43.936 24.885 13.053 1268 1HG ARG 23 2HG ARG 23 43.647 21.843 13.105 1269 2HG ARG 23 3HG ARG 23 42.488 22.979 13.767 1270 1HD ARG 23 2HD ARG 23 43.095 23.725 11.018 1271 2HD ARG 23 3HD ARG 23 42.656 22.029 11.072 1272 HE ARG 23 HE ARG 23 40.813 23.528 12.690 1273 1HH1 ARG 23 2HH2 ARG 23 41.650 22.966 9.318 1274 2HH1 ARG 23 1HH2 ARG 23 40.055 23.305 8.733 1275 1HH2 ARG 23 2HH1 ARG 23 38.709 23.975 11.918 1276 2HH2 ARG 23 1HH1 ARG 23 38.372 23.883 10.222 1277 H ASP 24 HN ASP 24 47.939 24.182 12.675 1278 HA ASP 24 HA ASP 24 47.729 26.846 11.521 1279 1HB ASP 24 2HB ASP 24 48.252 26.121 14.281 1280 2HB ASP 24 3HB ASP 24 49.698 26.855 13.617 1281 H GLN 25 HN GLN 25 48.766 24.135 10.588 1282 HA GLN 25 HA GLN 25 51.581 24.870 10.347 1283 1HB GLN 25 2HB GLN 25 51.186 22.748 11.611 1284 2HB GLN 25 3HB GLN 25 50.345 22.083 10.224 1285 1HG GLN 25 2HG GLN 25 52.328 22.030 8.888 1286 2HG GLN 25 3HG GLN 25 53.175 23.150 9.937 1287 1HE2 GLN 25 1HE2 GLN 25 53.628 20.314 8.967 1288 2HE2 GLN 25 2HE2 GLN 25 54.017 19.400 10.385 1289 H CYS 26 HN CYS 26 52.437 25.087 8.279 1290 HA CYS 26 HA CYS 26 50.679 25.472 6.173 1291 1HB CYS 26 2HB CYS 26 52.921 26.518 6.358 1292 2HB CYS 26 3HB CYS 26 53.671 24.966 6.045 1293 H ALA 27 HN ALA 27 49.832 24.071 4.630 1294 HA ALA 27 HA ALA 27 50.578 21.261 4.928 1295 1HB ALA 27 1HB ALA 27 48.442 20.794 3.904 1296 2HB ALA 27 2HB ALA 27 48.181 22.031 5.155 1297 3HB ALA 27 3HB ALA 27 48.232 22.499 3.439 1298 H TYR 28 HN TYR 28 52.243 23.380 3.543 1299 HA TYR 28 HA TYR 28 52.224 22.131 0.877 1300 1HB TYR 28 2HB TYR 28 51.507 24.614 1.121 1301 2HB TYR 28 3HB TYR 28 53.096 24.946 1.781 1302 HD1 TYR 28 HD1 TYR 28 51.153 24.895 -1.165 1303 HD2 TYR 28 HD2 TYR 28 55.133 24.208 0.247 1304 HE1 TYR 28 HE1 TYR 28 52.058 25.269 -3.512 1305 HE2 TYR 28 HE2 TYR 28 56.024 24.585 -2.105 1306 HH TYR 28 HH TYR 28 53.907 24.785 -4.823 1307 H CYS 29 HN CYS 29 54.379 24.184 2.974 1308 HA CYS 29 HA CYS 29 56.606 22.559 2.066 1309 1HB CYS 29 2HB CYS 29 58.018 24.300 3.091 1310 2HB CYS 29 3HB CYS 29 56.905 24.964 1.912 1311 H LYS 30 HN LYS 30 54.281 22.691 4.557 1312 HA LYS 30 HA LYS 30 54.048 21.497 6.410 1313 1HB LYS 30 2HB LYS 30 56.382 20.218 5.187 1314 2HB LYS 30 3HB LYS 30 56.397 20.110 6.936 1315 1HG LYS 30 2HG LYS 30 55.071 18.265 6.494 1316 2HG LYS 30 3HG LYS 30 53.807 19.476 6.574 1317 1HD LYS 30 2HD LYS 30 54.722 19.613 3.904 1318 2HD LYS 30 3HD LYS 30 54.725 17.899 4.270 1319 1HE LYS 30 2HE LYS 30 52.319 19.547 5.076 1320 2HE LYS 30 3HE LYS 30 52.509 19.109 3.390 1321 1HZ LYS 30 1HZ LYS 30 52.251 17.319 5.687 1322 2HZ LYS 30 2HZ LYS 30 51.330 17.382 4.340 1323 3HZ LYS 30 3HZ LYS 30 52.848 16.783 4.265 1324 H GLU 31 HN GLU 31 55.358 24.228 6.096 1325 HA GLU 31 HA GLU 31 57.046 24.280 8.429 1326 1HB GLU 31 2HB GLU 31 56.229 26.389 6.391 1327 2HB GLU 31 3HB GLU 31 57.177 26.780 7.813 1328 1HG GLU 31 2HG GLU 31 58.963 25.247 7.128 1329 2HG GLU 31 3HG GLU 31 57.991 24.627 5.808 1330 H LYS 32 HN LYS 32 56.170 24.495 10.437 1331 HA LYS 32 HA LYS 32 53.438 25.246 10.726 1332 1HB LYS 32 2HB LYS 32 53.809 24.823 13.089 1333 2HB LYS 32 3HB LYS 32 54.481 23.525 12.125 1334 1HG LYS 32 2HG LYS 32 56.528 25.538 12.444 1335 2HG LYS 32 3HG LYS 32 55.834 25.223 14.022 1336 1HD LYS 32 2HD LYS 32 56.074 22.652 13.017 1337 2HD LYS 32 3HD LYS 32 57.456 23.438 12.278 1338 1HE LYS 32 2HE LYS 32 58.089 24.317 14.597 1339 2HE LYS 32 3HE LYS 32 56.811 23.318 15.260 1340 1HZ LYS 32 1HZ LYS 32 59.176 22.402 13.787 1341 2HZ LYS 32 2HZ LYS 32 58.795 22.096 15.346 1342 3HZ LYS 32 3HZ LYS 32 57.919 21.422 14.143 1343 H GLY 33 HN GLY 33 52.572 27.229 11.089 1344 1HA GLY 33 1HA GLY 33 53.127 29.285 12.523 1345 2HA GLY 33 2HA GLY 33 54.473 29.456 11.414 1346 H HIS 34 HN HIS 34 53.551 28.919 8.922 1347 HA HIS 34 HA HIS 34 51.372 30.854 8.637 1348 1HB HIS 34 2HB HIS 34 52.296 31.453 6.510 1349 2HB HIS 34 3HB HIS 34 53.561 31.544 7.719 1350 HD1 HIS 34 HD1 HIS 34 55.621 30.059 7.410 1351 HD2 HIS 34 HD2 HIS 34 52.540 29.206 4.695 1352 HE1 HIS 34 HE1 HIS 34 56.612 28.464 5.683 1353 H TRP 35 HN TRP 35 49.897 30.472 6.728 1354 HA TRP 35 HA TRP 35 49.241 27.640 6.660 1355 1HB TRP 35 2HB TRP 35 47.786 30.188 6.320 1356 2HB TRP 35 3HB TRP 35 47.273 28.887 5.264 1357 HD1 TRP 35 HD1 TRP 35 48.206 28.820 9.074 1358 HE1 TRP 35 HE1 TRP 35 46.302 27.630 10.461 1359 HE3 TRP 35 HE3 TRP 35 45.124 27.976 5.118 1360 HZ2 TRP 35 HZ2 TRP 35 43.778 26.496 9.765 1361 HZ3 TRP 35 HZ3 TRP 35 42.959 26.822 5.559 1362 HH2 TRP 35 HH2 TRP 35 42.269 26.089 7.786 1363 H ALA 36 HN ALA 36 48.681 26.649 4.511 1364 HA ALA 36 HA ALA 36 50.768 26.974 2.695 1365 1HB ALA 36 1HB ALA 36 49.513 24.894 2.958 1366 2HB ALA 36 2HB ALA 36 48.022 25.690 2.399 1367 3HB ALA 36 3HB ALA 36 49.384 25.460 1.276 1368 H LYS 37 HN LYS 37 47.536 28.465 2.957 1369 HA LYS 37 HA LYS 37 47.485 29.500 0.336 1370 1HB LYS 37 2HB LYS 37 46.051 30.526 2.801 1371 2HB LYS 37 3HB LYS 37 45.618 30.828 1.131 1372 1HG LYS 37 2HG LYS 37 45.728 28.046 2.389 1373 2HG LYS 37 3HG LYS 37 44.262 28.992 2.231 1374 1HD LYS 37 2HD LYS 37 44.534 29.036 -0.244 1375 2HD LYS 37 3HD LYS 37 46.035 28.141 -0.107 1376 1HE LYS 37 2HE LYS 37 43.832 26.800 1.319 1377 2HE LYS 37 3HE LYS 37 43.458 27.040 -0.376 1378 1HZ LYS 37 1HZ LYS 37 44.700 24.983 0.173 1379 2HZ LYS 37 2HZ LYS 37 45.396 25.897 -0.987 1380 3HZ LYS 37 3HZ LYS 37 46.004 25.899 0.528 1381 H ASP 38 HN ASP 38 49.517 30.154 2.983 1382 HA ASP 38 HA ASP 38 50.131 32.743 1.798 1383 1HB ASP 38 2HB ASP 38 49.091 32.458 4.314 1384 2HB ASP 38 3HB ASP 38 50.795 32.276 4.686 1385 H CYS 39 HN CYS 39 51.161 29.906 1.399 1386 HA CYS 39 HA CYS 39 53.615 29.686 2.780 1387 1HB CYS 39 2HB CYS 39 52.342 27.753 1.841 1388 2HB CYS 39 3HB CYS 39 52.743 28.297 0.225 1389 HA PRO 40 HA PRO 40 55.837 32.420 0.189 1390 1HB PRO 40 2HB PRO 40 58.361 31.931 1.115 1391 2HB PRO 40 3HB PRO 40 57.244 33.022 1.909 1392 1HG PRO 40 2HG PRO 40 58.052 30.293 2.707 1393 2HG PRO 40 3HG PRO 40 57.293 31.541 3.676 1394 1HD PRO 40 2HD PRO 40 56.021 29.228 2.553 1395 2HD PRO 40 3HD PRO 40 55.242 30.534 3.422 1396 H LYS 41 HN LYS 41 55.632 29.222 -0.178 1397 HA LYS 41 HA LYS 41 57.771 29.027 -2.123 1398 1HB LYS 41 2HB LYS 41 56.655 27.235 -0.363 1399 2HB LYS 41 3HB LYS 41 55.864 26.795 -1.864 1400 1HG LYS 41 2HG LYS 41 57.818 26.059 -2.844 1401 2HG LYS 41 3HG LYS 41 58.789 27.322 -2.114 1402 1HD LYS 41 2HD LYS 41 57.758 24.814 -0.707 1403 2HD LYS 41 3HD LYS 41 59.414 25.112 -1.196 1404 1HE LYS 41 2HE LYS 41 59.174 27.300 0.295 1405 2HE LYS 41 3HE LYS 41 57.829 26.441 1.019 1406 1HZ LYS 41 1HZ LYS 41 59.763 24.586 0.955 1407 2HZ LYS 41 2HZ LYS 41 60.619 25.942 1.265 1408 3HZ LYS 41 3HZ LYS 41 59.394 25.506 2.253 1409 H LYS 42 HN LYS 42 54.324 29.697 -1.912 1410 HA LYS 42 HA LYS 42 53.343 28.894 -4.290 1411 1HB LYS 42 2HB LYS 42 52.885 31.417 -2.697 1412 2HB LYS 42 3HB LYS 42 51.999 31.101 -4.176 1413 1HG LYS 42 2HG LYS 42 51.970 28.685 -2.590 1414 2HG LYS 42 3HG LYS 42 51.522 30.020 -1.547 1415 1HD LYS 42 2HD LYS 42 50.045 30.640 -3.778 1416 2HD LYS 42 3HD LYS 42 50.084 28.894 -3.914 1417 1HE LYS 42 2HE LYS 42 49.520 29.160 -1.234 1418 2HE LYS 42 3HE LYS 42 48.751 30.606 -1.859 1419 1HZ LYS 42 1HZ LYS 42 47.745 28.093 -1.945 1420 2HZ LYS 42 2HZ LYS 42 47.168 29.385 -2.760 1421 3HZ LYS 42 3HZ LYS 42 48.214 28.362 -3.486 1422 HA PRO 43 HA PRO 43 56.211 30.934 -6.952 1423 1HB PRO 43 2HB PRO 43 55.883 29.260 -9.088 1424 2HB PRO 43 3HB PRO 43 57.057 28.975 -7.818 1425 1HG PRO 43 2HG PRO 43 54.471 27.622 -8.290 1426 2HG PRO 43 3HG PRO 43 55.828 27.089 -7.317 1427 1HD PRO 43 2HD PRO 43 53.369 28.216 -6.362 1428 2HD PRO 43 3HD PRO 43 54.770 27.791 -5.399 1429 H ARG 44 HN ARG 44 53.115 29.727 -8.151 1430 HA ARG 44 HA ARG 44 52.969 31.765 -10.065 1431 1HB ARG 44 2HB ARG 44 51.727 29.444 -9.926 1432 2HB ARG 44 3HB ARG 44 50.557 30.293 -8.933 1433 1HG ARG 44 2HG ARG 44 49.908 31.743 -10.702 1434 2HG ARG 44 3HG ARG 44 51.383 31.464 -11.606 1435 1HD ARG 44 2HD ARG 44 50.357 29.810 -12.771 1436 2HD ARG 44 3HD ARG 44 50.131 28.903 -11.289 1437 HE ARG 44 HE ARG 44 48.132 30.605 -12.628 1438 1HH1 ARG 44 2HH2 ARG 44 49.020 28.889 -9.688 1439 2HH1 ARG 44 1HH2 ARG 44 47.397 28.814 -9.089 1440 1HH2 ARG 44 2HH1 ARG 44 45.989 30.506 -11.839 1441 2HH2 ARG 44 1HH1 ARG 44 45.661 29.739 -10.321 1442 H GLY 45 HN GLY 45 53.237 33.811 -8.999 1443 1HA GLY 45 1HA GLY 45 50.928 34.605 -7.333 1444 2HA GLY 45 2HA GLY 45 52.573 35.015 -6.886 1445 HA PRO 46 HA PRO 46 50.788 36.470 -6.287 1446 1HB PRO 46 2HB PRO 46 48.732 38.271 -6.315 1447 2HB PRO 46 3HB PRO 46 50.370 38.693 -5.857 1448 1HG PRO 46 2HG PRO 46 48.932 39.300 -8.368 1449 2HG PRO 46 3HG PRO 46 50.376 40.053 -7.721 1450 1HD PRO 46 2HD PRO 46 50.248 38.141 -9.855 1451 2HD PRO 46 3HD PRO 46 51.698 38.807 -9.130 1452 H ARG 47 HN ARG 47 48.848 36.511 -9.178 1453 HA ARG 47 HA ARG 47 47.753 34.045 -8.493 1454 1HB ARG 47 2HB ARG 47 46.425 36.052 -7.160 1455 2HB ARG 47 3HB ARG 47 45.509 36.026 -8.653 1456 1HG ARG 47 2HG ARG 47 45.021 33.635 -8.389 1457 2HG ARG 47 3HG ARG 47 46.097 33.521 -7.010 1458 1HD ARG 47 2HD ARG 47 44.637 35.137 -5.752 1459 2HD ARG 47 3HD ARG 47 43.552 35.212 -7.126 1460 HE ARG 47 HE ARG 47 43.701 32.501 -6.638 1461 1HH1 ARG 47 2HH2 ARG 47 43.000 35.279 -4.592 1462 2HH1 ARG 47 1HH2 ARG 47 41.970 34.390 -3.520 1463 1HH2 ARG 47 2HH1 ARG 47 42.344 31.329 -5.222 1464 2HH2 ARG 47 1HH1 ARG 47 41.595 32.129 -3.881 1465 H GLY 48 HN GLY 48 47.415 33.081 -10.478 1466 1HA GLY 48 1HA GLY 48 46.801 34.868 -12.757 1467 2HA GLY 48 2HA GLY 48 47.829 33.452 -12.851 1468 HA PRO 49 HA PRO 49 43.253 32.155 -12.518 1469 1HB PRO 49 2HB PRO 49 41.419 33.950 -13.459 1470 2HB PRO 49 3HB PRO 49 41.777 33.750 -11.756 1471 1HG PRO 49 2HG PRO 49 42.600 35.926 -13.579 1472 2HG PRO 49 3HG PRO 49 42.576 35.913 -11.827 1473 1HD PRO 49 2HD PRO 49 44.880 35.643 -13.515 1474 2HD PRO 49 3HD PRO 49 44.839 35.514 -11.767 1475 H ARG 50 HN ARG 50 42.158 30.868 -14.012 1476 HA ARG 50 HA ARG 50 43.161 31.420 -16.684 1477 1HB ARG 50 2HB ARG 50 43.318 29.088 -15.141 1478 2HB ARG 50 3HB ARG 50 41.964 28.748 -16.199 1479 1HG ARG 50 2HG ARG 50 44.603 29.829 -17.270 1480 2HG ARG 50 3HG ARG 50 44.329 28.111 -17.057 1481 1HD ARG 50 2HD ARG 50 42.465 28.124 -18.626 1482 2HD ARG 50 3HD ARG 50 42.434 29.875 -18.673 1483 HE ARG 50 HE ARG 50 44.995 28.672 -19.497 1484 1HH1 ARG 50 2HH2 ARG 50 41.861 29.887 -20.535 1485 2HH1 ARG 50 1HH2 ARG 50 42.363 30.153 -22.172 1486 1HH2 ARG 50 2HH1 ARG 50 45.658 29.022 -21.656 1487 2HH2 ARG 50 1HH1 ARG 50 44.537 29.658 -22.813 1488 HA PRO 51 HA PRO 51 38.886 32.170 -17.502 1489 1HB PRO 51 2HB PRO 51 39.197 33.222 -20.006 1490 2HB PRO 51 3HB PRO 51 39.322 34.178 -18.543 1491 1HG PRO 51 2HG PRO 51 41.481 33.220 -20.321 1492 2HG PRO 51 3HG PRO 51 41.530 34.501 -19.126 1493 1HD PRO 51 2HD PRO 51 42.613 31.859 -18.855 1494 2HD PRO 51 3HD PRO 51 42.559 33.101 -17.621 1495 H GLN 52 HN GLN 52 37.343 31.792 -19.525 1496 HA GLN 52 HA GLN 52 38.161 29.574 -21.064 1497 1HB GLN 52 2HB GLN 52 36.567 27.914 -20.170 1498 2HB GLN 52 3HB GLN 52 37.734 28.377 -18.948 1499 1HG GLN 52 2HG GLN 52 36.146 29.797 -17.815 1500 2HG GLN 52 3HG GLN 52 35.031 29.760 -19.166 1501 1HE2 GLN 52 1HE2 GLN 52 33.336 29.003 -17.963 1502 2HE2 GLN 52 2HE2 GLN 52 33.226 27.385 -17.355 1503 H THR 53 HN THR 53 36.333 28.836 -22.545 1504 HA THR 53 HA THR 53 33.984 30.496 -22.602 1505 HB THR 53 HB THR 53 35.735 31.986 -23.613 1506 HG1 THR 53 HG1 THR 53 33.397 31.602 -24.412 1507 1HG2 THR 53 1HG2 THR 53 37.238 31.215 -25.153 1508 2HG2 THR 53 2HG2 THR 53 36.644 29.568 -24.832 1509 3HG2 THR 53 3HG2 THR 53 35.923 30.535 -26.142 1510 H SER 54 HN SER 54 33.753 27.964 -22.110 1511 HA SER 54 HA SER 54 32.484 26.996 -24.416 1512 1HB SER 54 2HB SER 54 35.222 26.316 -24.237 1513 2HB SER 54 3HB SER 54 34.376 24.883 -23.687 1514 HG SER 54 HG SER 54 33.757 26.285 -26.146 1515 H LEU 55 HN LEU 55 31.434 24.786 -23.931 1516 HA LEU 55 HA LEU 55 30.968 24.623 -21.039 1517 1HB LEU 55 2HB LEU 55 28.822 23.533 -21.723 1518 2HB LEU 55 3HB LEU 55 28.978 25.239 -22.096 1519 HG LEU 55 HG LEU 55 29.879 23.720 -24.362 1520 1HD1 LEU 55 1HD1 LEU 55 28.144 22.141 -23.018 1521 2HD1 LEU 55 2HD1 LEU 55 27.010 23.089 -24.008 1522 3HD1 LEU 55 3HD1 LEU 55 28.312 22.159 -24.790 1523 1HD2 LEU 55 1HD2 LEU 55 27.698 24.897 -25.283 1524 2HD2 LEU 55 2HD2 LEU 55 27.799 25.771 -23.736 1525 3HD2 LEU 55 3HD2 LEU 55 29.162 25.827 -24.880 1526 H LEU 56 HN LEU 56 31.512 22.722 -24.060 1527 HA LEU 56 HA LEU 56 32.913 20.753 -22.511 1528 1HB LEU 56 2HB LEU 56 30.136 20.341 -23.339 1529 2HB LEU 56 3HB LEU 56 31.221 19.091 -23.916 1530 HG LEU 56 HG LEU 56 31.994 19.290 -21.295 1531 1HD1 LEU 56 1HD1 LEU 56 30.321 19.810 -19.854 1532 2HD1 LEU 56 2HD1 LEU 56 29.838 20.868 -21.201 1533 3HD1 LEU 56 3HD1 LEU 56 29.037 19.295 -20.973 1534 1HD2 LEU 56 1HD2 LEU 56 30.820 17.192 -20.960 1535 2HD2 LEU 56 2HD2 LEU 56 29.801 17.504 -22.386 1536 3HD2 LEU 56 3HD2 LEU 56 31.551 17.238 -22.582 Start of MODEL 4 1 1H5* G 276 1H5* G 276 62.124 8.997 -21.333 2 2H5* G 276 2H5* G 276 63.152 7.716 -20.691 3 H4* G 276 H4* G 276 63.832 9.750 -19.678 4 H3* G 276 H3* G 276 62.313 7.927 -17.837 5 H2* G 276 H2* G 276 62.676 9.430 -16.035 6 2HO* G 276 2HO* G 276 64.236 10.879 -17.975 7 H1* G 276 H1* G 276 61.874 11.678 -17.473 8 H8 G 276 H8 G 276 59.646 8.996 -18.629 9 H1 G 276 H1 G 276 58.020 11.183 -12.759 10 1H2 G 276 1H2 G 276 59.540 12.364 -12.018 11 2H2 G 276 2H2 G 276 61.033 12.708 -12.862 12 1H5* G 277 1H5* G 277 65.106 8.828 -15.198 13 2H5* G 277 2H5* G 277 66.013 7.357 -14.848 14 H4* G 277 H4* G 277 65.323 8.137 -12.761 15 H3* G 277 H3* G 277 63.464 5.947 -13.691 16 H2* G 277 H2* G 277 62.434 5.991 -11.562 17 2HO* G 277 2HO* G 277 64.266 6.187 -10.302 18 H1* G 277 H1* G 277 62.457 8.851 -11.493 19 H8 G 277 H8 G 277 61.181 7.587 -14.742 20 H1 G 277 H1 G 277 56.686 7.606 -10.086 21 1H2 G 277 1H2 G 277 57.583 7.959 -8.263 22 2H2 G 277 2H2 G 277 59.299 8.212 -8.031 23 1H5* C 278 1H5* C 278 65.690 4.801 -10.160 24 2H5* C 278 2H5* C 278 65.685 3.089 -9.739 25 H4* C 278 H4* C 278 64.572 4.541 -8.069 26 H3* C 278 H3* C 278 63.008 2.341 -9.409 27 H2* C 278 H2* C 278 61.195 2.776 -7.940 28 2HO* C 278 2HO* C 278 61.709 4.455 -6.239 29 H1* C 278 H1* C 278 61.337 5.561 -8.328 30 1H4 C 278 1H4 C 278 56.773 3.491 -12.307 31 2H4 C 278 2H4 C 278 58.002 3.214 -13.521 32 H5 C 278 H5 C 278 60.319 3.443 -13.123 33 H6 C 278 H6 C 278 62.043 3.999 -11.446 34 1H5* G 279 1H5* G 279 63.301 1.295 -5.084 35 2H5* G 279 2H5* G 279 63.314 -0.459 -4.901 36 H4* G 279 H4* G 279 61.494 0.519 -3.638 37 H3* G 279 H3* G 279 60.711 -1.187 -5.997 38 H2* G 279 H2* G 279 58.443 -1.038 -5.297 39 2HO* G 279 2HO* G 279 59.620 0.341 -3.057 40 H1* G 279 H1* G 279 58.626 1.759 -4.897 41 H8 G 279 H8 G 279 60.353 0.976 -8.054 42 H1 G 279 H1 G 279 53.913 1.004 -8.695 43 1H2 G 279 1H2 G 279 53.036 1.038 -6.829 44 2H2 G 279 2H2 G 279 53.914 1.056 -5.316 45 1H5* G 280 1H5* G 280 58.784 -3.830 -2.368 46 2H5* G 280 2H5* G 280 59.038 -5.337 -3.249 47 H4* G 280 H4* G 280 56.667 -4.817 -2.532 48 H3* G 280 H3* G 280 57.413 -5.558 -5.347 49 H2* G 280 H2* G 280 55.123 -5.531 -5.968 50 2HO* G 280 2HO* G 280 53.579 -5.281 -4.176 51 H1* G 280 H1* G 280 54.609 -3.062 -4.786 52 H8 G 280 H8 G 280 58.012 -2.763 -6.149 53 H1 G 280 H1 G 280 53.473 -2.358 -10.744 54 1H2 G 280 1H2 G 280 51.654 -2.945 -9.970 55 2H2 G 280 2H2 G 280 51.397 -3.469 -8.321 56 1H5* U 281 1H5* U 281 54.349 -7.553 -4.764 57 2H5* U 281 2H5* U 281 54.498 -9.308 -4.665 58 H4* U 281 H4* U 281 52.746 -9.050 -6.135 59 H3* U 281 H3* U 281 55.267 -9.317 -7.771 60 H2* U 281 H2* U 281 53.937 -9.356 -9.730 61 2HO* U 281 2HO* U 281 51.778 -9.443 -7.824 62 H1* U 281 H1* U 281 52.308 -7.210 -8.829 63 H3 U 281 H3 U 281 54.455 -5.658 -12.547 64 H5 U 281 H5 U 281 57.299 -5.388 -9.485 65 H6 U 281 H6 U 281 55.734 -6.624 -8.057 66 2HO* AP7 282 2HO* A 282 51.722 -12.651 -12.740 67 H2* AP7 282 H2* A 282 54.372 -12.061 -13.707 68 H3* AP7 282 H3* A 282 55.036 -12.956 -11.614 69 H4* AP7 282 H4* A 282 52.130 -13.159 -10.835 70 H1* AP7 282 H1* A 282 52.499 -10.299 -12.519 71 H8 AP7 282 H8 A 282 55.797 -10.524 -10.724 72 H2 AP7 282 H2 A 282 53.726 -7.213 -15.832 73 H1 AP7 282 H1 A 282 55.698 -6.163 -15.500 74 1H6 AP7 282 1H6 A 282 57.692 -5.833 -14.378 75 2H6 AP7 282 2H6 A 282 58.122 -6.816 -12.998 76 2H5* AP7 282 2H5* A 282 53.816 -14.179 -9.359 77 1H5* AP7 282 1H5* A 282 52.896 -12.896 -8.575 78 1H5* C 283 1H5* C 283 53.259 -15.422 -15.356 79 2H5* C 283 2H5* C 283 54.815 -16.134 -15.782 80 H4* C 283 H4* C 283 53.682 -14.683 -17.531 81 H3* C 283 H3* C 283 56.544 -14.401 -16.696 82 H2* C 283 H2* C 283 56.870 -12.641 -18.262 83 2HO* C 283 2HO* C 283 55.229 -12.320 -19.831 84 H1* C 283 H1* C 283 54.540 -11.288 -17.431 85 1H4 C 283 1H4 C 283 59.382 -8.458 -14.351 86 2H4 C 283 2H4 C 283 59.213 -9.638 -13.069 87 H5 C 283 H5 C 283 57.754 -11.491 -13.172 88 H6 C 283 H6 C 283 56.080 -12.682 -14.544 89 1H5* U 284 1H5* U 284 56.550 -14.130 -20.394 90 2H5* U 284 2H5* U 284 57.175 -15.419 -21.421 91 H4* U 284 H4* U 284 58.123 -13.587 -22.407 92 H3* U 284 H3* U 284 60.089 -14.611 -20.375 93 H2* U 284 H2* U 284 61.634 -12.930 -21.030 94 2HO* U 284 2HO* U 284 59.939 -11.756 -22.908 95 H1* U 284 H1* U 284 59.746 -10.874 -20.924 96 H3 U 284 H3 U 284 62.328 -10.040 -17.296 97 H5 U 284 H5 U 284 59.995 -13.318 -16.133 98 H6 U 284 H6 U 284 59.170 -13.424 -18.440 99 1H5* A 285 1H5* A 285 62.343 -14.072 -24.037 100 2H5* A 285 2H5* A 285 63.494 -15.403 -24.157 101 H4* A 285 H4* A 285 64.588 -13.211 -24.216 102 H3* A 285 H3* A 285 65.227 -15.050 -21.914 103 H2* A 285 H2* A 285 66.922 -13.539 -21.224 104 2HO* A 285 2HO* A 285 66.357 -11.782 -23.366 105 H1* A 285 H1* A 285 65.250 -11.283 -21.537 106 H8 A 285 H8 A 285 63.324 -14.037 -19.966 107 1H6 A 285 1H6 A 285 65.652 -12.178 -14.482 108 2H6 A 285 2H6 A 285 64.471 -13.223 -15.239 109 H2 A 285 H2 A 285 67.819 -10.030 -17.712 110 1H5* G 286 1H5* G 286 69.138 -13.683 -23.552 111 2H5* G 286 2H5* G 286 70.114 -15.151 -23.494 112 H4* G 286 H4* G 286 71.192 -13.345 -22.286 113 H3* G 286 H3* G 286 70.235 -15.676 -20.628 114 H2* G 286 H2* G 286 71.363 -14.747 -18.755 115 2HO* G 286 2HO* G 286 73.195 -14.033 -19.847 116 H1* G 286 H1* G 286 70.352 -12.148 -19.301 117 H8 G 286 H8 G 286 67.604 -14.583 -19.664 118 H1 G 286 H1 G 286 68.855 -13.145 -13.480 119 1H2 G 286 1H2 G 286 70.636 -12.112 -13.360 120 2H2 G 286 2H2 G 286 71.641 -11.698 -14.730 121 1H5* U 287 1H5* U 287 74.457 -15.506 -20.319 122 2H5* U 287 2H5* U 287 75.254 -17.007 -19.851 123 H4* U 287 H4* U 287 75.461 -15.242 -18.152 124 H3* U 287 H3* U 287 73.986 -17.766 -17.400 125 H2* U 287 H2* U 287 73.954 -17.015 -15.154 126 2HO* U 287 2HO* U 287 75.338 -14.644 -15.696 127 H1* U 287 H1* U 287 73.259 -14.360 -15.936 128 H3 U 287 H3 U 287 69.796 -15.887 -13.369 129 H5 U 287 H5 U 287 69.176 -17.595 -17.142 130 H6 U 287 H6 U 287 71.389 -16.751 -17.779 131 1H5* U 288 1H5* U 288 76.942 -17.465 -14.822 132 2H5* U 288 2H5* U 288 77.862 -18.907 -14.395 133 H4* U 288 H4* U 288 76.927 -18.173 -12.384 134 H3* U 288 H3* U 288 75.277 -20.437 -13.513 135 H2* U 288 H2* U 288 74.038 -20.464 -11.501 136 2HO* U 288 2HO* U 288 75.611 -18.421 -10.354 137 H1* U 288 H1* U 288 73.948 -17.601 -11.400 138 H3 U 288 H3 U 288 69.582 -18.888 -11.601 139 H5 U 288 H5 U 288 71.002 -19.392 -15.508 140 H6 U 288 H6 U 288 73.250 -18.925 -14.645 141 1H5* G 289 1H5* G 289 76.479 -22.781 -9.842 142 2H5* G 289 2H5* G 289 76.137 -24.388 -10.481 143 H4* G 289 H4* G 289 74.615 -23.404 -8.640 144 H3* G 289 H3* G 289 73.623 -24.802 -11.123 145 H2* G 289 H2* G 289 71.428 -24.721 -10.230 146 2HO* G 289 2HO* G 289 71.221 -24.321 -8.003 147 H1* G 289 H1* G 289 71.765 -22.007 -9.408 148 H8 G 289 H8 G 289 72.962 -22.515 -12.886 149 H1 G 289 H1 G 289 66.548 -21.749 -12.495 150 1H2 G 289 1H2 G 289 65.960 -21.853 -10.520 151 2H2 G 289 2H2 G 289 67.045 -22.110 -9.172 152 1H5* A 290 1H5* A 290 72.948 -27.545 -12.472 153 2H5* A 290 2H5* A 290 71.871 -26.425 -11.638 154 H4* A 290 H4* A 290 70.992 -28.599 -12.886 155 H3* A 290 H3* A 290 69.913 -27.286 -10.401 156 H2* A 290 H2* A 290 68.175 -28.890 -10.317 157 2HO* A 290 2HO* A 290 68.646 -30.427 -12.441 158 H1* A 290 H1* A 290 69.973 -31.029 -10.922 159 H8 A 290 H8 A 290 71.740 -29.371 -8.305 160 1H6 A 290 1H6 A 290 67.732 -31.680 -4.116 161 2H6 A 290 2H6 A 290 69.284 -30.897 -4.311 162 H2 A 290 H2 A 290 65.985 -32.232 -8.164 163 1H5* G 291 1H5* G 291 66.142 -28.586 -10.810 164 2H5* G 291 2H5* G 291 65.364 -27.041 -11.154 165 H4* G 291 H4* G 291 64.587 -28.033 -9.052 166 H3* G 291 H3* G 291 65.984 -25.378 -8.984 167 H2* G 291 H2* G 291 65.579 -25.211 -6.644 168 2HO* G 291 2HO* G 291 64.380 -27.756 -6.536 169 H1* G 291 H1* G 291 66.575 -27.746 -6.093 170 H8 G 291 H8 G 291 68.334 -25.898 -8.895 171 H1 G 291 H1 G 291 70.816 -24.864 -3.009 172 1H2 G 291 1H2 G 291 69.601 -25.731 -1.587 173 2H2 G 291 2H2 G 291 68.128 -26.608 -1.938 174 1H5* A 292 1H5* A 292 61.225 -24.752 -9.394 175 2H5* A 292 2H5* A 292 60.913 -23.018 -9.475 176 H4* A 292 H4* A 292 60.842 -24.040 -7.180 177 H3* A 292 H3* A 292 62.628 -21.693 -7.802 178 H2* A 292 H2* A 292 63.153 -21.525 -5.494 179 2HO* A 292 2HO* A 292 61.320 -23.693 -5.079 180 H1* A 292 H1* A 292 63.577 -24.304 -5.231 181 H8 A 292 H8 A 292 64.860 -22.344 -8.249 182 1H6 A 292 1H6 A 292 70.349 -22.286 -5.280 183 2H6 A 292 2H6 A 292 69.537 -21.844 -6.764 184 H2 A 292 H2 A 292 67.343 -24.170 -2.605 185 1H5* A 293 1H5* A 293 61.843 -19.884 -4.087 186 2H5* A 293 2H5* A 293 61.769 -18.239 -4.718 187 H4* A 293 H4* A 293 63.833 -18.954 -3.364 188 H3* A 293 H3* A 293 63.894 -17.438 -5.956 189 H2* A 293 H2* A 293 66.259 -17.285 -5.830 190 2HO* A 293 2HO* A 293 66.178 -18.715 -3.364 191 H1* A 293 H1* A 293 66.631 -19.982 -5.277 192 H8 A 293 H8 A 293 63.785 -19.926 -7.597 193 1H6 A 293 1H6 A 293 67.862 -19.298 -12.279 194 2H6 A 293 2H6 A 293 66.188 -19.627 -11.892 195 H2 A 293 H2 A 293 70.031 -18.668 -8.453 196 1H5* A 294 1H5* A 294 66.510 -15.728 -3.355 197 2H5* A 294 2H5* A 294 66.213 -14.009 -3.098 198 H4* A 294 H4* A 294 68.507 -14.178 -3.529 199 H3* A 294 H3* A 294 66.996 -13.221 -5.945 200 H2* A 294 H2* A 294 69.041 -12.951 -7.122 201 2HO* A 294 2HO* A 294 70.152 -13.642 -4.554 202 H1* A 294 H1* A 294 70.013 -15.470 -6.428 203 H8 A 294 H8 A 294 66.327 -15.657 -6.988 204 1H6 A 294 1H6 A 294 67.600 -16.468 -13.043 205 2H6 A 294 2H6 A 294 66.326 -16.509 -11.845 206 H2 A 294 H2 A 294 71.369 -15.361 -10.967 207 1H5* C 295 1H5* C 295 69.947 -10.853 -5.092 208 2H5* C 295 2H5* C 295 69.918 -9.092 -5.181 209 H4* C 295 H4* C 295 71.567 -9.687 -6.698 210 H3* C 295 H3* C 295 68.984 -9.212 -8.172 211 H2* C 295 H2* C 295 70.130 -9.511 -10.226 212 2HO* C 295 2HO* C 295 72.473 -9.714 -8.564 213 H1* C 295 H1* C 295 71.481 -11.819 -9.308 214 1H4 C 295 1H4 C 295 66.576 -14.123 -12.675 215 2H4 C 295 2H4 C 295 65.500 -13.781 -11.338 216 H5 C 295 H5 C 295 66.166 -12.661 -9.368 217 H6 C 295 H6 C 295 68.046 -11.583 -8.184 218 1H5* U 296 1H5* U 296 71.754 -5.823 -9.749 219 2H5* U 296 2H5* U 296 70.601 -4.535 -10.095 220 H4* U 296 H4* U 296 71.965 -5.161 -12.047 221 H3* U 296 H3* U 296 68.977 -5.498 -12.184 222 H2* U 296 H2* U 296 69.165 -6.076 -14.480 223 2HO* U 296 2HO* U 296 71.848 -5.991 -14.807 224 H1* U 296 H1* U 296 71.256 -7.890 -14.038 225 H3 U 296 H3 U 296 67.551 -10.335 -15.172 226 H5 U 296 H5 U 296 67.173 -9.622 -11.063 227 H6 U 296 H6 U 296 69.076 -8.087 -11.255 228 1H5* A 297 1H5* A 297 70.280 -3.285 -15.174 229 2H5* A 297 2H5* A 297 69.410 -1.875 -15.777 230 H4* A 297 H4* A 297 69.586 -3.355 -17.596 231 H3* A 297 H3* A 297 66.837 -3.373 -16.376 232 H2* A 297 H2* A 297 66.093 -4.835 -18.100 233 2HO* A 297 2HO* A 297 68.763 -4.387 -19.087 234 H1* A 297 H1* A 297 68.314 -6.547 -17.788 235 H8 A 297 H8 A 297 67.226 -5.607 -14.403 236 1H6 A 297 1H6 A 297 62.815 -10.004 -14.820 237 2H6 A 297 2H6 A 297 63.626 -8.909 -13.723 238 H2 A 297 H2 A 297 64.585 -9.423 -18.854 239 1H5* G 298 1H5* G 298 66.438 -3.429 -20.580 240 2H5* G 298 2H5* G 298 65.518 -1.985 -21.004 241 H4* G 298 H4* G 298 64.548 -3.784 -22.190 242 H3* G 298 H3* G 298 62.909 -2.840 -19.866 243 H2* G 298 H2* G 298 61.206 -4.422 -20.377 244 2HO* G 298 2HO* G 298 61.678 -4.077 -22.683 245 H1* G 298 H1* G 298 63.056 -6.537 -20.600 246 H8 G 298 H8 G 298 64.129 -4.575 -17.694 247 H1 G 298 H1 G 298 58.961 -8.244 -16.389 248 1H2 G 298 1H2 G 298 58.170 -8.972 -18.150 249 2H2 G 298 2H2 G 298 58.813 -8.638 -19.742 250 1H5* C 299 1H5* C 299 59.794 -3.481 -22.579 251 2H5* C 299 2H5* C 299 58.769 -2.056 -22.421 252 H4* C 299 H4* C 299 57.665 -4.207 -21.821 253 H3* C 299 H3* C 299 57.801 -1.925 -19.874 254 H2* C 299 H2* C 299 56.556 -3.151 -18.294 255 2HO* C 299 2HO* C 299 56.225 -4.947 -20.521 256 H1* C 299 H1* C 299 57.998 -5.574 -18.930 257 1H4 C 299 1H4 C 299 59.939 -3.834 -13.084 258 2H4 C 299 2H4 C 299 61.109 -2.768 -13.829 259 H5 C 299 H5 C 299 61.224 -2.359 -16.152 260 H6 C 299 H6 C 299 60.236 -2.877 -18.355 261 1H5* U 300 1H5* U 300 54.074 -3.784 -20.740 262 2H5* U 300 2H5* U 300 52.701 -2.702 -20.965 263 H4* U 300 H4* U 300 51.888 -4.439 -19.631 264 H3* U 300 H3* U 300 52.511 -2.004 -17.984 265 H2* U 300 H2* U 300 51.676 -3.088 -16.051 266 2HO* U 300 2HO* U 300 50.971 -5.185 -17.897 267 H1* U 300 H1* U 300 53.066 -5.457 -16.490 268 H3 U 300 H3 U 300 55.488 -3.726 -13.106 269 H5 U 300 H5 U 300 56.435 -1.237 -16.338 270 H6 U 300 H6 U 300 54.740 -2.444 -17.636 271 1H5* C 301 1H5* C 301 48.149 -2.438 -17.777 272 2H5* C 301 2H5* C 301 47.359 -1.012 -17.107 273 H4* C 301 H4* C 301 47.414 -2.934 -15.556 274 H3* C 301 H3* C 301 48.693 -0.330 -14.789 275 H2* C 301 H2* C 301 49.272 -1.192 -12.668 276 2HO* C 301 2HO* C 301 48.013 -2.837 -11.896 277 H1* C 301 H1* C 301 50.105 -3.695 -13.801 278 1H4 C 301 1H4 C 301 55.486 -0.612 -12.234 279 2H4 C 301 2H4 C 301 55.408 0.240 -13.761 280 H5 C 301 H5 C 301 53.595 0.077 -15.266 281 H6 C 301 H6 C 301 51.390 -0.954 -15.682 282 1H5* U 302 1H5* U 302 46.717 -1.275 -11.839 283 2H5* U 302 2H5* U 302 45.411 -0.296 -11.171 284 H4* U 302 H4* U 302 46.673 -0.372 -9.312 285 H3* U 302 H3* U 302 47.904 1.871 -10.892 286 H2* U 302 H2* U 302 49.493 2.210 -9.151 287 2HO* U 302 2HO* U 302 48.311 1.816 -7.335 288 H1* U 302 H1* U 302 50.141 -0.517 -9.002 289 H3 U 302 H3 U 302 53.936 0.804 -10.984 290 H5 U 302 H5 U 302 51.026 1.805 -13.825 291 H6 U 302 H6 U 302 49.336 1.076 -12.206 292 1H5* G 303 1H5* G 303 47.012 3.272 -7.235 293 2H5* G 303 2H5* G 303 46.543 4.951 -6.966 294 H4* G 303 H4* G 303 48.625 4.719 -5.924 295 H3* G 303 H3* G 303 48.966 6.030 -8.625 296 H2* G 303 H2* G 303 51.225 6.435 -8.077 297 2HO* G 303 2HO* G 303 50.545 7.058 -5.910 298 H1* G 303 H1* G 303 51.471 3.844 -6.837 299 H8 G 303 H8 G 303 50.037 3.741 -10.277 300 H1 G 303 H1 G 303 56.507 3.875 -10.192 301 1H2 G 303 1H2 G 303 57.163 4.287 -8.280 302 2H2 G 303 2H2 G 303 56.115 4.555 -6.905 303 1H5* U 304 1H5* U 304 49.404 8.977 -5.364 304 2H5* U 304 2H5* U 304 49.734 10.648 -5.820 305 H4* U 304 H4* U 304 51.682 9.370 -4.887 306 H3* U 304 H3* U 304 51.828 10.731 -7.569 307 H2* U 304 H2* U 304 54.134 10.188 -7.700 308 2HO* U 304 2HO* U 304 54.536 8.821 -5.434 309 H1* U 304 H1* U 304 53.706 7.518 -6.890 310 H3 U 304 H3 U 304 55.109 7.397 -11.248 311 H5 U 304 H5 U 304 51.001 8.191 -11.447 312 H6 U 304 H6 U 304 51.043 8.491 -9.013 313 1H5* A 305 1H5* A 305 52.679 13.661 -3.703 314 2H5* A 305 2H5* A 305 53.040 15.303 -4.235 315 H4* A 305 H4* A 305 55.050 13.956 -3.708 316 H3* A 305 H3* A 305 54.686 15.117 -6.456 317 H2* A 305 H2* A 305 56.836 14.331 -7.080 318 2HO* A 305 2HO* A 305 57.509 14.876 -4.825 319 H1* A 305 H1* A 305 56.382 11.771 -5.967 320 H8 A 305 H8 A 305 53.312 12.775 -7.744 321 1H6 A 305 1H6 A 305 55.997 10.825 -13.030 322 2H6 A 305 2H6 A 305 54.488 11.348 -12.315 323 H2 A 305 H2 A 305 59.099 10.926 -9.850 324 1H5* U 306 1H5* U 306 53.833 17.237 -4.302 325 2H5* U 306 2H5* U 306 53.435 18.720 -5.168 326 H4* U 306 H4* U 306 53.081 18.541 -2.584 327 H3* U 306 H3* U 306 54.196 20.940 -4.047 328 H2* U 306 H2* U 306 54.232 22.110 -2.032 329 2HO* U 306 2HO* U 306 52.893 20.656 -0.304 330 H1* U 306 H1* U 306 54.739 19.613 -0.557 331 H3 U 306 H3 U 306 58.615 21.046 1.130 332 H5 U 306 H5 U 306 58.346 23.223 -2.438 333 H6 U 306 H6 U 306 56.262 22.016 -2.901 334 1H5* C 307 1H5* C 307 50.512 21.077 -1.170 335 2H5* C 307 2H5* C 307 49.448 21.327 -2.553 336 H4* C 307 H4* C 307 49.076 22.305 -0.002 337 H3* C 307 H3* C 307 47.836 22.948 -2.657 338 H2* C 307 H2* C 307 46.622 24.740 -1.691 339 2HO* C 307 2HO* C 307 47.778 24.112 0.839 340 H1* C 307 H1* C 307 48.805 25.835 -0.377 341 1H4 C 307 1H4 C 307 48.559 28.652 -6.136 342 2H4 C 307 2H4 C 307 49.771 27.513 -6.678 343 H5 C 307 H5 C 307 50.536 25.690 -5.387 344 H6 C 307 H6 C 307 50.325 24.500 -3.234 345 1H5* U 308 1H5* U 308 43.521 20.221 -1.475 346 2H5* U 308 2H5* U 308 42.739 20.704 0.030 347 H4* U 308 H4* U 308 43.362 18.240 -0.276 348 H3* U 308 H3* U 308 43.990 19.846 2.194 349 H2* U 308 H2* U 308 45.057 18.038 3.136 350 2HO* U 308 2HO* U 308 43.434 16.507 1.312 351 H1* U 308 H1* U 308 45.461 16.891 0.395 352 H3 U 308 H3 U 308 49.778 15.943 1.015 353 H5 U 308 H5 U 308 49.151 19.035 3.768 354 H6 U 308 H6 U 308 46.846 19.170 2.942 355 1H5* G 309 1H5* G 309 41.210 18.197 6.152 356 2H5* G 309 2H5* G 309 40.070 19.114 5.169 357 H4* G 309 H4* G 309 41.039 20.151 7.344 358 H3* G 309 H3* G 309 40.643 21.554 4.717 359 H2* G 309 H2* G 309 41.600 23.494 5.537 360 2HO* G 309 2HO* G 309 41.141 22.357 8.142 361 H1* G 309 H1* G 309 43.206 21.895 7.462 362 H8 G 309 H8 G 309 43.363 22.601 3.686 363 H1 G 309 H1 G 309 48.348 24.820 7.166 364 1H2 G 309 1H2 G 309 48.046 24.382 9.159 365 2H2 G 309 2H2 G 309 46.650 23.540 9.792 366 1H5* G 310 1H5* G 310 39.413 22.104 2.974 367 2H5* G 310 2H5* G 310 37.835 22.420 3.694 368 H4* G 310 H4* G 310 38.371 21.418 1.144 369 H3* G 310 H3* G 310 35.829 21.658 2.761 370 H2* G 310 H2* G 310 34.664 20.667 0.972 371 2HO* G 310 2HO* G 310 35.846 22.006 -0.536 372 H1* G 310 H1* G 310 36.891 18.865 0.475 373 H8 G 310 H8 G 310 35.529 18.808 3.949 374 H1 G 310 H1 G 310 32.350 14.918 -0.130 375 1H2 G 310 1H2 G 310 32.961 15.298 -2.063 376 2H2 G 310 2H2 G 310 34.156 16.494 -2.511 377 1H5* C 311 1H5* C 311 36.008 24.040 -0.885 378 2H5* C 311 2H5* C 311 34.861 25.348 -1.173 379 H4* C 311 H4* C 311 34.704 23.703 -2.930 380 H3* C 311 H3* C 311 32.330 23.947 -1.103 381 H2* C 311 H2* C 311 31.138 22.385 -2.440 382 2HO* C 311 2HO* C 311 32.326 21.689 -4.437 383 H1* C 311 H1* C 311 33.353 20.609 -2.524 384 1H4 C 311 1H4 C 311 29.334 18.277 1.885 385 2H4 C 311 2H4 C 311 30.159 19.244 3.087 386 H5 C 311 H5 C 311 31.837 20.826 2.578 387 H6 C 311 H6 C 311 33.150 21.880 0.771 388 1H5* G 312 1H5* G 312 30.412 24.843 -5.619 389 2H5* G 312 2H5* G 312 28.852 25.310 -4.944 390 H4* G 312 H4* G 312 29.245 23.135 -6.485 391 H3* G 312 H3* G 312 27.167 23.757 -4.421 392 H2* G 312 H2* G 312 26.229 21.580 -4.640 393 2HO* G 312 2HO* G 312 28.216 21.385 -6.716 394 H1* G 312 H1* G 312 28.624 20.259 -4.303 395 H8 G 312 H8 G 312 29.312 23.010 -2.105 396 H1 G 312 H1 G 312 24.645 19.255 0.342 397 1H2 G 312 1H2 G 312 23.929 17.999 -1.129 398 2H2 G 312 2H2 G 312 24.508 17.967 -2.781 399 1H5* G 313 1H5* G 313 25.267 20.807 -6.716 400 2H5* G 313 2H5* G 313 24.159 21.808 -7.655 401 H4* G 313 H4* G 313 22.818 20.081 -6.879 402 H3* G 313 H3* G 313 22.490 22.517 -5.158 403 H2* G 313 H2* G 313 20.874 21.399 -3.832 404 2HO* G 313 2HO* G 313 21.219 19.344 -5.823 405 H1* G 313 H1* G 313 22.392 19.114 -3.462 406 H8 G 313 H8 G 313 24.588 22.156 -3.660 407 H1 G 313 H1 G 313 22.191 21.025 2.243 408 1H2 G 313 1H2 G 313 20.773 19.532 2.137 409 2H2 G 313 2H2 G 313 20.302 18.709 0.667 410 1H5* A 314 1H5* A 314 18.823 20.471 -6.243 411 2H5* A 314 2H5* A 314 17.466 21.589 -6.383 412 H4* A 314 H4* A 314 16.987 19.778 -4.821 413 H3* A 314 H3* A 314 17.097 22.583 -3.753 414 H2* A 314 H2* A 314 16.402 21.797 -1.614 415 2HO* A 314 2HO* A 314 15.068 20.181 -2.823 416 H1* A 314 H1* A 314 18.325 19.800 -1.505 417 H8 A 314 H8 A 314 19.633 22.830 -3.294 418 1H6 A 314 1H6 A 314 21.374 24.957 2.309 419 2H6 A 314 2H6 A 314 21.485 25.243 0.587 420 H2 A 314 H2 A 314 18.902 21.314 2.912 421 1H5* C 315 1H5* C 315 14.605 20.985 -1.096 422 2H5* C 315 2H5* C 315 13.044 21.713 -1.473 423 H4* C 315 H4* C 315 13.756 21.911 0.913 424 H3* C 315 H3* C 315 12.388 23.798 -0.552 425 H2* C 315 H2* C 315 14.185 25.273 -0.905 426 2HO* C 315 2HO* C 315 13.935 26.484 1.429 427 H1* C 315 H1* C 315 15.298 24.810 1.868 428 1H4 C 315 1H4 C 315 20.746 26.628 -0.848 429 2H4 C 315 2H4 C 315 20.168 26.144 -2.427 430 H5 C 315 H5 C 315 18.054 25.167 -2.811 431 H6 C 315 H6 C 315 15.950 24.406 -1.765 432 1H5* C 316 1H5* C 316 10.648 22.453 4.443 433 2H5* C 316 2H5* C 316 12.336 22.955 4.380 434 H4* C 316 H4* C 316 11.165 20.306 5.145 435 H3* C 316 H3* C 316 12.944 22.329 6.430 436 H2* C 316 H2* C 316 14.216 20.669 7.529 437 2HO* C 316 2HO* C 316 12.237 18.891 6.422 438 H1* C 316 H1* C 316 14.652 19.092 5.335 439 1H4 C 316 1H4 C 316 19.333 23.444 5.105 440 2H4 C 316 2H4 C 316 18.303 24.457 4.119 441 H5 C 316 H5 C 316 16.044 23.966 3.640 442 H6 C 316 H6 C 316 14.198 22.364 3.992 443 1H5* C 317 1H5* C 317 11.442 20.220 9.705 444 2H5* C 317 2H5* C 317 10.693 21.245 10.929 445 H4* C 317 H4* C 317 12.340 20.084 12.091 446 H3* C 317 H3* C 317 13.235 22.857 11.409 447 H2* C 317 H2* C 317 15.334 22.499 12.457 448 2HO* C 317 2HO* C 317 13.980 20.086 13.236 449 H1* C 317 H1* C 317 15.734 20.020 11.185 450 1H4 C 317 1H4 C 317 18.953 24.206 7.596 451 2H4 C 317 2H4 C 317 17.462 24.647 6.793 452 H5 C 317 H5 C 317 15.338 23.829 7.423 453 H6 C 317 H6 C 317 14.110 22.371 8.993 454 1H5* G 318 1H5* G 318 14.112 22.405 15.263 455 2H5* G 318 2H5* G 318 13.311 23.493 16.394 456 H4* G 318 H4* G 318 15.525 23.683 17.006 457 H3* G 318 H3* G 318 14.883 25.920 15.093 458 H2* G 318 H2* G 318 17.060 26.802 15.436 459 2HO* G 318 2HO* G 318 17.207 24.693 17.394 460 H1* G 318 H1* G 318 18.304 24.298 15.130 461 H8 G 318 H8 G 318 15.459 24.934 12.741 462 H1 G 318 H1 G 318 21.197 27.097 10.671 463 1H2 G 318 1H2 G 318 22.581 26.941 12.192 464 2H2 G 318 2H2 G 318 22.237 26.318 13.790 465 1H5* U 319 1H5* U 319 15.849 27.833 17.666 466 2H5* U 319 2H5* U 319 15.317 29.370 18.348 467 H4* U 319 H4* U 319 16.442 28.766 15.724 468 H3* U 319 H3* U 319 16.216 31.176 17.508 469 H2* U 319 H2* U 319 16.812 32.572 15.661 470 2HO* U 319 2HO* U 319 17.003 30.050 14.280 471 H1* U 319 H1* U 319 14.880 31.399 13.998 472 H3 U 319 H3 U 319 12.625 35.214 14.594 473 H5 U 319 H5 U 319 13.054 33.804 18.514 474 H6 U 319 H6 U 319 14.377 31.954 17.598 475 1H5* G 320 1H5* G 320 19.102 28.597 16.173 476 2H5* G 320 2H5* G 320 19.277 26.971 16.833 477 H4* G 320 H4* G 320 21.396 27.866 17.986 478 H3* G 320 H3* G 320 20.699 30.232 16.356 479 H2* G 320 H2* G 320 22.851 30.455 15.402 480 2HO* G 320 2HO* G 320 23.432 28.344 17.272 481 H1* G 320 H1* G 320 23.100 27.885 14.545 482 H8 G 320 H8 G 320 19.485 28.136 14.365 483 H1 G 320 H1 G 320 22.332 31.657 9.741 484 1H2 G 320 1H2 G 320 24.340 31.855 10.164 485 2H2 G 320 2H2 G 320 25.135 31.170 11.564 486 1H5* G 321 1H5* G 321 24.869 30.948 17.672 487 2H5* G 321 2H5* G 321 24.730 32.521 18.457 488 H4* G 321 H4* G 321 26.503 32.549 16.813 489 H3* G 321 H3* G 321 24.108 34.273 16.298 490 H2* G 321 H2* G 321 25.081 35.109 14.302 491 2HO* G 321 2HO* G 321 27.363 33.468 14.833 492 H1* G 321 H1* G 321 25.848 32.504 13.452 493 H8 G 321 H8 G 321 22.404 32.204 14.633 494 H1 G 321 H1 G 321 22.729 35.068 8.839 495 1H2 G 321 1H2 G 321 24.681 35.598 8.441 496 2H2 G 321 2H2 G 321 26.030 35.311 9.517 497 1H5* U 322 1H5* U 322 27.194 37.316 16.805 498 2H5* U 322 2H5* U 322 26.449 38.844 17.272 499 H4* U 322 H4* U 322 27.309 38.769 14.933 500 H3* U 322 H3* U 322 24.434 39.427 15.512 501 H2* U 322 H2* U 322 24.021 39.775 13.225 502 2HO* U 322 2HO* U 322 25.708 40.704 12.224 503 H1* U 322 H1* U 322 25.727 37.540 12.509 504 H3 U 322 H3 U 322 21.822 36.507 10.437 505 H5 U 322 H5 U 322 20.989 35.970 14.506 506 H6 U 322 H6 U 322 23.191 36.939 14.983 507 1H5* G 323 1H5* G 323 25.665 43.429 14.004 508 2H5* G 323 2H5* G 323 24.989 44.573 15.161 509 H4* G 323 H4* G 323 24.010 45.122 13.106 510 H3* G 323 H3* G 323 22.130 43.558 14.854 511 H2* G 323 H2* G 323 20.413 43.793 13.229 512 2HO* G 323 2HO* G 323 21.190 45.982 12.787 513 H1* G 323 H1* G 323 22.181 43.082 11.114 514 H8 G 323 H8 G 323 22.570 40.819 14.046 515 H1 G 323 H1 G 323 17.624 39.199 10.199 516 1H2 G 323 1H2 G 323 17.287 40.710 8.838 517 2H2 G 323 2H2 G 323 18.207 42.194 8.749 518 1H5* G 324 1H5* G 324 17.904 46.059 15.319 519 2H5* G 324 2H5* G 324 18.319 44.356 15.506 520 H4* G 324 H4* G 324 18.037 44.515 12.803 521 H3* G 324 H3* G 324 16.538 46.813 13.873 522 H2* G 324 H2* G 324 14.456 46.197 12.972 523 2HO* G 324 2HO* G 324 15.617 45.529 11.009 524 H1* G 324 H1* G 324 14.391 43.634 13.806 525 H8 G 324 H8 G 324 16.522 44.694 16.479 526 H1 G 324 H1 G 324 10.662 47.381 17.058 527 1H2 G 324 1H2 G 324 9.632 47.174 15.284 528 2H2 G 324 2H2 G 324 10.261 46.389 13.853 529 1H5* A 325 1H5* A 325 15.358 47.205 9.990 530 2H5* A 325 2H5* A 325 15.764 48.796 9.348 531 H4* A 325 H4* A 325 13.425 48.567 9.149 532 H3* A 325 H3* A 325 14.266 50.399 11.368 533 H2* A 325 H2* A 325 12.012 50.844 11.927 534 2HO* A 325 2HO* A 325 10.396 50.151 10.387 535 H1* A 325 H1* A 325 11.195 48.203 11.928 536 H8 A 325 H8 A 325 14.669 48.088 13.151 537 1H6 A 325 1H6 A 325 12.509 49.697 18.781 538 2H6 A 325 2H6 A 325 13.914 49.117 17.915 539 H2 A 325 H2 A 325 9.230 50.226 15.830 540 1H5* A 326 1H5* A 326 13.174 54.160 8.772 541 2H5* A 326 2H5* A 326 13.839 55.276 9.965 542 H4* A 326 H4* A 326 11.249 54.844 9.769 543 H3* A 326 H3* A 326 12.905 55.422 12.183 544 H2* A 326 H2* A 326 11.035 55.143 13.634 545 2HO* A 326 2HO* A 326 9.081 54.357 12.053 546 H1* A 326 H1* A 326 10.355 52.661 12.600 547 H8 A 326 H8 A 326 13.891 52.266 12.364 548 1H6 A 326 1H6 A 326 14.256 51.709 18.569 549 2H6 A 326 2H6 A 326 15.128 51.475 17.071 550 H2 A 326 H2 A 326 10.242 53.319 17.551 551 1H5* C 327 1H5* C 327 9.431 57.944 12.888 552 2H5* C 327 2H5* C 327 10.069 59.472 13.497 553 H4* C 327 H4* C 327 8.495 58.345 15.045 554 H3* C 327 H3* C 327 11.297 58.990 15.906 555 H2* C 327 H2* C 327 10.817 58.202 18.102 556 2HO* C 327 2HO* C 327 8.639 59.065 17.938 557 H1* C 327 H1* C 327 9.754 55.793 17.215 558 1H4 C 327 1H4 C 327 16.024 54.828 18.216 559 2H4 C 327 2H4 C 327 16.249 54.972 16.487 560 H5 C 327 H5 C 327 14.541 55.616 14.987 561 H6 C 327 H6 C 327 12.174 56.288 14.777 562 1H5* U 328 1H5* U 328 8.811 60.780 18.918 563 2H5* U 328 2H5* U 328 9.413 62.398 19.274 564 H4* U 328 H4* U 328 9.250 60.987 21.277 565 H3* U 328 H3* U 328 11.965 61.993 20.448 566 H2* U 328 H2* U 328 12.877 61.113 22.454 567 2HO* U 328 2HO* U 328 11.162 60.153 23.937 568 H1* U 328 H1* U 328 11.586 58.637 22.167 569 H3 U 328 H3 U 328 16.226 58.488 21.555 570 H5 U 328 H5 U 328 14.452 58.660 17.766 571 H6 U 328 H6 U 328 12.338 59.188 18.890 572 1H5* G 329 1H5* G 329 12.827 64.944 24.215 573 2H5* G 329 2H5* G 329 13.679 65.782 22.919 574 H4* G 329 H4* G 329 14.916 64.536 24.943 575 H3* G 329 H3* G 329 15.825 65.030 22.123 576 H2* G 329 H2* G 329 17.866 63.905 22.570 577 2HO* G 329 2HO* G 329 18.498 63.839 24.680 578 H1* G 329 H1* G 329 16.509 61.767 23.884 579 H8 G 329 H8 G 329 14.659 62.342 20.803 580 H1 G 329 H1 G 329 20.277 59.330 19.687 581 1H2 G 329 1H2 G 329 21.463 59.440 21.370 582 2H2 G 329 2H2 G 329 21.004 60.230 22.861 583 1H5* U 330 1H5* U 330 17.680 66.694 20.333 584 2H5* U 330 2H5* U 330 18.346 65.125 20.787 585 H4* U 330 H4* U 330 19.674 66.879 19.290 586 H3* U 330 H3* U 330 20.751 64.897 21.284 587 H2* U 330 H2* U 330 22.943 65.605 20.813 588 2HO* U 330 2HO* U 330 21.521 66.691 18.588 589 H1* U 330 H1* U 330 22.084 68.367 20.620 590 H3 U 330 H3 U 330 24.763 69.326 24.052 591 H5 U 330 H5 U 330 22.845 65.850 25.385 592 H6 U 330 H6 U 330 21.668 65.793 23.235 593 1H5* G 331 1H5* G 331 24.716 62.925 19.142 594 2H5* G 331 2H5* G 331 23.543 61.628 19.363 595 H4* G 331 H4* G 331 25.563 62.112 21.059 596 H3* G 331 H3* G 331 22.846 60.925 21.592 597 H2* G 331 H2* G 331 23.461 60.611 23.866 598 2HO* G 331 2HO* G 331 26.007 61.760 23.321 599 H1* G 331 H1* G 331 24.492 63.231 24.088 600 H8 G 331 H8 G 331 21.284 63.087 22.154 601 H1 G 331 H1 G 331 20.457 63.414 28.564 602 1H2 G 331 1H2 G 331 22.274 63.159 29.506 603 2H2 G 331 2H2 G 331 23.794 62.896 28.683 604 1H5* A 332 1H5* A 332 25.554 56.912 21.037 605 2H5* A 332 2H5* A 332 24.433 55.644 21.532 606 H4* A 332 H4* A 332 26.225 56.436 23.198 607 H3* A 332 H3* A 332 23.323 55.996 23.848 608 H2* A 332 H2* A 332 23.770 56.474 26.138 609 2HO* A 332 2HO* A 332 25.875 56.284 26.804 610 H1* A 332 H1* A 332 25.153 58.830 25.553 611 H8 A 332 H8 A 332 22.241 58.301 23.242 612 1H6 A 332 1H6 A 332 18.785 61.316 27.474 613 2H6 A 332 2H6 A 332 18.782 60.649 25.857 614 H2 A 332 H2 A 332 22.798 60.573 29.230 615 1H5* A 333 1H5* A 333 23.534 53.823 28.047 616 2H5* A 333 2H5* A 333 23.007 52.458 27.062 617 H4* A 333 H4* A 333 21.328 53.482 28.693 618 H3* A 333 H3* A 333 20.739 52.862 25.812 619 H2* A 333 H2* A 333 18.484 53.531 26.121 620 2HO* A 333 2HO* A 333 18.604 54.307 28.734 621 H1* A 333 H1* A 333 19.130 55.917 27.393 622 H8 A 333 H8 A 333 21.684 55.206 24.767 623 1H6 A 333 1H6 A 333 17.839 57.977 20.707 624 2H6 A 333 2H6 A 333 19.449 57.327 20.917 625 H2 A 333 H2 A 333 15.661 57.444 24.544 626 1H5* G 334 1H5* G 334 17.410 51.676 28.762 627 2H5* G 334 2H5* G 334 16.365 50.602 27.832 628 H4* G 334 H4* G 334 15.540 52.966 28.643 629 H3* G 334 H3* G 334 14.910 51.564 26.061 630 H2* G 334 H2* G 334 13.498 53.371 25.422 631 2HO* G 334 2HO* G 334 12.884 54.832 27.037 632 H1* G 334 H1* G 334 15.410 55.314 25.977 633 H8 G 334 H8 G 334 17.562 52.751 24.656 634 H1 G 334 H1 G 334 13.834 55.249 19.993 635 1H2 G 334 1H2 G 334 12.303 56.336 20.844 636 2H2 G 334 2H2 G 334 12.063 56.540 22.565 637 1H5* U 335 1H5* U 335 11.146 53.297 27.599 638 2H5* U 335 2H5* U 335 9.908 52.098 27.225 639 H4* U 335 H4* U 335 9.530 54.408 26.298 640 H3* U 335 H3* U 335 9.436 51.926 24.629 641 H2* U 335 H2* U 335 8.929 53.184 22.683 642 2HO* U 335 2HO* U 335 8.012 55.163 23.007 643 H1* U 335 H1* U 335 10.969 55.067 23.171 644 H3 U 335 H3 U 335 11.733 52.372 19.428 645 H5 U 335 H5 U 335 13.808 50.671 22.644 646 H6 U 335 H6 U 335 12.590 52.210 24.115 647 1H5* U 336 1H5* U 336 5.199 53.391 24.175 648 2H5* U 336 2H5* U 336 4.242 51.965 23.775 649 H4* U 336 H4* U 336 4.361 53.611 21.941 650 H3* U 336 H3* U 336 5.340 50.810 21.544 651 H2* U 336 H2* U 336 5.902 51.264 19.287 652 2HO* U 336 2HO* U 336 4.229 52.573 18.675 653 H1* U 336 H1* U 336 7.197 53.690 19.931 654 H3 U 336 H3 U 336 10.405 50.790 18.411 655 H5 U 336 H5 U 336 9.878 49.823 22.452 656 H6 U 336 H6 U 336 7.944 51.329 22.458 657 1H5* C 337 1H5* C 337 2.976 51.270 17.869 658 2H5* C 337 2H5* C 337 1.720 50.065 18.154 659 H4* C 337 H4* C 337 2.489 49.566 16.022 660 H3* C 337 H3* C 337 3.778 47.748 18.038 661 H2* C 337 H2* C 337 4.895 46.591 16.294 662 2HO* C 337 2HO* C 337 2.906 46.895 14.988 663 H1* C 337 H1* C 337 5.802 48.909 15.042 664 1H4 C 337 1H4 C 337 10.633 47.461 18.933 665 2H4 C 337 2H4 C 337 9.694 47.978 20.315 666 H5 C 337 H5 C 337 7.445 48.686 20.186 667 H6 C 337 H6 C 337 5.524 49.076 18.686 668 1H5* G 338 1H5* G 338 2.845 44.925 14.800 669 2H5* G 338 2H5* G 338 2.313 43.518 15.719 670 H4* G 338 H4* G 338 4.298 43.080 14.323 671 H3* G 338 H3* G 338 4.464 42.732 17.302 672 H2* G 338 H2* G 338 6.688 41.984 17.127 673 2HO* G 338 2HO* G 338 6.135 42.001 14.299 674 H1* G 338 H1* G 338 7.227 43.959 15.061 675 H8 G 338 H8 G 338 5.921 45.488 18.161 676 H1 G 338 H1 G 338 12.268 44.263 18.458 677 1H2 G 338 1H2 G 338 12.814 43.068 16.868 678 2H2 G 338 2H2 G 338 11.715 42.484 15.638 679 1H5* G 339 1H5* G 339 6.765 40.051 16.644 680 2H5* G 339 2H5* G 339 6.315 38.571 17.490 681 H4* G 339 H4* G 339 8.469 39.659 18.215 682 H3* G 339 H3* G 339 6.287 38.879 20.109 683 H2* G 339 H2* G 339 7.142 40.232 21.723 684 2HO* G 339 2HO* G 339 9.170 39.489 22.405 685 H1* G 339 H1* G 339 9.354 41.006 19.764 686 H8 G 339 H8 G 339 10.301 43.235 20.432 687 H1 G 339 H1 G 339 5.163 44.694 24.087 688 1H2 G 339 1H2 G 339 3.746 43.205 23.909 689 2H2 G 339 2H2 G 339 3.924 41.776 22.917 690 1H5* A 340 1H5* A 340 8.536 35.902 17.697 691 2H5* A 340 2H5* A 340 9.927 36.122 16.635 692 H4* A 340 H4* A 340 7.367 36.030 15.790 693 H3* A 340 H3* A 340 9.800 37.315 14.593 694 H2* A 340 H2* A 340 8.484 38.150 12.786 695 2HO* A 340 2HO* A 340 6.367 36.736 14.137 696 H1* A 340 H1* A 340 6.548 39.213 14.534 697 H8 A 340 H8 A 340 9.563 40.103 16.274 698 1H6 A 340 1H6 A 340 10.598 44.616 12.088 699 2H6 A 340 2H6 A 340 11.073 43.999 13.655 700 H2 A 340 H2 A 340 7.442 41.930 10.486 701 1H5* A 341 1H5* A 341 7.455 36.184 11.396 702 2H5* A 341 2H5* A 341 8.435 35.149 10.359 703 H4* A 341 H4* A 341 7.483 36.903 9.034 704 H3* A 341 H3* A 341 10.452 37.117 9.473 705 H2* A 341 H2* A 341 10.527 38.961 7.987 706 2HO* A 341 2HO* A 341 7.787 38.183 7.569 707 H1* A 341 H1* A 341 8.333 40.251 9.143 708 H8 A 341 H8 A 341 10.585 38.501 11.617 709 1H6 A 341 1H6 A 341 13.687 43.903 12.021 710 2H6 A 341 2H6 A 341 13.540 42.298 12.702 711 H2 A 341 H2 A 341 10.702 44.255 8.748 712 1H5* C 342 1H5* C 342 10.097 37.502 5.984 713 2H5* C 342 2H5* C 342 10.833 36.543 4.700 714 H4* C 342 H4* C 342 11.500 38.769 4.323 715 H3* C 342 H3* C 342 13.668 37.042 5.450 716 H2* C 342 H2* C 342 15.206 38.859 5.414 717 2HO* C 342 2HO* C 342 14.744 40.201 3.775 718 H1* C 342 H1* C 342 13.491 40.595 6.743 719 1H4 C 342 1H4 C 342 16.996 37.721 11.277 720 2H4 C 342 2H4 C 342 15.687 36.579 11.489 721 H5 C 342 H5 C 342 13.780 36.491 10.099 722 H6 C 342 H6 C 342 12.648 37.487 8.144 723 1H5* A 343 1H5* A 343 15.376 39.017 2.295 724 2H5* A 343 2H5* A 343 16.347 38.001 1.228 725 H4* A 343 H4* A 343 17.688 39.814 2.077 726 H3* A 343 H3* A 343 18.404 37.058 3.037 727 H2* A 343 H2* A 343 20.268 37.937 4.216 728 2HO* A 343 2HO* A 343 20.101 40.554 3.774 729 H1* A 343 H1* A 343 18.822 39.978 5.428 730 H8 A 343 H8 A 343 16.644 36.966 5.142 731 1H6 A 343 1H6 A 343 19.156 35.012 10.510 732 2H6 A 343 2H6 A 343 17.889 34.704 9.343 733 H2 A 343 H2 A 343 21.460 38.539 9.100 734 1H5* C 344 1H5* C 344 22.145 38.038 0.653 735 2H5* C 344 2H5* C 344 22.723 36.461 0.115 736 H4* C 344 H4* C 344 24.314 37.584 1.603 737 H3* C 344 H3* C 344 23.130 34.958 2.426 738 H2* C 344 H2* C 344 24.452 34.944 4.405 739 2HO* C 344 2HO* C 344 25.702 37.296 4.300 740 H1* C 344 H1* C 344 23.734 37.586 5.066 741 1H4 C 344 1H4 C 344 19.755 33.958 8.494 742 2H4 C 344 2H4 C 344 18.747 33.742 7.080 743 H5 C 344 H5 C 344 19.309 34.542 4.931 744 H6 C 344 H6 C 344 20.992 35.759 3.595 745 1H5* C 345 1H5* C 345 27.548 33.137 2.144 746 2H5* C 345 2H5* C 345 27.017 31.556 2.719 747 H4* C 345 H4* C 345 28.336 33.384 4.223 748 H3* C 345 H3* C 345 26.543 31.099 4.967 749 H2* C 345 H2* C 345 26.708 31.684 7.270 750 2HO* C 345 2HO* C 345 28.397 33.014 7.862 751 H1* C 345 H1* C 345 26.096 34.375 6.795 752 1H4 C 345 1H4 C 345 20.637 31.307 8.285 753 2H4 C 345 2H4 C 345 20.235 31.389 6.584 754 H5 C 345 H5 C 345 21.728 32.138 4.915 755 H6 C 345 H6 C 345 23.997 33.000 4.462 756 1H5* C 346 1H5* C 346 28.528 31.020 7.771 757 2H5* C 346 2H5* C 346 29.884 29.894 7.809 758 H4* C 346 H4* C 346 29.103 29.514 9.892 759 H3* C 346 H3* C 346 27.427 27.699 8.163 760 H2* C 346 H2* C 346 26.380 26.865 10.128 761 2HO* C 346 2HO* C 346 27.864 28.584 11.797 762 H1* C 346 H1* C 346 25.988 29.470 11.167 763 1H4 C 346 1H4 C 346 20.412 27.712 8.549 764 2H4 C 346 2H4 C 346 20.945 28.421 7.042 765 H5 C 346 H5 C 346 23.121 29.270 6.683 766 H6 C 346 H6 C 346 25.340 29.651 7.696 767 1H5* G 347 1H5* G 347 29.360 25.387 11.065 768 2H5* G 347 2H5* G 347 29.753 23.722 10.641 769 H4* G 347 H4* G 347 28.224 23.789 12.517 770 H3* G 347 H3* G 347 27.131 22.651 9.949 771 H2* G 347 H2* G 347 25.176 21.983 11.128 772 2HO* G 347 2HO* G 347 25.286 21.947 13.389 773 H1* G 347 H1* G 347 24.922 24.509 12.373 774 H8 G 347 H8 G 347 25.728 25.393 8.964 775 H1 G 347 H1 G 347 19.712 23.051 9.407 776 1H2 G 347 1H2 G 347 19.463 22.131 11.236 777 2H2 G 347 2H2 G 347 20.702 22.011 12.466 778 1H5* G 348 1H5* G 348 27.388 18.613 11.964 779 2H5* G 348 2H5* G 348 27.163 17.559 10.568 780 H4* G 348 H4* G 348 25.218 18.019 12.284 781 H3* G 348 H3* G 348 24.963 17.735 9.289 782 H2* G 348 H2* G 348 22.604 17.797 9.546 783 2HO* G 348 2HO* G 348 22.626 18.115 12.305 784 H1* G 348 H1* G 348 22.778 19.983 11.375 785 H8 G 348 H8 G 348 24.917 21.032 8.680 786 H1 G 348 H1 G 348 18.704 21.177 6.872 787 1H2 G 348 1H2 G 348 17.566 20.126 8.232 788 2H2 G 348 2H2 G 348 18.201 19.324 9.652 789 1H5* C 349 1H5* C 349 21.464 16.020 9.799 790 2H5* C 349 2H5* C 349 21.738 14.391 9.183 791 H4* C 349 H4* C 349 20.009 15.296 7.872 792 H3* C 349 H3* C 349 22.646 15.277 6.433 793 H2* C 349 H2* C 349 21.638 16.171 4.504 794 2HO* C 349 2HO* C 349 19.150 16.286 4.734 795 H1* C 349 H1* C 349 19.989 17.938 6.100 796 1H4 C 349 1H4 C 349 24.189 21.724 3.112 797 2H4 C 349 2H4 C 349 25.372 21.336 4.341 798 H5 C 349 H5 C 349 25.025 19.735 6.042 799 H6 C 349 H6 C 349 23.442 18.095 6.992 800 1H5* C 350 1H5* C 350 20.495 11.969 4.195 801 2H5* C 350 2H5* C 350 21.743 11.052 3.353 802 H4* C 350 H4* C 350 20.239 12.534 1.943 803 H3* C 350 H3* C 350 23.242 12.583 1.777 804 H2* C 350 H2* C 350 23.120 14.131 -0.013 805 2HO* C 350 2HO* C 350 20.274 14.018 0.127 806 H1* C 350 H1* C 350 21.098 15.649 1.345 807 1H4 C 350 1H4 C 350 26.467 19.088 1.841 808 2H4 C 350 2H4 C 350 26.931 18.115 3.220 809 H5 C 350 H5 C 350 25.731 16.218 3.955 810 H6 C 350 H6 C 350 23.772 14.773 3.544 811 1H5* G 351 1H5* G 351 22.428 11.576 -2.230 812 2H5* G 351 2H5* G 351 23.190 10.024 -2.577 813 H4* G 351 H4* G 351 24.012 11.440 -4.228 814 H3* G 351 H3* G 351 26.018 11.139 -2.010 815 H2* G 351 H2* G 351 27.563 12.474 -3.219 816 2HO* G 351 2HO* G 351 25.593 12.626 -5.296 817 H1* G 351 H1* G 351 25.711 14.478 -3.790 818 H8 G 351 H8 G 351 25.457 12.788 -0.393 819 H1 G 351 H1 G 351 29.114 18.126 -0.510 820 1H2 G 351 1H2 G 351 29.321 18.777 -2.457 821 2H2 G 351 2H2 G 351 28.609 17.993 -3.849 822 1H5* C 352 1H5* C 352 27.788 9.641 -5.607 823 2H5* C 352 2H5* C 352 29.107 8.489 -5.401 824 H4* C 352 H4* C 352 29.875 10.581 -6.395 825 H3* C 352 H3* C 352 30.950 9.765 -3.721 826 H2* C 352 H2* C 352 32.359 11.678 -3.654 827 2HO* C 352 2HO* C 352 32.576 11.381 -6.050 828 H1* C 352 H1* C 352 30.243 13.403 -4.428 829 1H4 C 352 1H4 C 352 30.611 14.160 1.893 830 2H4 C 352 2H4 C 352 29.822 12.614 2.125 831 H5 C 352 H5 C 352 29.266 11.145 0.362 832 H6 C 352 H6 C 352 29.328 10.790 -2.081 833 1H5* A 353 1H5* A 353 34.778 8.228 -5.755 834 2H5* A 353 2H5* A 353 35.040 6.848 -4.688 835 H4* A 353 H4* A 353 36.551 8.946 -4.481 836 H3* A 353 H3* A 353 35.362 7.401 -2.184 837 H2* A 353 H2* A 353 36.550 8.773 -0.668 838 2HO* A 353 2HO* A 353 37.775 9.677 -3.111 839 H1* A 353 H1* A 353 35.921 11.140 -2.149 840 H8 A 353 H8 A 353 33.420 8.441 -1.082 841 1H6 A 353 1H6 A 353 31.752 12.453 3.399 842 2H6 A 353 2H6 A 353 31.394 10.897 2.684 843 H2 A 353 H2 A 353 35.159 14.213 1.154 844 1H5* A 354 1H5* A 354 39.738 7.644 -1.639 845 2H5* A 354 2H5* A 354 40.258 6.319 -0.598 846 H4* A 354 H4* A 354 40.762 8.495 0.383 847 H3* A 354 H3* A 354 38.844 6.683 1.809 848 H2* A 354 H2* A 354 38.645 8.237 3.589 849 2HO* A 354 2HO* A 354 40.962 8.706 3.336 850 H1* A 354 H1* A 354 38.369 10.422 1.768 851 H8 A 354 H8 A 354 36.215 7.523 0.850 852 1H6 A 354 1H6 A 354 31.903 9.892 4.690 853 2H6 A 354 2H6 A 354 32.197 8.678 3.465 854 H2 A 354 H2 A 354 35.684 12.150 5.283 855 1H5* C 355 1H5* C 355 41.681 7.569 4.894 856 2H5* C 355 2H5* C 355 42.131 6.046 5.662 857 H4* C 355 H4* C 355 41.326 7.460 7.374 858 H3* C 355 H3* C 355 39.303 5.358 6.602 859 H2* C 355 H2* C 355 37.963 6.043 8.432 860 2HO* C 355 2HO* C 355 40.092 7.853 9.090 861 H1* C 355 H1* C 355 38.367 8.800 7.853 862 1H4 C 355 1H4 C 355 32.544 7.533 5.568 863 2H4 C 355 2H4 C 355 33.266 6.763 4.172 864 H5 C 355 H5 C 355 35.588 6.420 3.912 865 H6 C 355 H6 C 355 37.813 6.733 4.938 866 1H5* C 356 1H5* C 356 41.123 4.622 10.499 867 2H5* C 356 2H5* C 356 40.768 3.129 11.367 868 H4* C 356 H4* C 356 39.754 5.102 12.419 869 H3* C 356 H3* C 356 37.947 2.928 11.384 870 H2* C 356 H2* C 356 36.083 4.043 12.343 871 2HO* C 356 2HO* C 356 36.524 5.359 14.045 872 H1* C 356 H1* C 356 36.820 6.541 11.302 873 1H4 C 356 1H4 C 356 32.662 4.233 7.044 874 2H4 C 356 2H4 C 356 33.937 3.265 6.336 875 H5 C 356 H5 C 356 36.120 3.113 7.224 876 H6 C 356 H6 C 356 37.633 3.859 9.026 877 1H5* C 357 1H5* C 357 37.375 3.670 15.045 878 2H5* C 357 2H5* C 357 37.912 2.725 16.433 879 H4* C 357 H4* C 357 35.882 3.294 17.228 880 H3* C 357 H3* C 357 35.431 0.813 15.625 881 H2* C 357 H2* C 357 33.085 0.950 15.911 882 2HO* C 357 2HO* C 357 33.239 3.326 17.406 883 H1* C 357 H1* C 357 32.851 3.582 15.167 884 1H4 C 357 1H4 C 357 32.512 0.331 9.669 885 2H4 C 357 2H4 C 357 34.249 0.475 9.511 886 H5 C 357 H5 C 357 35.651 1.391 11.176 887 H6 C 357 H6 C 357 35.731 2.403 13.427 888 1H5* U 358 1H5* U 358 32.289 0.478 18.071 889 2H5* U 358 2H5* U 358 32.629 -0.930 19.078 890 H4* U 358 H4* U 358 30.530 -1.380 18.201 891 H3* U 358 H3* U 358 32.616 -2.793 16.547 892 H2* U 358 H2* U 358 30.876 -3.856 15.330 893 2HO* U 358 2HO* U 358 29.645 -4.052 17.336 894 H1* U 358 H1* U 358 29.441 -1.432 15.025 895 H3 U 358 H3 U 358 30.620 -2.184 10.742 896 H5 U 358 H5 U 358 34.274 -1.355 12.612 897 H6 U 358 H6 U 358 33.062 -1.319 14.744 898 1H5* G 359 1H5* G 359 29.970 -5.492 18.684 899 2H5* G 359 2H5* G 359 30.514 -7.145 18.968 900 H4* G 359 H4* G 359 28.451 -7.097 17.679 901 H3* G 359 H3* G 359 30.909 -8.181 16.329 902 H2* G 359 H2* G 359 29.596 -8.797 14.448 903 2HO* G 359 2HO* G 359 27.846 -9.400 15.916 904 H1* G 359 H1* G 359 28.317 -6.312 14.294 905 H8 G 359 H8 G 359 31.857 -5.721 15.227 906 H1 G 359 H1 G 359 31.060 -6.812 8.899 907 1H2 G 359 1H2 G 359 29.146 -7.498 8.553 908 2H2 G 359 2H2 G 359 27.937 -7.741 9.794 909 1H5* G 360 1H5* G 360 28.056 -11.090 16.965 910 2H5* G 360 2H5* G 360 28.385 -12.734 17.506 911 H4* G 360 H4* G 360 27.321 -13.032 15.467 912 H3* G 360 H3* G 360 30.300 -13.229 15.102 913 H2* G 360 H2* G 360 29.975 -13.782 12.814 914 2HO* G 360 2HO* G 360 27.159 -13.570 13.203 915 H1* G 360 H1* G 360 28.181 -11.681 12.371 916 H8 G 360 H8 G 360 30.897 -10.587 14.689 917 H1 G 360 H1 G 360 32.559 -10.293 8.441 918 1H2 G 360 1H2 G 360 31.124 -11.239 7.300 919 2H2 G 360 2H2 G 360 29.685 -11.999 7.943 920 1H5* G 361 1H5* G 361 28.540 -17.274 15.057 921 2H5* G 361 2H5* G 361 29.535 -18.640 15.562 922 H4* G 361 H4* G 361 29.285 -18.826 13.227 923 H3* G 361 H3* G 361 31.998 -17.837 14.043 924 H2* G 361 H2* G 361 32.700 -17.832 11.772 925 2HO* G 361 2HO* G 361 30.149 -18.668 10.890 926 H1* G 361 H1* G 361 30.405 -16.468 10.899 927 H8 G 361 H8 G 361 31.584 -15.110 14.171 928 H1 G 361 H1 G 361 34.745 -12.673 9.078 929 1H2 G 361 1H2 G 361 34.253 -13.744 7.385 930 2H2 G 361 2H2 G 361 33.148 -15.099 7.351 931 1H5* A 362 1H5* A 362 32.029 -21.681 12.123 932 2H5* A 362 2H5* A 362 33.147 -22.929 12.672 933 H4* A 362 H4* A 362 33.466 -22.726 10.345 934 H3* A 362 H3* A 362 35.662 -21.508 11.973 935 H2* A 362 H2* A 362 36.833 -20.855 10.014 936 2HO* A 362 2HO* A 362 36.133 -21.762 8.023 937 H1* A 362 H1* A 362 34.617 -19.678 8.816 938 H8 A 362 H8 A 362 34.240 -18.967 12.408 939 1H6 A 362 1H6 A 362 38.268 -14.256 11.684 940 2H6 A 362 2H6 A 362 37.119 -14.982 12.787 941 H2 A 362 H2 A 362 38.336 -16.723 7.989 942 1H5* G 363 1H5* G 363 37.562 -23.069 8.529 943 2H5* G 363 2H5* G 363 39.110 -23.716 9.072 944 H4* G 363 H4* G 363 39.022 -21.677 7.447 945 H3* G 363 H3* G 363 40.894 -22.075 9.761 946 H2* G 363 H2* G 363 41.975 -20.025 9.262 947 2HO* G 363 2HO* G 363 41.636 -19.143 7.206 948 H1* G 363 H1* G 363 39.618 -18.569 9.036 949 H8 G 363 H8 G 363 38.925 -20.973 11.724 950 H1 G 363 H1 G 363 42.749 -16.133 13.687 951 1H2 G 363 1H2 G 363 43.427 -15.082 12.047 952 2H2 G 363 2H2 G 363 43.020 -15.457 10.388 953 1H5* A 364 1H5* A 364 44.009 -22.209 8.954 954 2H5* A 364 2H5* A 364 44.036 -21.764 7.247 955 H4* A 364 H4* A 364 46.007 -23.357 8.837 956 H3* A 364 H3* A 364 46.150 -21.022 6.932 957 H2* A 364 H2* A 364 48.426 -21.545 6.526 958 2HO* A 364 2HO* A 364 49.455 -22.522 8.185 959 H1* A 364 H1* A 364 47.883 -24.317 6.264 960 H8 A 364 H8 A 364 49.032 -24.020 3.992 961 1H6 A 364 1H6 A 364 45.653 -20.556 0.051 962 2H6 A 364 2H6 A 364 47.061 -21.586 0.183 963 H2 A 364 H2 A 364 43.772 -20.323 4.070 964 1H5* G 365 1H5* G 365 46.305 -16.835 9.964 965 2H5* G 365 2H5* G 365 48.034 -17.159 9.827 966 H4* G 365 H4* G 365 46.289 -17.104 12.255 967 H3* G 365 H3* G 365 48.126 -15.303 11.368 968 H2* G 365 H2* G 365 50.040 -16.669 11.540 969 2HO* G 365 2HO* G 365 50.261 -16.081 14.184 970 H1* G 365 H1* G 365 48.793 -17.789 14.109 971 H8 G 365 H8 G 365 49.470 -20.425 11.807 972 H1 G 365 H1 G 365 54.797 -19.008 15.197 973 1H2 G 365 1H2 G 365 54.555 -17.185 16.130 974 2H2 G 365 2H2 G 365 53.122 -16.190 16.013 975 1H5* G 366 1H5* G 366 45.899 -11.560 12.519 976 2H5* G 366 2H5* G 366 45.432 -12.450 11.071 977 H4* G 366 H4* G 366 47.057 -10.198 11.208 978 H3* G 366 H3* G 366 45.860 -11.744 9.167 979 H2* G 366 H2* G 366 47.796 -12.852 8.509 980 2HO* G 366 2HO* G 366 48.883 -11.133 7.059 981 H1* G 366 H1* G 366 49.334 -10.421 9.580 982 H8 G 366 H8 G 366 50.469 -13.293 11.288 983 H1 G 366 H1 G 366 53.473 -12.861 5.572 984 1H2 G 366 1H2 G 366 52.460 -11.536 4.361 985 2H2 G 366 2H2 G 366 51.013 -10.669 4.824 986 1H5* U 367 1H5* U 367 45.865 -10.674 6.908 987 2H5* U 367 2H5* U 367 44.920 -9.436 6.080 988 H4* U 367 H4* U 367 44.552 -11.664 5.138 989 H3* U 367 H3* U 367 42.217 -10.258 6.417 990 H2* U 367 H2* U 367 40.784 -12.000 5.675 991 2HO* U 367 2HO* U 367 41.789 -13.590 4.209 992 H1* U 367 H1* U 367 42.498 -14.033 6.570 993 H3 U 367 H3 U 367 39.163 -14.434 9.574 994 H5 U 367 H5 U 367 40.933 -10.777 10.589 995 H6 U 367 H6 U 367 42.344 -11.020 8.598 996 1H5* C 368 1H5* C 368 41.204 -11.281 3.028 997 2H5* C 368 2H5* C 368 40.432 -10.313 1.772 998 H4* C 368 H4* C 368 38.955 -12.083 2.200 999 H3* C 368 H3* C 368 38.027 -9.560 3.573 1000 H2* C 368 H2* C 368 36.042 -10.670 4.193 1001 2HO* C 368 2HO* C 368 37.048 -12.703 2.417 1002 H1* C 368 H1* C 368 37.484 -13.094 4.791 1003 1H4 C 368 1H4 C 368 35.762 -10.753 10.478 1004 2H4 C 368 2H4 C 368 37.070 -9.595 10.383 1005 H5 C 368 H5 C 368 38.454 -9.326 8.487 1006 H6 C 368 H6 C 368 38.927 -10.109 6.194 1007 1H5* C 369 1H5* C 369 35.726 -10.685 0.462 1008 2H5* C 369 2H5* C 369 34.857 -9.728 -0.738 1009 H4* C 369 H4* C 369 33.094 -10.626 0.381 1010 H3* C 369 H3* C 369 33.750 -8.085 1.871 1011 H2* C 369 H2* C 369 31.863 -8.460 3.252 1012 2HO* C 369 2HO* C 369 31.301 -10.768 1.651 1013 H1* C 369 H1* C 369 32.481 -11.219 3.562 1014 1H4 C 369 1H4 C 369 34.715 -8.822 9.009 1015 2H4 C 369 2H4 C 369 35.790 -7.752 8.137 1016 H5 C 369 H5 C 369 35.875 -7.606 5.781 1017 H6 C 369 H6 C 369 34.941 -8.459 3.661 1018 1H5* C 370 1H5* C 370 30.133 -8.224 0.146 1019 2H5* C 370 2H5* C 370 29.071 -6.930 -0.407 1020 H4* C 370 H4* C 370 27.961 -7.854 1.423 1021 H3* C 370 H3* C 370 29.429 -5.357 2.275 1022 H2* C 370 H2* C 370 28.377 -5.523 4.393 1023 2HO* C 370 2HO* C 370 26.822 -7.582 4.333 1024 H1* C 370 H1* C 370 28.866 -8.328 4.533 1025 1H4 C 370 1H4 C 370 33.360 -5.884 8.327 1026 2H4 C 370 2H4 C 370 34.182 -5.205 6.940 1027 H5 C 370 H5 C 370 33.352 -5.320 4.732 1028 H6 C 370 H6 C 370 31.510 -6.125 3.297 1029 1H5* A 371 1H5* A 371 24.933 -4.355 1.890 1030 2H5* A 371 2H5* A 371 24.687 -2.610 1.847 1031 H4* A 371 H4* A 371 23.543 -3.682 3.737 1032 H3* A 371 H3* A 371 25.665 -1.627 4.274 1033 H2* A 371 H2* A 371 25.218 -1.760 6.609 1034 2HO* A 371 2HO* A 371 22.925 -2.055 6.114 1035 H1* A 371 H1* A 371 25.376 -4.535 6.680 1036 H8 A 371 H8 A 371 27.901 -3.484 4.208 1037 1H6 A 371 1H6 A 371 31.744 -2.279 8.976 1038 2H6 A 371 2H6 A 371 31.652 -2.446 7.237 1039 H2 A 371 H2 A 371 27.675 -2.987 10.615 1040 1H5* G 372 1H5* G 372 21.988 -0.212 6.579 1041 2H5* G 372 2H5* G 372 21.988 1.516 6.223 1042 H4* G 372 H4* G 372 21.870 1.111 8.616 1043 H3* G 372 H3* G 372 24.324 2.475 7.548 1044 H2* G 372 H2* G 372 25.133 2.775 9.765 1045 2HO* G 372 2HO* G 372 22.914 3.157 10.482 1046 H1* G 372 H1* G 372 24.642 0.099 10.471 1047 H8 G 372 H8 G 372 25.956 0.046 7.032 1048 H1 G 372 H1 G 372 30.602 0.969 11.441 1049 1H2 G 372 1H2 G 372 29.745 1.394 13.267 1050 2H2 G 372 2H2 G 372 28.023 1.486 13.560 1051 1H5* G 373 1H5* G 373 22.404 5.038 10.038 1052 2H5* G 373 2H5* G 373 22.198 6.759 9.712 1053 H4* G 373 H4* G 373 23.510 6.501 11.695 1054 H3* G 373 H3* G 373 25.020 7.514 9.297 1055 H2* G 373 H2* G 373 26.947 7.822 10.650 1056 2HO* G 373 2HO* G 373 25.562 6.840 12.924 1057 H1* G 373 H1* G 373 26.768 5.285 11.817 1058 H8 G 373 H8 G 373 25.806 4.792 8.307 1059 H1 G 373 H1 G 373 32.197 5.523 9.020 1060 1H2 G 373 1H2 G 373 32.604 6.208 10.922 1061 2H2 G 373 2H2 G 373 31.394 6.535 12.142 1062 1H5* G 374 1H5* G 374 24.712 10.107 12.438 1063 2H5* G 374 2H5* G 374 24.786 11.868 12.424 1064 H4* G 374 H4* G 374 26.683 11.090 13.613 1065 H3* G 374 H3* G 374 27.343 12.116 10.861 1066 H2* G 374 H2* G 374 29.654 11.845 11.334 1067 2HO* G 374 2HO* G 374 30.216 11.893 13.460 1068 H1* G 374 H1* G 374 29.316 9.258 12.375 1069 H8 G 374 H8 G 374 27.082 9.487 9.460 1070 H1 G 374 H1 G 374 33.275 8.680 7.766 1071 1H2 G 374 1H2 G 374 34.484 8.978 9.410 1072 2H2 G 374 2H2 G 374 33.905 9.385 11.010 1073 1H5* U 375 1H5* U 375 30.158 13.882 13.262 1074 2H5* U 375 2H5* U 375 30.122 15.628 13.013 1075 H4* U 375 H4* U 375 32.363 14.927 12.710 1076 H3* U 375 H3* U 375 30.981 15.568 10.111 1077 H2* U 375 H2* U 375 33.037 15.274 8.973 1078 2HO* U 375 2HO* U 375 34.044 15.058 11.664 1079 H1* U 375 H1* U 375 33.640 12.894 10.399 1080 H3 U 375 H3 U 375 33.126 11.263 6.222 1081 H5 U 375 H5 U 375 29.246 12.412 7.301 1082 H6 U 375 H6 U 375 30.205 13.378 9.341 1083 1H5* U 376 1H5* U 376 34.468 18.223 10.526 1084 2H5* U 376 2H5* U 376 34.362 19.576 9.399 1085 H4* U 376 H4* U 376 36.246 17.995 8.973 1086 H3* U 376 H3* U 376 34.204 18.564 6.832 1087 H2* U 376 H2* U 376 35.530 17.329 5.290 1088 2HO* U 376 2HO* U 376 37.469 18.199 6.332 1089 H1* U 376 H1* U 376 35.854 15.180 7.089 1090 H3 U 376 H3 U 376 33.272 13.552 3.700 1091 H5 U 376 H5 U 376 30.618 15.733 6.097 1092 H6 U 376 H6 U 376 32.567 16.540 7.347 1093 2H ALA 1 HN ALA 1 35.611 19.007 -20.163 1094 HA ALA 1 HA ALA 1 35.090 21.569 -20.080 1095 1HB ALA 1 1HB ALA 1 35.410 20.920 -17.142 1096 2HB ALA 1 2HB ALA 1 34.824 22.419 -17.903 1097 3HB ALA 1 3HB ALA 1 33.798 20.964 -17.897 1098 H THR 2 HN THR 2 37.041 21.677 -21.173 1099 HA THR 2 HA THR 2 39.411 20.524 -20.038 1100 HB THR 2 HB THR 2 38.729 22.207 -22.492 1101 HG1 THR 2 HG1 THR 2 38.296 19.776 -22.070 1102 1HG2 THR 2 1HG2 THR 2 41.318 20.834 -22.550 1103 2HG2 THR 2 2HG2 THR 2 40.944 22.525 -22.961 1104 3HG2 THR 2 3HG2 THR 2 41.295 22.076 -21.275 1105 H VAL 3 HN VAL 3 40.400 21.352 -18.309 1106 HA VAL 3 HA VAL 3 40.190 24.215 -17.857 1107 HB VAL 3 HB VAL 3 41.238 21.904 -16.215 1108 1HG1 VAL 3 1HG1 VAL 3 41.392 23.557 -14.349 1109 2HG1 VAL 3 2HG1 VAL 3 42.566 23.844 -15.656 1110 3HG1 VAL 3 3HG1 VAL 3 41.110 24.859 -15.529 1111 1HG2 VAL 3 1HG2 VAL 3 39.176 23.201 -14.854 1112 2HG2 VAL 3 2HG2 VAL 3 38.629 23.163 -16.548 1113 3HG2 VAL 3 3HG2 VAL 3 39.071 21.650 -15.720 1114 H VAL 4 HN VAL 4 42.753 21.650 -18.112 1115 HA VAL 4 HA VAL 4 44.393 23.351 -19.670 1116 HB VAL 4 HB VAL 4 44.877 24.514 -17.682 1117 1HG1 VAL 4 1HG1 VAL 4 45.887 22.393 -15.966 1118 2HG1 VAL 4 2HG1 VAL 4 44.695 23.669 -15.621 1119 3HG1 VAL 4 3HG1 VAL 4 44.172 22.142 -16.372 1120 1HG2 VAL 4 1HG2 VAL 4 46.902 22.710 -18.799 1121 2HG2 VAL 4 2HG2 VAL 4 46.986 24.452 -18.446 1122 3HG2 VAL 4 3HG2 VAL 4 47.287 23.266 -17.153 1123 H SER 5 HN SER 5 44.112 20.534 -17.439 1124 HA SER 5 HA SER 5 45.704 19.067 -19.396 1125 1HB SER 5 2HB SER 5 45.605 18.796 -16.365 1126 2HB SER 5 3HB SER 5 46.275 17.544 -17.392 1127 HG SER 5 HG SER 5 47.584 19.617 -16.448 1128 H GLY 6 HN GLY 6 45.118 16.694 -19.550 1129 1HA GLY 6 1HA GLY 6 42.210 16.386 -19.248 1130 2HA GLY 6 2HA GLY 6 43.257 15.497 -20.337 1131 H GLN 7 HN GLN 7 41.297 14.724 -18.043 1132 HA GLN 7 HA GLN 7 42.907 12.586 -17.123 1133 1HB GLN 7 2HB GLN 7 42.746 13.032 -14.717 1134 2HB GLN 7 3HB GLN 7 43.594 14.346 -15.509 1135 1HG GLN 7 2HG GLN 7 41.994 15.868 -14.942 1136 2HG GLN 7 3HG GLN 7 40.690 14.817 -15.459 1137 1HE2 GLN 7 1HE2 GLN 7 41.541 16.505 -12.972 1138 2HE2 GLN 7 2HE2 GLN 7 41.109 15.505 -11.625 1139 H LYS 8 HN LYS 8 41.588 10.933 -15.974 1140 HA LYS 8 HA LYS 8 38.789 11.400 -15.683 1141 1HB LYS 8 2HB LYS 8 39.035 11.149 -18.170 1142 2HB LYS 8 3HB LYS 8 39.640 9.526 -17.908 1143 1HG LYS 8 2HG LYS 8 37.158 9.994 -16.403 1144 2HG LYS 8 3HG LYS 8 36.932 10.303 -18.114 1145 1HD LYS 8 2HD LYS 8 37.912 8.059 -18.645 1146 2HD LYS 8 3HD LYS 8 38.127 7.750 -16.932 1147 1HE LYS 8 2HE LYS 8 35.902 7.285 -16.601 1148 2HE LYS 8 3HE LYS 8 35.368 8.590 -17.641 1149 1HZ LYS 8 1HZ LYS 8 35.339 7.246 -19.410 1150 2HZ LYS 8 2HZ LYS 8 36.663 6.396 -18.974 1151 3HZ LYS 8 3HZ LYS 8 35.214 6.049 -18.305 1152 H GLN 9 HN GLN 9 38.176 10.211 -13.956 1153 HA GLN 9 HA GLN 9 38.047 8.571 -12.527 1154 1HB GLN 9 2HB GLN 9 38.799 7.194 -14.852 1155 2HB GLN 9 3HB GLN 9 39.959 6.638 -13.661 1156 1HG GLN 9 2HG GLN 9 37.118 6.779 -12.728 1157 2HG GLN 9 3HG GLN 9 37.451 5.574 -13.955 1158 1HE2 GLN 9 1HE2 GLN 9 37.356 3.757 -12.803 1159 2HE2 GLN 9 2HE2 GLN 9 38.383 3.344 -11.471 1160 H ASP 10 HN ASP 10 39.049 9.631 -10.805 1161 HA ASP 10 HA ASP 10 41.443 8.575 -9.913 1162 1HB ASP 10 2HB ASP 10 42.511 9.987 -11.617 1163 2HB ASP 10 3HB ASP 10 41.593 11.384 -11.093 1164 H ARG 11 HN ARG 11 41.565 9.039 -7.656 1165 HA ARG 11 HA ARG 11 40.471 11.419 -6.628 1166 1HB ARG 11 2HB ARG 11 38.908 8.825 -6.376 1167 2HB ARG 11 3HB ARG 11 38.812 10.023 -5.102 1168 1HG ARG 11 2HG ARG 11 38.375 11.682 -7.179 1169 2HG ARG 11 3HG ARG 11 37.851 10.201 -7.956 1170 1HD ARG 11 2HD ARG 11 36.057 9.881 -6.457 1171 2HD ARG 11 3HD ARG 11 36.817 10.806 -5.178 1172 HE ARG 11 HE ARG 11 36.127 12.354 -7.597 1173 1HH1 ARG 11 2HH2 ARG 11 35.137 11.324 -4.381 1174 2HH1 ARG 11 1HH2 ARG 11 33.985 12.604 -4.187 1175 1HH2 ARG 11 2HH1 ARG 11 34.609 14.042 -7.341 1176 2HH2 ARG 11 1HH1 ARG 11 33.683 14.160 -5.883 1177 H GLN 12 HN GLN 12 40.722 11.477 -4.170 1178 HA GLN 12 HA GLN 12 42.049 9.314 -2.938 1179 1HB GLN 12 2HB GLN 12 44.219 10.420 -2.525 1180 2HB GLN 12 3HB GLN 12 43.958 10.176 -4.241 1181 1HG GLN 12 2HG GLN 12 43.143 12.550 -4.436 1182 2HG GLN 12 3HG GLN 12 43.462 12.785 -2.728 1183 1HE2 GLN 12 1HE2 GLN 12 45.187 13.969 -2.469 1184 2HE2 GLN 12 2HE2 GLN 12 46.698 13.825 -3.305 1185 H GLY 13 HN GLY 13 42.058 9.551 -0.648 1186 1HA GLY 13 1HA GLY 13 40.633 11.956 0.296 1187 2HA GLY 13 2HA GLY 13 40.587 10.370 1.037 1188 H GLY 14 HN GLY 14 41.197 11.517 3.064 1189 1HA GLY 14 1HA GLY 14 43.767 12.781 3.236 1190 2HA GLY 14 2HA GLY 14 42.670 12.394 4.546 1191 H GLU 15 HN GLU 15 45.640 11.615 3.085 1192 HA GLU 15 HA GLU 15 46.123 9.592 4.952 1193 1HB GLU 15 2HB GLU 15 44.942 8.696 2.491 1194 2HB GLU 15 3HB GLU 15 46.618 8.186 2.478 1195 1HG GLU 15 2HG GLU 15 44.914 7.770 4.958 1196 2HG GLU 15 3HG GLU 15 44.818 6.640 3.620 1197 H ARG 16 HN ARG 16 48.363 9.315 5.225 1198 HA ARG 16 HA ARG 16 50.450 9.868 5.095 1199 1HB ARG 16 2HB ARG 16 50.005 8.458 2.867 1200 2HB ARG 16 3HB ARG 16 50.351 9.978 2.067 1201 1HG ARG 16 2HG ARG 16 52.587 9.970 2.694 1202 2HG ARG 16 3HG ARG 16 52.272 9.169 4.220 1203 1HD ARG 16 2HD ARG 16 51.681 7.498 1.825 1204 2HD ARG 16 3HD ARG 16 53.369 7.938 1.993 1205 HE ARG 16 HE ARG 16 51.900 6.086 3.672 1206 1HH1 ARG 16 2HH2 ARG 16 54.512 8.444 3.729 1207 2HH1 ARG 16 1HH2 ARG 16 55.318 7.709 5.075 1208 1HH2 ARG 16 2HH1 ARG 16 52.963 5.117 5.449 1209 2HH2 ARG 16 1HH1 ARG 16 54.430 5.804 6.060 1210 H ARG 17 HN ARG 17 52.146 11.494 3.807 1211 HA ARG 17 HA ARG 17 52.704 13.524 3.307 1212 1HB ARG 17 2HB ARG 17 49.873 13.512 2.303 1213 2HB ARG 17 3HB ARG 17 50.595 15.092 2.532 1214 1HG ARG 17 2HG ARG 17 52.443 13.221 1.197 1215 2HG ARG 17 3HG ARG 17 50.947 13.408 0.306 1216 1HD ARG 17 2HD ARG 17 51.668 15.414 -0.472 1217 2HD ARG 17 3HD ARG 17 51.693 16.036 1.166 1218 HE ARG 17 HE ARG 17 54.017 15.888 1.124 1219 1HH1 ARG 17 2HH2 ARG 17 52.714 13.616 -1.226 1220 2HH1 ARG 17 1HH2 ARG 17 54.270 13.133 -1.813 1221 1HH2 ARG 17 2HH1 ARG 17 56.071 15.252 0.349 1222 2HH2 ARG 17 1HH1 ARG 17 56.192 14.070 -0.912 1223 H ARG 18 HN ARG 18 49.397 13.613 4.834 1224 HA ARG 18 HA ARG 18 50.012 15.941 6.282 1225 1HB ARG 18 2HB ARG 18 47.793 13.885 6.751 1226 2HB ARG 18 3HB ARG 18 47.830 15.505 7.418 1227 1HG ARG 18 2HG ARG 18 47.407 16.527 5.343 1228 2HG ARG 18 3HG ARG 18 48.085 15.197 4.425 1229 1HD ARG 18 2HD ARG 18 46.080 13.790 5.365 1230 2HD ARG 18 3HD ARG 18 45.372 15.334 5.795 1231 HE ARG 18 HE ARG 18 44.928 15.731 3.532 1232 1HH1 ARG 18 2HH2 ARG 18 47.357 13.198 3.796 1233 2HH1 ARG 18 1HH2 ARG 18 47.353 12.841 2.101 1234 1HH2 ARG 18 2HH1 ARG 18 44.922 15.260 1.296 1235 2HH2 ARG 18 1HH1 ARG 18 45.959 14.021 0.670 1236 H SER 19 HN SER 19 52.056 13.977 6.710 1237 HA SER 19 HA SER 19 52.080 12.222 8.569 1238 1HB SER 19 2HB SER 19 53.900 14.505 8.014 1239 2HB SER 19 3HB SER 19 54.130 13.777 9.592 1240 HG SER 19 HG SER 19 54.203 11.654 8.409 1241 H GLN 20 HN GLN 20 51.522 15.716 9.251 1242 HA GLN 20 HA GLN 20 50.011 15.072 11.525 1243 1HB GLN 20 2HB GLN 20 52.758 15.194 12.047 1244 2HB GLN 20 3HB GLN 20 52.202 16.796 12.489 1245 1HG GLN 20 2HG GLN 20 50.238 15.417 13.696 1246 2HG GLN 20 3HG GLN 20 51.420 14.124 13.658 1247 1HE2 GLN 20 1HE2 GLN 20 52.917 14.034 15.167 1248 2HE2 GLN 20 2HE2 GLN 20 53.324 15.280 16.299 1249 H LEU 21 HN LEU 21 49.339 16.413 9.220 1250 HA LEU 21 HA LEU 21 49.811 19.085 9.028 1251 1HB LEU 21 2HB LEU 21 48.231 17.260 7.776 1252 2HB LEU 21 3HB LEU 21 47.021 18.253 8.564 1253 HG LEU 21 HG LEU 21 49.085 19.102 6.527 1254 1HD1 LEU 21 1HD1 LEU 21 47.352 18.464 5.232 1255 2HD1 LEU 21 2HD1 LEU 21 46.161 18.632 6.545 1256 3HD1 LEU 21 3HD1 LEU 21 46.719 20.072 5.661 1257 1HD2 LEU 21 1HD2 LEU 21 48.364 20.665 8.694 1258 2HD2 LEU 21 2HD2 LEU 21 49.026 21.243 7.147 1259 3HD2 LEU 21 3HD2 LEU 21 47.265 21.210 7.405 1260 H ASP 22 HN ASP 22 50.034 20.248 10.937 1261 HA ASP 22 HA ASP 22 48.001 20.039 12.917 1262 1HB ASP 22 2HB ASP 22 50.653 20.719 12.972 1263 2HB ASP 22 3HB ASP 22 49.945 22.321 12.942 1264 H ARG 23 HN ARG 23 46.624 21.902 13.587 1265 HA ARG 23 HA ARG 23 45.501 23.210 11.436 1266 1HB ARG 23 2HB ARG 23 44.501 22.696 13.778 1267 2HB ARG 23 3HB ARG 23 45.319 24.141 14.339 1268 1HG ARG 23 2HG ARG 23 43.023 24.724 13.733 1269 2HG ARG 23 3HG ARG 23 44.116 25.488 12.596 1270 1HD ARG 23 2HD ARG 23 43.155 24.394 10.852 1271 2HD ARG 23 3HD ARG 23 43.451 22.840 11.606 1272 HE ARG 23 HE ARG 23 41.301 23.587 13.029 1273 1HH1 ARG 23 2HH2 ARG 23 41.882 23.957 9.577 1274 2HH1 ARG 23 1HH2 ARG 23 40.204 23.880 9.158 1275 1HH2 ARG 23 2HH1 ARG 23 39.087 23.486 12.474 1276 2HH2 ARG 23 1HH1 ARG 23 38.603 23.611 10.816 1277 H ASP 24 HN ASP 24 48.423 23.827 13.111 1278 HA ASP 24 HA ASP 24 48.354 26.601 12.210 1279 1HB ASP 24 2HB ASP 24 48.972 25.497 14.790 1280 2HB ASP 24 3HB ASP 24 50.478 26.094 14.124 1281 H GLN 25 HN GLN 25 49.076 24.113 10.706 1282 HA GLN 25 HA GLN 25 51.936 24.604 10.404 1283 1HB GLN 25 2HB GLN 25 50.333 22.096 10.473 1284 2HB GLN 25 3HB GLN 25 51.536 22.159 9.201 1285 1HG GLN 25 2HG GLN 25 53.101 23.062 11.191 1286 2HG GLN 25 3HG GLN 25 51.930 22.227 12.192 1287 1HE2 GLN 25 1HE2 GLN 25 54.743 21.655 11.694 1288 2HE2 GLN 25 2HE2 GLN 25 54.845 20.037 11.085 1289 H CYS 26 HN CYS 26 52.594 23.717 7.994 1290 HA CYS 26 HA CYS 26 50.790 25.188 6.227 1291 1HB CYS 26 2HB CYS 26 53.126 26.028 6.422 1292 2HB CYS 26 3HB CYS 26 53.717 24.496 5.810 1293 H ALA 27 HN ALA 27 49.798 24.098 4.517 1294 HA ALA 27 HA ALA 27 50.208 21.218 4.460 1295 1HB ALA 27 1HB ALA 27 47.933 22.489 4.611 1296 2HB ALA 27 2HB ALA 27 48.161 22.776 2.869 1297 3HB ALA 27 3HB ALA 27 48.069 21.111 3.492 1298 H TYR 28 HN TYR 28 52.135 23.367 3.358 1299 HA TYR 28 HA TYR 28 52.205 22.287 0.621 1300 1HB TYR 28 2HB TYR 28 51.564 24.778 0.958 1301 2HB TYR 28 3HB TYR 28 53.119 25.015 1.731 1302 HD1 TYR 28 HD1 TYR 28 51.416 25.468 -1.245 1303 HD2 TYR 28 HD2 TYR 28 55.170 24.015 0.203 1304 HE1 TYR 28 HE1 TYR 28 52.476 25.937 -3.506 1305 HE2 TYR 28 HE2 TYR 28 56.218 24.489 -2.064 1306 HH TYR 28 HH TYR 28 54.966 24.648 -4.629 1307 H CYS 29 HN CYS 29 54.285 24.090 3.007 1308 HA CYS 29 HA CYS 29 56.493 22.399 2.137 1309 1HB CYS 29 2HB CYS 29 57.953 24.059 3.182 1310 2HB CYS 29 3HB CYS 29 56.882 24.813 2.018 1311 H LYS 30 HN LYS 30 54.172 22.967 4.684 1312 HA LYS 30 HA LYS 30 53.771 21.486 6.373 1313 1HB LYS 30 2HB LYS 30 56.707 20.751 6.423 1314 2HB LYS 30 3HB LYS 30 55.379 19.920 7.207 1315 1HG LYS 30 2HG LYS 30 54.863 20.217 4.336 1316 2HG LYS 30 3HG LYS 30 56.403 19.427 4.609 1317 1HD LYS 30 2HD LYS 30 55.381 17.501 5.242 1318 2HD LYS 30 3HD LYS 30 54.435 18.340 6.455 1319 1HE LYS 30 2HE LYS 30 52.571 18.413 5.127 1320 2HE LYS 30 3HE LYS 30 53.485 18.890 3.710 1321 1HZ LYS 30 1HZ LYS 30 53.694 16.159 4.709 1322 2HZ LYS 30 2HZ LYS 30 52.418 16.593 3.786 1323 3HZ LYS 30 3HZ LYS 30 53.935 16.717 3.194 1324 H GLU 31 HN GLU 31 56.411 23.814 6.120 1325 HA GLU 31 HA GLU 31 57.229 24.308 8.549 1326 1HB GLU 31 2HB GLU 31 56.179 26.347 6.545 1327 2HB GLU 31 3HB GLU 31 57.079 26.805 7.977 1328 1HG GLU 31 2HG GLU 31 59.032 25.528 7.254 1329 2HG GLU 31 3HG GLU 31 58.137 24.799 5.935 1330 H LYS 32 HN LYS 32 56.565 25.571 10.434 1331 HA LYS 32 HA LYS 32 53.645 25.573 10.731 1332 1HB LYS 32 2HB LYS 32 54.014 25.246 13.102 1333 2HB LYS 32 3HB LYS 32 54.836 23.996 12.191 1334 1HG LYS 32 2HG LYS 32 56.479 26.429 12.724 1335 2HG LYS 32 3HG LYS 32 56.019 25.530 14.157 1336 1HD LYS 32 2HD LYS 32 56.872 23.414 12.995 1337 2HD LYS 32 3HD LYS 32 57.495 24.439 11.719 1338 1HE LYS 32 2HE LYS 32 59.373 24.747 12.955 1339 2HE LYS 32 3HE LYS 32 58.414 25.644 14.116 1340 1HZ LYS 32 1HZ LYS 32 59.303 22.905 14.223 1341 2HZ LYS 32 2HZ LYS 32 59.129 23.992 15.429 1342 3HZ LYS 32 3HZ LYS 32 57.822 23.204 14.845 1343 H GLY 33 HN GLY 33 52.581 27.433 11.398 1344 1HA GLY 33 1HA GLY 33 52.871 29.567 12.615 1345 2HA GLY 33 2HA GLY 33 54.291 29.838 11.627 1346 H HIS 34 HN HIS 34 53.426 28.941 9.083 1347 HA HIS 34 HA HIS 34 51.262 30.850 8.570 1348 1HB HIS 34 2HB HIS 34 52.275 31.374 6.477 1349 2HB HIS 34 3HB HIS 34 53.498 31.525 7.722 1350 HD1 HIS 34 HD1 HIS 34 55.629 30.200 7.415 1351 HD2 HIS 34 HD2 HIS 34 52.539 28.902 4.893 1352 HE1 HIS 34 HE1 HIS 34 56.672 28.500 5.823 1353 H TRP 35 HN TRP 35 49.918 30.310 6.589 1354 HA TRP 35 HA TRP 35 49.430 27.425 6.603 1355 1HB TRP 35 2HB TRP 35 47.750 29.849 6.264 1356 2HB TRP 35 3HB TRP 35 47.309 28.447 5.309 1357 HD1 TRP 35 HD1 TRP 35 48.475 28.592 9.047 1358 HE1 TRP 35 HE1 TRP 35 46.735 27.358 10.600 1359 HE3 TRP 35 HE3 TRP 35 45.172 27.475 5.345 1360 HZ2 TRP 35 HZ2 TRP 35 44.228 26.081 10.116 1361 HZ3 TRP 35 HZ3 TRP 35 43.103 26.232 5.971 1362 HH2 TRP 35 HH2 TRP 35 42.607 25.540 8.262 1363 H ALA 36 HN ALA 36 48.710 26.524 4.387 1364 HA ALA 36 HA ALA 36 50.771 26.878 2.555 1365 1HB ALA 36 1HB ALA 36 48.037 25.840 1.797 1366 2HB ALA 36 2HB ALA 36 49.642 25.257 1.297 1367 3HB ALA 36 3HB ALA 36 49.055 24.939 2.947 1368 H LYS 37 HN LYS 37 47.529 28.385 2.860 1369 HA LYS 37 HA LYS 37 47.545 29.595 0.322 1370 1HB LYS 37 2HB LYS 37 46.076 30.447 2.835 1371 2HB LYS 37 3HB LYS 37 45.690 30.917 1.193 1372 1HG LYS 37 2HG LYS 37 45.825 27.981 1.954 1373 2HG LYS 37 3HG LYS 37 44.381 28.914 2.286 1374 1HD LYS 37 2HD LYS 37 44.123 29.481 -0.088 1375 2HD LYS 37 3HD LYS 37 45.668 28.749 -0.477 1376 1HE LYS 37 2HE LYS 37 44.228 26.716 0.882 1377 2HE LYS 37 3HE LYS 37 43.045 27.476 -0.164 1378 1HZ LYS 37 1HZ LYS 37 45.527 26.144 -0.901 1379 2HZ LYS 37 2HZ LYS 37 44.029 25.949 -1.523 1380 3HZ LYS 37 3HZ LYS 37 44.903 27.277 -1.899 1381 H ASP 38 HN ASP 38 49.519 30.070 3.058 1382 HA ASP 38 HA ASP 38 50.221 32.695 2.014 1383 1HB ASP 38 2HB ASP 38 49.103 32.233 4.526 1384 2HB ASP 38 3HB ASP 38 50.818 32.226 4.884 1385 H CYS 39 HN CYS 39 51.267 29.962 1.435 1386 HA CYS 39 HA CYS 39 53.665 29.675 2.966 1387 1HB CYS 39 2HB CYS 39 52.417 27.719 2.080 1388 2HB CYS 39 3HB CYS 39 52.784 28.232 0.444 1389 HA PRO 40 HA PRO 40 55.917 32.358 0.340 1390 1HB PRO 40 2HB PRO 40 58.411 31.958 1.382 1391 2HB PRO 40 3HB PRO 40 57.247 33.065 2.081 1392 1HG PRO 40 2HG PRO 40 58.068 30.392 3.039 1393 2HG PRO 40 3HG PRO 40 57.253 31.670 3.918 1394 1HD PRO 40 2HD PRO 40 56.062 29.285 2.860 1395 2HD PRO 40 3HD PRO 40 55.228 30.617 3.636 1396 H LYS 41 HN LYS 41 55.758 29.151 0.103 1397 HA LYS 41 HA LYS 41 57.946 28.959 -1.810 1398 1HB LYS 41 2HB LYS 41 57.182 27.232 0.098 1399 2HB LYS 41 3HB LYS 41 56.160 26.649 -1.201 1400 1HG LYS 41 2HG LYS 41 57.970 26.010 -2.542 1401 2HG LYS 41 3HG LYS 41 59.046 27.213 -1.857 1402 1HD LYS 41 2HD LYS 41 58.112 24.634 -0.517 1403 2HD LYS 41 3HD LYS 41 59.732 24.987 -1.087 1404 1HE LYS 41 2HE LYS 41 59.356 27.126 0.587 1405 2HE LYS 41 3HE LYS 41 58.337 25.945 1.385 1406 1HZ LYS 41 1HZ LYS 41 60.405 24.448 1.008 1407 2HZ LYS 41 2HZ LYS 41 61.201 25.872 0.947 1408 3HZ LYS 41 3HZ LYS 41 60.345 25.473 2.279 1409 H LYS 42 HN LYS 42 54.452 29.336 -1.574 1410 HA LYS 42 HA LYS 42 53.984 28.474 -4.269 1411 1HB LYS 42 2HB LYS 42 51.678 29.212 -3.824 1412 2HB LYS 42 3HB LYS 42 52.278 28.122 -2.590 1413 1HG LYS 42 2HG LYS 42 52.181 29.719 -0.950 1414 2HG LYS 42 3HG LYS 42 52.843 30.966 -1.988 1415 1HD LYS 42 2HD LYS 42 50.656 31.750 -1.671 1416 2HD LYS 42 3HD LYS 42 50.491 30.884 -3.185 1417 1HE LYS 42 2HE LYS 42 50.040 28.853 -1.353 1418 2HE LYS 42 3HE LYS 42 49.374 30.233 -0.503 1419 1HZ LYS 42 1HZ LYS 42 47.745 29.214 -1.915 1420 2HZ LYS 42 2HZ LYS 42 48.059 30.720 -2.459 1421 3HZ LYS 42 3HZ LYS 42 48.674 29.425 -3.241 1422 HA PRO 43 HA PRO 43 55.214 32.373 -5.831 1423 1HB PRO 43 2HB PRO 43 55.224 31.676 -8.472 1424 2HB PRO 43 3HB PRO 43 56.595 31.427 -7.411 1425 1HG PRO 43 2HG PRO 43 54.672 29.437 -8.451 1426 2HG PRO 43 3HG PRO 43 56.260 29.172 -7.758 1427 1HD PRO 43 2HD PRO 43 53.732 28.739 -6.473 1428 2HD PRO 43 3HD PRO 43 55.319 28.585 -5.744 1429 H ARG 44 HN ARG 44 53.886 34.061 -5.726 1430 HA ARG 44 HA ARG 44 51.335 33.614 -7.034 1431 1HB ARG 44 2HB ARG 44 52.266 35.313 -4.723 1432 2HB ARG 44 3HB ARG 44 50.929 35.930 -5.673 1433 1HG ARG 44 2HG ARG 44 49.478 34.257 -4.992 1434 2HG ARG 44 3HG ARG 44 50.738 33.042 -4.911 1435 1HD ARG 44 2HD ARG 44 50.134 33.424 -2.632 1436 2HD ARG 44 3HD ARG 44 51.636 34.303 -2.835 1437 HE ARG 44 HE ARG 44 49.808 36.239 -3.447 1438 1HH1 ARG 44 2HH2 ARG 44 49.985 33.966 -0.766 1439 2HH1 ARG 44 1HH2 ARG 44 49.171 35.016 0.345 1440 1HH2 ARG 44 2HH1 ARG 44 48.734 37.624 -1.981 1441 2HH2 ARG 44 1HH1 ARG 44 48.454 37.111 -0.351 1442 H GLY 45 HN GLY 45 50.494 35.206 -8.538 1443 1HA GLY 45 1HA GLY 45 50.868 37.503 -9.410 1444 2HA GLY 45 2HA GLY 45 52.557 37.060 -9.570 1445 HA PRO 46 HA PRO 46 52.340 38.443 -11.114 1446 1HB PRO 46 2HB PRO 46 51.560 39.889 -13.300 1447 2HB PRO 46 3HB PRO 46 53.065 38.994 -13.230 1448 1HG PRO 46 2HG PRO 46 50.572 38.319 -14.669 1449 2HG PRO 46 3HG PRO 46 52.189 37.689 -14.917 1450 1HD PRO 46 2HD PRO 46 50.018 36.369 -13.586 1451 2HD PRO 46 3HD PRO 46 51.664 35.789 -13.734 1452 H ARG 47 HN ARG 47 51.603 39.969 -9.751 1453 HA ARG 47 HA ARG 47 48.801 39.908 -9.372 1454 1HB ARG 47 2HB ARG 47 50.850 40.323 -7.673 1455 2HB ARG 47 3HB ARG 47 50.567 42.002 -8.088 1456 1HG ARG 47 2HG ARG 47 48.081 41.592 -7.528 1457 2HG ARG 47 3HG ARG 47 48.572 40.047 -6.865 1458 1HD ARG 47 2HD ARG 47 50.255 42.268 -5.881 1459 2HD ARG 47 3HD ARG 47 48.561 42.498 -5.496 1460 HE ARG 47 HE ARG 47 49.323 39.780 -4.919 1461 1HH1 ARG 47 2HH2 ARG 47 49.696 43.059 -3.698 1462 2HH1 ARG 47 1HH2 ARG 47 49.920 42.558 -2.056 1463 1HH2 ARG 47 2HH1 ARG 47 49.618 39.118 -2.752 1464 2HH2 ARG 47 1HH1 ARG 47 49.876 40.302 -1.514 1465 H GLY 48 HN GLY 48 47.292 41.659 -9.700 1466 1HA GLY 48 1HA GLY 48 48.309 44.018 -11.128 1467 2HA GLY 48 2HA GLY 48 47.086 43.022 -11.891 1468 HA PRO 49 HA PRO 49 45.284 45.905 -8.649 1469 1HB PRO 49 2HB PRO 49 45.085 48.334 -9.887 1470 2HB PRO 49 3HB PRO 49 46.364 47.936 -8.756 1471 1HG PRO 49 2HG PRO 49 46.491 48.138 -11.703 1472 2HG PRO 49 3HG PRO 49 47.804 48.166 -10.543 1473 1HD PRO 49 2HD PRO 49 47.038 45.966 -12.216 1474 2HD PRO 49 3HD PRO 49 48.275 45.957 -10.975 1475 H ARG 50 HN ARG 50 43.719 44.238 -9.258 1476 HA ARG 50 HA ARG 50 41.574 45.618 -10.585 1477 1HB ARG 50 2HB ARG 50 42.980 44.095 -12.235 1478 2HB ARG 50 3HB ARG 50 42.180 42.761 -11.430 1479 1HG ARG 50 2HG ARG 50 40.339 43.091 -12.706 1480 2HG ARG 50 3HG ARG 50 40.143 44.688 -12.012 1481 1HD ARG 50 2HD ARG 50 41.448 45.727 -13.747 1482 2HD ARG 50 3HD ARG 50 42.116 44.196 -14.279 1483 HE ARG 50 HE ARG 50 39.180 44.390 -14.471 1484 1HH1 ARG 50 2HH2 ARG 50 42.259 44.812 -16.121 1485 2HH1 ARG 50 1HH2 ARG 50 41.567 44.718 -17.706 1486 1HH2 ARG 50 2HH1 ARG 50 38.267 44.263 -16.562 1487 2HH2 ARG 50 1HH1 ARG 50 39.282 44.403 -17.958 1488 HA PRO 51 HA PRO 51 39.926 43.411 -7.100 1489 1HB PRO 51 2HB PRO 51 37.728 44.992 -6.727 1490 2HB PRO 51 3HB PRO 51 39.286 45.328 -5.998 1491 1HG PRO 51 2HG PRO 51 37.986 46.666 -8.292 1492 2HG PRO 51 3HG PRO 51 39.309 47.236 -7.293 1493 1HD PRO 51 2HD PRO 51 39.503 46.158 -9.943 1494 2HD PRO 51 3HD PRO 51 40.832 46.621 -8.901 1495 H GLN 52 HN GLN 52 37.596 42.571 -6.489 1496 HA GLN 52 HA GLN 52 36.683 41.427 -9.008 1497 1HB GLN 52 2HB GLN 52 37.158 40.323 -6.320 1498 2HB GLN 52 3HB GLN 52 35.567 39.911 -6.929 1499 1HG GLN 52 2HG GLN 52 37.805 39.638 -8.897 1500 2HG GLN 52 3HG GLN 52 37.848 38.519 -7.550 1501 1HE2 GLN 52 1HE2 GLN 52 37.337 36.708 -8.652 1502 2HE2 GLN 52 2HE2 GLN 52 35.802 36.395 -9.392 1503 H THR 53 HN THR 53 35.491 43.576 -9.254 1504 HA THR 53 HA THR 53 33.000 43.515 -7.680 1505 HB THR 53 HB THR 53 32.961 45.986 -8.095 1506 HG1 THR 53 HG1 THR 53 35.670 45.884 -8.956 1507 1HG2 THR 53 1HG2 THR 53 34.277 45.118 -6.089 1508 2HG2 THR 53 2HG2 THR 53 35.731 45.122 -7.116 1509 3HG2 THR 53 3HG2 THR 53 34.899 46.652 -6.744 1510 H SER 54 HN SER 54 31.137 43.131 -8.714 1511 HA SER 54 HA SER 54 30.604 44.033 -11.259 1512 1HB SER 54 2HB SER 54 30.722 42.039 -12.631 1513 2HB SER 54 3HB SER 54 32.303 42.296 -11.918 1514 HG SER 54 HG SER 54 32.156 40.424 -10.889 1515 H LEU 55 HN LEU 55 28.390 43.467 -11.905 1516 HA LEU 55 HA LEU 55 26.880 42.436 -9.636 1517 1HB LEU 55 2HB LEU 55 26.468 44.431 -11.720 1518 2HB LEU 55 3HB LEU 55 25.103 43.343 -11.564 1519 HG LEU 55 HG LEU 55 25.835 44.086 -8.926 1520 1HD1 LEU 55 1HD1 LEU 55 26.406 46.240 -8.885 1521 2HD1 LEU 55 2HD1 LEU 55 26.800 46.053 -10.611 1522 3HD1 LEU 55 3HD1 LEU 55 25.204 46.674 -10.124 1523 1HD2 LEU 55 1HD2 LEU 55 23.554 43.690 -10.350 1524 2HD2 LEU 55 2HD2 LEU 55 23.620 44.412 -8.724 1525 3HD2 LEU 55 3HD2 LEU 55 23.532 45.461 -10.159 1526 H LEU 56 HN LEU 56 24.881 41.068 -10.237 1527 HA LEU 56 HA LEU 56 25.687 39.170 -12.331 1528 1HB LEU 56 2HB LEU 56 25.979 38.384 -9.973 1529 2HB LEU 56 3HB LEU 56 24.247 38.534 -9.756 1530 HG LEU 56 HG LEU 56 25.464 36.785 -11.901 1531 1HD1 LEU 56 1HD1 LEU 56 24.911 36.161 -9.004 1532 2HD1 LEU 56 2HD1 LEU 56 24.895 34.898 -10.259 1533 3HD1 LEU 56 3HD1 LEU 56 26.375 35.841 -9.965 1534 1HD2 LEU 56 1HD2 LEU 56 22.964 35.843 -10.911 1535 2HD2 LEU 56 2HD2 LEU 56 22.799 37.578 -11.273 1536 3HD2 LEU 56 3HD2 LEU 56 23.366 36.455 -12.533 Start of MODEL 5 1 1H5* G 276 1H5* G 276 65.943 32.834 -14.619 2 2H5* G 276 2H5* G 276 67.338 32.401 -15.608 3 H4* G 276 H4* G 276 67.983 31.751 -13.485 4 H3* G 276 H3* G 276 66.957 29.406 -15.030 5 H2* G 276 H2* G 276 67.308 27.955 -13.178 6 2HO* G 276 2HO* G 276 68.174 30.095 -11.550 7 H1* G 276 H1* G 276 65.957 29.550 -11.375 8 H8 G 276 H8 G 276 64.199 30.056 -14.581 9 H1 G 276 H1 G 276 62.660 24.443 -11.748 10 1H2 G 276 1H2 G 276 63.970 24.073 -10.200 11 2H2 G 276 2H2 G 276 65.288 25.125 -9.737 12 1H5* G 277 1H5* G 277 70.357 27.552 -13.214 13 2H5* G 277 2H5* G 277 71.180 26.757 -14.557 14 H4* G 277 H4* G 277 70.560 25.191 -12.775 15 H3* G 277 H3* G 277 69.275 24.806 -15.480 16 H2* G 277 H2* G 277 68.402 22.744 -14.712 17 2HO* G 277 2HO* G 277 69.265 21.964 -12.647 18 H1* G 277 H1* G 277 67.648 23.862 -12.200 19 H8 G 277 H8 G 277 66.623 26.110 -14.960 20 H1 G 277 H1 G 277 62.530 21.176 -14.075 21 1H2 G 277 1H2 G 277 63.381 19.795 -12.801 22 2H2 G 277 2H2 G 277 64.967 19.951 -12.080 23 1H5* C 278 1H5* C 278 71.792 21.458 -14.661 24 2H5* C 278 2H5* C 278 72.434 20.624 -16.077 25 H4* C 278 H4* C 278 71.055 19.128 -14.771 26 H3* C 278 H3* C 278 69.976 19.896 -17.478 27 H2* C 278 H2* C 278 68.232 18.310 -17.195 28 2HO* C 278 2HO* C 278 69.782 16.856 -16.161 29 H1* C 278 H1* C 278 67.671 19.159 -14.567 30 1H4 C 278 1H4 C 278 63.397 22.167 -18.247 31 2H4 C 278 2H4 C 278 64.576 23.424 -18.550 32 H5 C 278 H5 C 278 66.817 23.331 -17.812 33 H6 C 278 H6 C 278 68.497 21.994 -16.590 34 1H5* G 279 1H5* G 279 71.060 15.509 -17.731 35 2H5* G 279 2H5* G 279 71.245 15.056 -19.426 36 H4* G 279 H4* G 279 69.430 13.848 -18.243 37 H3* G 279 H3* G 279 68.777 15.516 -20.669 38 H2* G 279 H2* G 279 66.571 14.628 -20.629 39 2HO* G 279 2HO* G 279 66.424 13.020 -18.614 40 H1* G 279 H1* G 279 66.315 15.074 -17.846 41 H8 G 279 H8 G 279 67.926 18.059 -19.262 42 H1 G 279 H1 G 279 61.560 17.915 -20.420 43 1H2 G 279 1H2 G 279 60.821 16.044 -19.972 44 2H2 G 279 2H2 G 279 61.782 14.711 -19.371 45 1H5* G 280 1H5* G 280 67.596 11.160 -22.471 46 2H5* G 280 2H5* G 280 68.229 11.592 -24.058 47 H4* G 280 H4* G 280 65.846 10.855 -24.044 48 H3* G 280 H3* G 280 66.640 13.534 -25.154 49 H2* G 280 H2* G 280 64.404 13.907 -25.857 50 2HO* G 280 2HO* G 280 63.128 11.728 -25.006 51 H1* G 280 H1* G 280 63.292 13.168 -23.407 52 H8 G 280 H8 G 280 66.401 14.951 -22.566 53 H1 G 280 H1 G 280 61.635 18.972 -24.300 54 1H2 G 280 1H2 G 280 60.093 17.892 -25.140 55 2H2 G 280 2H2 G 280 60.091 16.155 -25.344 56 1H5* U 281 1H5* U 281 64.422 12.200 -27.671 57 2H5* U 281 2H5* U 281 64.971 11.689 -29.267 58 H4* U 281 H4* U 281 63.185 12.999 -29.828 59 H3* U 281 H3* U 281 65.582 14.833 -29.803 60 H2* U 281 H2* U 281 64.201 16.568 -30.627 61 2HO* U 281 2HO* U 281 61.961 14.839 -30.729 62 H1* U 281 H1* U 281 62.085 15.907 -28.839 63 H3 U 281 H3 U 281 63.366 20.109 -27.631 64 H5 U 281 H5 U 281 66.321 17.611 -26.029 65 H6 U 281 H6 U 281 65.290 15.762 -27.266 66 2HO* AP7 282 2HO* A 282 62.835 20.041 -34.620 67 H2* AP7 282 H2* A 282 65.070 19.916 -33.856 68 H3* AP7 282 H3* A 282 66.136 17.817 -34.118 69 H4* AP7 282 H4* A 282 63.457 16.612 -34.812 70 H1* AP7 282 H1* A 282 62.895 18.770 -32.420 71 H8 AP7 282 H8 A 282 66.316 17.595 -31.384 72 H2 AP7 282 H2 A 282 62.746 22.740 -29.929 73 H1 AP7 282 H1 A 282 64.355 22.966 -28.361 74 1H6 AP7 282 1H6 A 282 66.294 22.304 -27.289 75 2H6 AP7 282 2H6 A 282 67.161 20.874 -27.798 76 2H5* AP7 282 2H5* A 282 65.510 15.251 -35.102 77 1H5* AP7 282 1H5* A 282 64.337 14.557 -33.984 78 1H5* C 283 1H5* C 283 64.603 19.921 -37.311 79 2H5* C 283 2H5* C 283 65.708 20.761 -38.398 80 H4* C 283 H4* C 283 64.447 22.391 -37.195 81 H3* C 283 H3* C 283 67.332 22.194 -36.352 82 H2* C 283 H2* C 283 67.028 24.081 -34.948 83 2HO* C 283 2HO* C 283 64.432 24.128 -36.199 84 H1* C 283 H1* C 283 64.603 23.094 -33.888 85 1H4 C 283 1H4 C 283 69.038 21.576 -29.548 86 2H4 C 283 2H4 C 283 69.439 20.151 -30.482 87 H5 C 283 H5 C 283 68.515 19.664 -32.600 88 H6 C 283 H6 C 283 66.962 20.430 -34.360 89 1H5* U 284 1H5* U 284 66.646 25.994 -36.771 90 2H5* U 284 2H5* U 284 67.497 26.730 -38.129 91 H4* U 284 H4* U 284 67.846 28.256 -36.438 92 H3* U 284 H3* U 284 70.213 26.413 -36.588 93 H2* U 284 H2* U 284 71.290 27.654 -34.864 94 2HO* U 284 2HO* U 284 70.115 29.620 -34.158 95 H1* U 284 H1* U 284 69.069 27.589 -33.180 96 H3 U 284 H3 U 284 71.994 24.696 -31.251 97 H5 U 284 H5 U 284 70.350 22.525 -34.432 98 H6 U 284 H6 U 284 69.257 24.598 -35.153 99 1H5* A 285 1H5* A 285 72.324 30.567 -37.290 100 2H5* A 285 2H5* A 285 73.753 29.977 -38.136 101 H4* A 285 H4* A 285 74.070 31.180 -35.893 102 H3* A 285 H3* A 285 75.387 28.577 -36.633 103 H2* A 285 H2* A 285 76.613 28.636 -34.602 104 2HO* A 285 2HO* A 285 75.630 30.897 -33.487 105 H1* A 285 H1* A 285 74.363 29.239 -33.045 106 H8 A 285 H8 A 285 73.212 26.829 -35.575 107 1H6 A 285 1H6 A 285 75.558 22.277 -32.008 108 2H6 A 285 2H6 A 285 74.545 22.612 -33.394 109 H2 A 285 H2 A 285 77.013 26.169 -30.431 110 1H5* G 286 1H5* G 286 78.772 30.993 -35.191 111 2H5* G 286 2H5* G 286 80.043 30.635 -36.359 112 H4* G 286 H4* G 286 80.706 30.126 -34.050 113 H3* G 286 H3* G 286 80.569 27.847 -36.022 114 H2* G 286 H2* G 286 81.570 26.439 -34.398 115 2HO* G 286 2HO* G 286 83.056 27.935 -33.609 116 H1* G 286 H1* G 286 79.888 27.398 -32.328 117 H8 G 286 H8 G 286 77.811 26.852 -35.325 118 H1 G 286 H1 G 286 79.176 21.345 -32.211 119 1H2 G 286 1H2 G 286 80.651 21.693 -30.812 120 2H2 G 286 2H2 G 286 81.406 23.245 -30.526 121 1H5* U 287 1H5* U 287 84.582 28.207 -34.865 122 2H5* U 287 2H5* U 287 85.780 27.566 -35.989 123 H4* U 287 H4* U 287 85.676 26.273 -33.915 124 H3* U 287 H3* U 287 84.872 24.862 -36.460 125 H2* U 287 H2* U 287 84.816 22.827 -35.253 126 2HO* U 287 2HO* U 287 85.587 23.979 -32.824 127 H1* U 287 H1* U 287 83.491 24.048 -33.038 128 H3 U 287 H3 U 287 80.628 20.855 -34.616 129 H5 U 287 H5 U 287 80.182 24.087 -37.243 130 H6 U 287 H6 U 287 82.101 25.130 -36.127 131 1H5* U 288 1H5* U 288 87.683 22.729 -34.981 132 2H5* U 288 2H5* U 288 89.023 22.169 -35.980 133 H4* U 288 H4* U 288 88.079 20.203 -35.198 134 H3* U 288 H3* U 288 86.956 20.768 -37.944 135 H2* U 288 H2* U 288 85.895 18.664 -37.890 136 2HO* U 288 2HO* U 288 86.859 17.829 -35.442 137 H1* U 288 H1* U 288 85.193 18.996 -35.114 138 H3 U 288 H3 U 288 81.201 18.361 -37.209 139 H5 U 288 H5 U 288 82.297 22.274 -38.220 140 H6 U 288 H6 U 288 84.469 21.830 -37.172 141 1H5* G 289 1H5* G 289 88.830 16.798 -38.939 142 2H5* G 289 2H5* G 289 89.305 17.116 -40.607 143 H4* G 289 H4* G 289 87.667 15.278 -40.370 144 H3* G 289 H3* G 289 87.003 17.691 -42.033 145 H2* G 289 H2* G 289 84.946 16.718 -42.668 146 2HO* G 289 2HO* G 289 84.754 14.484 -42.470 147 H1* G 289 H1* G 289 84.439 15.808 -39.995 148 H8 G 289 H8 G 289 85.497 19.403 -40.465 149 H1 G 289 H1 G 289 79.100 18.452 -40.708 150 1H2 G 289 1H2 G 289 78.704 16.428 -40.717 151 2H2 G 289 2H2 G 289 79.924 15.175 -40.667 152 1H5* A 290 1H5* A 290 86.528 18.096 -45.907 153 2H5* A 290 2H5* A 290 85.197 18.225 -44.757 154 H4* A 290 H4* A 290 84.437 17.944 -47.079 155 H3* A 290 H3* A 290 83.705 15.863 -45.036 156 H2* A 290 H2* A 290 82.407 14.721 -46.637 157 2HO* A 290 2HO* A 290 81.752 15.891 -48.487 158 H1* A 290 H1* A 290 84.391 15.174 -48.685 159 H8 A 290 H8 A 290 86.264 13.674 -46.022 160 1H6 A 290 1H6 A 290 83.898 8.099 -47.528 161 2H6 A 290 2H6 A 290 85.142 8.908 -46.601 162 H2 A 290 H2 A 290 81.515 11.227 -49.598 163 1H5* G 291 1H5* G 291 80.421 14.900 -46.989 164 2H5* G 291 2H5* G 291 79.169 15.421 -45.861 165 H4* G 291 H4* G 291 79.120 13.003 -46.274 166 H3* G 291 H3* G 291 79.643 13.998 -43.488 167 H2* G 291 H2* G 291 79.608 11.758 -42.679 168 2HO* G 291 2HO* G 291 78.900 10.123 -44.175 169 H1* G 291 H1* G 291 81.390 10.836 -44.611 170 H8 G 291 H8 G 291 82.067 14.348 -43.372 171 H1 G 291 H1 G 291 84.967 9.685 -39.946 172 1H2 G 291 1H2 G 291 84.291 7.843 -40.581 173 2H2 G 291 2H2 G 291 83.114 7.598 -41.852 174 1H5* A 292 1H5* A 292 75.089 13.153 -44.366 175 2H5* A 292 2H5* A 292 74.030 13.604 -43.029 176 H4* A 292 H4* A 292 74.764 11.254 -42.936 177 H3* A 292 H3* A 292 75.517 13.101 -40.677 178 H2* A 292 H2* A 292 76.386 11.252 -39.485 179 2HO* A 292 2HO* A 292 74.606 9.918 -40.152 180 H1* A 292 H1* A 292 77.651 10.198 -41.820 181 H8 A 292 H8 A 292 77.871 13.847 -40.693 182 1H6 A 292 1H6 A 292 83.505 12.319 -38.484 183 2H6 A 292 2H6 A 292 82.387 13.644 -38.722 184 H2 A 292 H2 A 292 81.587 8.637 -40.065 185 1H5* A 293 1H5* A 293 74.071 10.146 -37.299 186 2H5* A 293 2H5* A 293 73.936 11.656 -36.399 187 H4* A 293 H4* A 293 75.969 9.835 -36.176 188 H3* A 293 H3* A 293 75.701 12.708 -35.374 189 H2* A 293 H2* A 293 77.981 12.796 -34.735 190 2HO* A 293 2HO* A 293 79.095 10.587 -34.989 191 H1* A 293 H1* A 293 78.951 11.679 -37.065 192 H8 A 293 H8 A 293 75.994 13.585 -38.155 193 1H6 A 293 1H6 A 293 79.533 18.725 -38.047 194 2H6 A 293 2H6 A 293 77.992 18.075 -38.560 195 H2 A 293 H2 A 293 81.780 15.448 -36.057 196 1H5* A 294 1H5* A 294 77.998 10.842 -32.588 197 2H5* A 294 2H5* A 294 77.343 10.996 -30.958 198 H4* A 294 H4* A 294 79.609 11.588 -30.796 199 H3* A 294 H3* A 294 77.807 13.993 -30.769 200 H2* A 294 H2* A 294 79.686 15.400 -30.408 201 2HO* A 294 2HO* A 294 81.056 14.300 -29.122 202 H1* A 294 H1* A 294 81.201 14.247 -32.445 203 H8 A 294 H8 A 294 77.622 14.374 -33.487 204 1H6 A 294 1H6 A 294 78.718 20.193 -35.459 205 2H6 A 294 2H6 A 294 77.550 18.891 -35.464 206 H2 A 294 H2 A 294 82.257 18.817 -33.153 207 1H5* C 295 1H5* C 295 80.063 13.932 -27.449 208 2H5* C 295 2H5* C 295 79.511 14.551 -25.893 209 H4* C 295 H4* C 295 81.295 15.936 -26.556 210 H3* C 295 H3* C 295 78.620 17.253 -26.968 211 H2* C 295 H2* C 295 79.718 19.255 -27.609 212 2HO* C 295 2HO* C 295 81.338 18.843 -25.937 213 H1* C 295 H1* C 295 81.535 17.886 -29.296 214 1H4 C 295 1H4 C 295 77.076 20.170 -33.253 215 2H4 C 295 2H4 C 295 76.024 18.841 -32.820 216 H5 C 295 H5 C 295 76.534 17.252 -31.149 217 H6 C 295 H6 C 295 78.194 16.539 -29.465 218 1H5* U 296 1H5* U 296 80.565 19.905 -23.700 219 2H5* U 296 2H5* U 296 79.169 20.378 -22.734 220 H4* U 296 H4* U 296 80.436 22.304 -23.582 221 H3* U 296 H3* U 296 77.572 21.962 -24.442 222 H2* U 296 H2* U 296 77.662 24.082 -25.514 223 2HO* U 296 2HO* U 296 79.007 24.887 -23.753 224 H1* U 296 H1* U 296 80.090 23.513 -26.802 225 H3 U 296 H3 U 296 76.856 23.611 -30.041 226 H5 U 296 H5 U 296 76.636 19.762 -28.403 227 H6 U 296 H6 U 296 78.194 20.518 -26.667 228 1H5* A 297 1H5* A 297 77.822 25.566 -22.315 229 2H5* A 297 2H5* A 297 76.346 26.149 -21.547 230 H4* A 297 H4* A 297 76.992 27.637 -23.331 231 H3* A 297 H3* A 297 74.474 26.052 -23.790 232 H2* A 297 H2* A 297 74.081 27.302 -25.776 233 2HO* A 297 2HO* A 297 76.412 28.735 -24.868 234 H1* A 297 H1* A 297 76.720 26.953 -26.688 235 H8 A 297 H8 A 297 75.715 23.732 -25.236 236 1H6 A 297 1H6 A 297 72.747 22.473 -30.579 237 2H6 A 297 2H6 A 297 73.301 21.784 -29.070 238 H2 A 297 H2 A 297 73.899 26.765 -30.606 239 1H5* G 298 1H5* G 298 73.591 30.270 -25.080 240 2H5* G 298 2H5* G 298 72.263 30.606 -23.969 241 H4* G 298 H4* G 298 71.602 31.273 -26.164 242 H3* G 298 H3* G 298 70.208 28.874 -25.048 243 H2* G 298 H2* G 298 68.878 28.662 -27.012 244 2HO* G 298 2HO* G 298 69.174 30.406 -28.622 245 H1* G 298 H1* G 298 71.119 28.855 -28.709 246 H8 G 298 H8 G 298 72.179 26.732 -25.916 247 H1 G 298 H1 G 298 68.341 23.574 -30.061 248 1H2 G 298 1H2 G 298 67.453 24.924 -31.341 249 2H2 G 298 2H2 G 298 67.709 26.654 -31.299 250 1H5* C 299 1H5* C 299 67.573 30.697 -26.650 251 2H5* C 299 2H5* C 299 66.086 31.234 -25.867 252 H4* C 299 H4* C 299 65.453 29.860 -27.684 253 H3* C 299 H3* C 299 65.125 28.534 -25.010 254 H2* C 299 H2* C 299 64.233 26.608 -26.034 255 2HO* C 299 2HO* C 299 64.125 27.142 -28.600 256 H1* C 299 H1* C 299 66.172 26.728 -28.160 257 1H4 C 299 1H4 C 299 67.859 21.784 -24.458 258 2H4 C 299 2H4 C 299 68.762 22.896 -23.453 259 H5 C 299 H5 C 299 68.724 25.242 -23.725 260 H6 C 299 H6 C 299 67.800 27.117 -25.039 261 1H5* U 300 1H5* U 300 61.770 28.472 -27.957 262 2H5* U 300 2H5* U 300 60.231 28.617 -27.111 263 H4* U 300 H4* U 300 60.040 26.862 -28.712 264 H3* U 300 H3* U 300 60.161 25.925 -25.856 265 H2* U 300 H2* U 300 59.776 23.701 -26.571 266 2HO* U 300 2HO* U 300 59.395 25.003 -29.115 267 H1* U 300 H1* U 300 61.670 23.790 -28.615 268 H3 U 300 H3 U 300 63.826 21.196 -25.623 269 H5 U 300 H5 U 300 63.899 24.986 -23.843 270 H6 U 300 H6 U 300 62.463 25.763 -25.672 271 1H5* C 301 1H5* C 301 55.939 25.137 -27.088 272 2H5* C 301 2H5* C 301 54.978 24.630 -25.699 273 H4* C 301 H4* C 301 55.588 22.796 -27.271 274 H3* C 301 H3* C 301 56.288 22.669 -24.359 275 H2* C 301 H2* C 301 57.231 20.513 -24.639 276 2HO* C 301 2HO* C 301 55.415 20.546 -26.534 277 H1* C 301 H1* C 301 58.587 21.332 -27.028 278 1H4 C 301 1H4 C 301 63.062 21.018 -22.463 279 2H4 C 301 2H4 C 301 62.659 22.658 -22.006 280 H5 C 301 H5 C 301 60.854 23.874 -22.921 281 H6 C 301 H6 C 301 58.972 23.815 -24.518 282 1H5* U 302 1H5* U 302 54.951 19.418 -24.996 283 2H5* U 302 2H5* U 302 53.493 18.732 -24.283 284 H4* U 302 H4* U 302 54.903 17.130 -23.585 285 H3* U 302 H3* U 302 55.271 19.293 -21.527 286 H2* U 302 H2* U 302 56.872 17.947 -20.407 287 2HO* U 302 2HO* U 302 56.921 15.796 -22.071 288 H1* U 302 H1* U 302 58.233 17.296 -22.786 289 H3 U 302 H3 U 302 61.393 19.981 -21.086 290 H5 U 302 H5 U 302 58.133 22.572 -21.530 291 H6 U 302 H6 U 302 56.813 20.631 -22.240 292 1H5* G 303 1H5* G 303 54.547 15.901 -19.632 293 2H5* G 303 2H5* G 303 53.621 15.825 -18.133 294 H4* G 303 H4* G 303 55.761 15.179 -17.503 295 H3* G 303 H3* G 303 55.399 18.111 -16.876 296 H2* G 303 H2* G 303 57.498 18.105 -15.817 297 2HO* G 303 2HO* G 303 58.323 16.077 -15.126 298 H1* G 303 H1* G 303 58.587 16.318 -17.821 299 H8 G 303 H8 G 303 56.973 19.441 -19.107 300 H1 G 303 H1 G 303 63.209 20.188 -17.545 301 1H2 G 303 1H2 G 303 63.875 18.509 -16.551 302 2H2 G 303 2H2 G 303 62.892 17.107 -16.193 303 1H5* U 304 1H5* U 304 55.362 15.946 -12.951 304 2H5* U 304 2H5* U 304 55.251 17.065 -11.593 305 H4* U 304 H4* U 304 57.549 16.050 -12.276 306 H3* U 304 H3* U 304 57.065 18.932 -11.514 307 H2* U 304 H2* U 304 59.407 19.278 -11.561 308 2HO* U 304 2HO* U 304 60.265 16.796 -12.234 309 H1* U 304 H1* U 304 59.709 17.812 -13.979 310 H3 U 304 H3 U 304 60.924 22.214 -14.658 311 H5 U 304 H5 U 304 56.788 22.047 -15.290 312 H6 U 304 H6 U 304 56.842 19.768 -14.389 313 1H5* A 305 1H5* A 305 59.786 15.233 -8.594 314 2H5* A 305 2H5* A 305 59.041 14.919 -7.027 315 H4* A 305 H4* A 305 60.207 16.838 -6.585 316 H3* A 305 H3* A 305 57.463 17.737 -7.481 317 H2* A 305 H2* A 305 58.093 19.933 -7.091 318 2HO* A 305 2HO* A 305 58.806 19.780 -5.015 319 H1* A 305 H1* A 305 60.925 19.228 -7.613 320 H8 A 305 H8 A 305 57.667 19.899 -9.539 321 1H6 A 305 1H6 A 305 60.960 24.252 -12.565 322 2H6 A 305 2H6 A 305 59.379 23.519 -12.417 323 H2 A 305 H2 A 305 63.656 22.233 -9.666 324 1H5* U 306 1H5* U 306 54.122 16.913 -3.910 325 2H5* U 306 2H5* U 306 53.988 18.386 -4.869 326 H4* U 306 H4* U 306 53.366 18.234 -2.260 327 H3* U 306 H3* U 306 54.350 20.576 -3.878 328 H2* U 306 H2* U 306 54.456 21.886 -1.979 329 2HO* U 306 2HO* U 306 52.433 21.690 -1.172 330 H1* U 306 H1* U 306 54.806 19.446 -0.309 331 H3 U 306 H3 U 306 58.400 21.056 1.785 332 H5 U 306 H5 U 306 58.629 22.960 -1.938 333 H6 U 306 H6 U 306 56.612 21.725 -2.584 334 1H5* C 307 1H5* C 307 50.544 20.524 -0.926 335 2H5* C 307 2H5* C 307 49.585 20.613 -2.404 336 H4* C 307 H4* C 307 48.896 21.639 0.061 337 H3* C 307 H3* C 307 47.827 21.968 -2.706 338 H2* C 307 H2* C 307 46.429 23.771 -2.049 339 2HO* C 307 2HO* C 307 45.972 23.957 0.121 340 H1* C 307 H1* C 307 48.479 25.135 -0.723 341 1H4 C 307 1H4 C 307 48.238 27.472 -6.696 342 2H4 C 307 2H4 C 307 49.560 26.400 -7.100 343 H5 C 307 H5 C 307 50.411 24.752 -5.638 344 H6 C 307 H6 C 307 50.201 23.717 -3.405 345 1H5* U 308 1H5* U 308 43.841 18.937 -1.557 346 2H5* U 308 2H5* U 308 42.730 19.539 -0.327 347 H4* U 308 H4* U 308 43.575 17.193 0.002 348 H3* U 308 H3* U 308 43.875 19.285 2.154 349 H2* U 308 H2* U 308 44.925 17.754 3.507 350 2HO* U 308 2HO* U 308 42.958 16.487 3.305 351 H1* U 308 H1* U 308 45.554 16.090 1.089 352 H3 U 308 H3 U 308 49.824 15.389 2.182 353 H5 U 308 H5 U 308 48.943 18.911 4.270 354 H6 U 308 H6 U 308 46.710 18.833 3.262 355 1H5* G 309 1H5* G 309 42.250 18.133 6.132 356 2H5* G 309 2H5* G 309 40.666 18.367 5.394 357 H4* G 309 H4* G 309 40.745 19.989 7.051 358 H3* G 309 H3* G 309 41.427 21.185 4.384 359 H2* G 309 H2* G 309 41.663 23.326 5.367 360 2HO* G 309 2HO* G 309 40.110 23.450 6.893 361 H1* G 309 H1* G 309 43.141 22.234 7.571 362 H8 G 309 H8 G 309 43.448 22.163 3.740 363 H1 G 309 H1 G 309 48.389 24.898 6.900 364 1H2 G 309 1H2 G 309 48.053 24.788 8.931 365 2H2 G 309 2H2 G 309 46.642 24.061 9.669 366 1H5* G 310 1H5* G 310 41.744 22.944 2.790 367 2H5* G 310 2H5* G 310 40.477 24.111 3.169 368 H4* G 310 H4* G 310 41.532 23.642 0.687 369 H3* G 310 H3* G 310 38.948 24.920 1.562 370 H2* G 310 H2* G 310 38.401 25.291 -0.723 371 2HO* G 310 2HO* G 310 40.700 25.743 -1.125 372 H1* G 310 H1* G 310 39.089 22.650 -1.449 373 H8 G 310 H8 G 310 37.268 22.201 1.654 374 H1 G 310 H1 G 310 33.299 23.831 -3.191 375 1H2 G 310 1H2 G 310 34.407 24.522 -4.786 376 2H2 G 310 2H2 G 310 36.153 24.641 -4.809 377 1H5* C 311 1H5* C 311 41.047 27.658 -0.703 378 2H5* C 311 2H5* C 311 41.154 29.340 -0.182 379 H4* C 311 H4* C 311 40.202 29.409 -2.321 380 H3* C 311 H3* C 311 38.117 29.759 -0.179 381 H2* C 311 H2* C 311 36.486 30.171 -1.860 382 2HO* C 311 2HO* C 311 38.063 31.343 -3.132 383 H1* C 311 H1* C 311 37.299 27.933 -3.379 384 1H4 C 311 1H4 C 311 32.204 26.064 0.030 385 2H4 C 311 2H4 C 311 33.300 25.520 1.281 386 H5 C 311 H5 C 311 35.629 25.905 1.246 387 H6 C 311 H6 C 311 37.500 26.916 -0.009 388 1H5* G 312 1H5* G 312 37.584 33.979 -2.797 389 2H5* G 312 2H5* G 312 36.477 34.619 -1.585 390 H4* G 312 H4* G 312 35.776 33.979 -4.117 391 H3* G 312 H3* G 312 34.178 34.200 -1.595 392 H2* G 312 H2* G 312 32.224 33.433 -2.707 393 2HO* G 312 2HO* G 312 32.974 34.632 -4.632 394 H1* G 312 H1* G 312 33.422 31.207 -3.807 395 H8 G 312 H8 G 312 35.287 31.279 -0.737 396 H1 G 312 H1 G 312 29.097 29.752 0.382 397 1H2 G 312 1H2 G 312 27.967 30.197 -1.284 398 2H2 G 312 2H2 G 312 28.601 30.881 -2.764 399 1H5* G 313 1H5* G 313 31.044 34.901 -4.683 400 2H5* G 313 2H5* G 313 30.741 36.589 -4.273 401 H4* G 313 H4* G 313 28.660 35.419 -4.260 402 H3* G 313 H3* G 313 29.667 36.221 -1.542 403 H2* G 313 H2* G 313 27.652 35.431 -0.568 404 2HO* G 313 2HO* G 313 26.323 34.469 -2.682 405 H1* G 313 H1* G 313 27.702 32.996 -1.922 406 H8 G 313 H8 G 313 31.145 34.166 -0.953 407 H1 G 313 H1 G 313 28.079 30.858 3.687 408 1H2 G 313 1H2 G 313 26.116 30.551 3.133 409 2H2 G 313 2H2 G 313 25.406 31.109 1.635 410 1H5* A 314 1H5* A 314 25.884 37.310 -2.678 411 2H5* A 314 2H5* A 314 25.074 38.759 -2.082 412 H4* A 314 H4* A 314 23.675 36.888 -1.619 413 H3* A 314 H3* A 314 25.006 38.077 0.798 414 H2* A 314 H2* A 314 23.797 36.580 2.200 415 2HO* A 314 2HO* A 314 21.985 36.824 0.611 416 H1* A 314 H1* A 314 24.485 34.327 0.738 417 H8 A 314 H8 A 314 27.253 36.876 0.759 418 1H6 A 314 1H6 A 314 29.273 34.100 5.971 419 2H6 A 314 2H6 A 314 29.665 35.302 4.762 420 H2 A 314 H2 A 314 25.321 32.365 4.913 421 1H5* C 315 1H5* C 315 21.750 36.547 2.539 422 2H5* C 315 2H5* C 315 20.837 37.957 3.080 423 H4* C 315 H4* C 315 21.392 36.239 4.842 424 H3* C 315 H3* C 315 21.171 38.961 5.161 425 H2* C 315 H2* C 315 23.471 39.448 5.243 426 2HO* C 315 2HO* C 315 22.741 40.103 7.224 427 H1* C 315 H1* C 315 24.086 36.955 6.839 428 1H4 C 315 1H4 C 315 29.875 37.690 4.328 429 2H4 C 315 2H4 C 315 29.221 38.599 2.984 430 H5 C 315 H5 C 315 26.920 39.042 2.690 431 H6 C 315 H6 C 315 24.657 38.718 3.624 432 1H5* C 316 1H5* C 316 20.802 35.298 6.468 433 2H5* C 316 2H5* C 316 19.453 35.172 5.341 434 H4* C 316 H4* C 316 18.237 33.794 7.024 435 H3* C 316 H3* C 316 20.653 34.328 8.674 436 H2* C 316 H2* C 316 20.761 32.081 9.452 437 2HO* C 316 2HO* C 316 18.965 30.697 8.882 438 H1* C 316 H1* C 316 20.663 30.971 6.921 439 1H4 C 316 1H4 C 316 26.932 31.787 7.612 440 2H4 C 316 2H4 C 316 26.733 33.525 7.654 441 H5 C 316 H5 C 316 24.637 34.611 7.566 442 H6 C 316 H6 C 316 22.193 34.294 7.414 443 1H5* C 317 1H5* C 317 17.775 32.317 11.085 444 2H5* C 317 2H5* C 317 17.819 32.765 12.790 445 H4* C 317 H4* C 317 18.270 30.414 12.561 446 H3* C 317 H3* C 317 20.597 32.105 13.446 447 H2* C 317 H2* C 317 21.888 30.138 13.768 448 2HO* C 317 2HO* C 317 20.117 28.251 12.961 449 H1* C 317 H1* C 317 21.185 29.043 11.288 450 1H4 C 317 1H4 C 317 26.693 32.019 10.083 451 2H4 C 317 2H4 C 317 25.864 33.560 10.076 452 H5 C 317 H5 C 317 23.576 33.825 10.598 453 H6 C 317 H6 C 317 21.500 32.665 11.263 454 1H5* G 318 1H5* G 318 20.234 29.066 15.864 455 2H5* G 318 2H5* G 318 19.821 29.383 17.548 456 H4* G 318 H4* G 318 21.501 27.841 17.778 457 H3* G 318 H3* G 318 22.716 30.579 17.951 458 H2* G 318 H2* G 318 24.868 29.635 18.276 459 2HO* G 318 2HO* G 318 24.505 27.874 19.525 460 H1* G 318 H1* G 318 24.676 27.863 16.152 461 H8 G 318 H8 G 318 22.940 31.192 15.622 462 H1 G 318 H1 G 318 29.128 31.043 13.732 463 1H2 G 318 1H2 G 318 29.984 29.261 14.316 464 2H2 G 318 2H2 G 318 29.149 27.993 15.187 465 1H5* U 319 1H5* U 319 23.950 29.432 20.854 466 2H5* U 319 2H5* U 319 24.235 30.112 22.456 467 H4* U 319 H4* U 319 25.220 30.967 19.853 468 H3* U 319 H3* U 319 26.030 31.336 22.727 469 H2* U 319 H2* U 319 27.506 33.089 22.066 470 2HO* U 319 2HO* U 319 26.992 31.756 19.690 471 H1* U 319 H1* U 319 25.487 34.325 20.512 472 H3 U 319 H3 U 319 25.537 37.487 23.673 473 H5 U 319 H5 U 319 24.692 34.028 25.877 474 H6 U 319 H6 U 319 24.934 32.760 23.793 475 1H5* G 320 1H5* G 320 27.353 29.249 19.453 476 2H5* G 320 2H5* G 320 26.637 27.716 18.955 477 H4* G 320 H4* G 320 28.804 26.656 19.920 478 H3* G 320 H3* G 320 29.503 29.512 20.103 479 H2* G 320 H2* G 320 31.540 29.321 18.910 480 2HO* G 320 2HO* G 320 30.855 26.525 19.005 481 H1* G 320 H1* G 320 30.502 28.036 16.737 482 H8 G 320 H8 G 320 27.562 29.939 17.657 483 H1 G 320 H1 G 320 32.190 33.777 15.263 484 1H2 G 320 1H2 G 320 33.974 32.746 15.199 485 2H2 G 320 2H2 G 320 34.186 31.089 15.717 486 1H5* G 321 1H5* G 321 33.288 27.437 20.632 487 2H5* G 321 2H5* G 321 33.930 28.063 22.150 488 H4* G 321 H4* G 321 35.587 28.268 20.415 489 H3* G 321 H3* G 321 34.439 30.818 21.497 490 H2* G 321 H2* G 321 35.870 32.100 20.102 491 2HO* G 321 2HO* G 321 36.928 29.492 19.487 492 H1* G 321 H1* G 321 35.273 30.476 17.837 493 H8 G 321 H8 G 321 32.055 31.190 19.377 494 H1 G 321 H1 G 321 34.407 36.354 16.265 495 1H2 G 321 1H2 G 321 36.395 36.041 15.815 496 2H2 G 321 2H2 G 321 37.290 34.594 16.220 497 1H5* U 322 1H5* U 322 38.592 31.223 23.214 498 2H5* U 322 2H5* U 322 38.437 32.473 24.449 499 H4* U 322 H4* U 322 39.562 33.108 22.252 500 H3* U 322 H3* U 322 37.377 34.706 23.556 501 H2* U 322 H2* U 322 37.512 36.334 21.856 502 2HO* U 322 2HO* U 322 39.888 36.053 21.963 503 H1* U 322 H1* U 322 37.809 34.290 19.834 504 H3 U 322 H3 U 322 34.194 36.782 18.554 505 H5 U 322 H5 U 322 32.774 34.329 21.637 506 H6 U 322 H6 U 322 35.098 33.659 22.041 507 1H5* G 323 1H5* G 323 41.052 37.615 23.805 508 2H5* G 323 2H5* G 323 40.928 38.093 25.498 509 H4* G 323 H4* G 323 41.073 40.097 24.287 510 H3* G 323 H3* G 323 38.281 39.507 25.202 511 H2* G 323 H2* G 323 37.509 41.556 24.262 512 2HO* G 323 2HO* G 323 39.720 42.483 23.062 513 H1* G 323 H1* G 323 38.642 41.089 21.783 514 H8 G 323 H8 G 323 37.621 37.787 23.146 515 H1 G 323 H1 G 323 32.698 41.112 20.577 516 1H2 G 323 1H2 G 323 33.298 43.048 20.199 517 2H2 G 323 2H2 G 323 34.897 43.678 20.529 518 1H5* G 324 1H5* G 324 36.165 42.069 28.159 519 2H5* G 324 2H5* G 324 35.506 40.647 27.350 520 H4* G 324 H4* G 324 35.361 42.647 25.418 521 H3* G 324 H3* G 324 35.190 43.917 28.065 522 H2* G 324 H2* G 324 33.048 44.853 27.760 523 2HO* G 324 2HO* G 324 33.373 43.850 25.077 524 H1* G 324 H1* G 324 31.769 42.623 26.928 525 H8 G 324 H8 G 324 34.184 40.797 28.824 526 H1 G 324 H1 G 324 30.408 44.281 32.760 527 1H2 G 324 1H2 G 324 29.381 45.690 31.660 528 2H2 G 324 2H2 G 324 29.523 45.898 29.928 529 1H5* A 325 1H5* A 325 34.132 47.057 25.883 530 2H5* A 325 2H5* A 325 35.305 48.375 25.903 531 H4* A 325 H4* A 325 33.364 49.432 26.552 532 H3* A 325 H3* A 325 34.932 48.670 28.992 533 H2* A 325 H2* A 325 33.281 49.630 30.396 534 2HO* A 325 2HO* A 325 32.251 51.306 29.474 535 H1* A 325 H1* A 325 31.148 48.385 29.091 536 H8 A 325 H8 A 325 33.854 45.894 29.126 537 1H6 A 325 1H6 A 325 32.245 44.528 34.999 538 2H6 A 325 2H6 A 325 33.212 44.009 33.637 539 H2 A 325 H2 A 325 30.125 48.247 33.806 540 1H5* A 326 1H5* A 326 35.670 53.344 29.723 541 2H5* A 326 2H5* A 326 36.732 53.064 31.103 542 H4* A 326 H4* A 326 34.303 54.025 31.409 543 H3* A 326 H3* A 326 35.845 52.179 33.178 544 H2* A 326 H2* A 326 33.997 51.942 34.666 545 2HO* A 326 2HO* A 326 33.466 54.235 34.124 546 H1* A 326 H1* A 326 32.209 51.285 32.643 547 H8 A 326 H8 A 326 35.034 49.560 31.313 548 1H6 A 326 1H6 A 326 34.510 45.235 35.781 549 2H6 A 326 2H6 A 326 35.263 45.602 34.245 550 H2 A 326 H2 A 326 32.018 48.729 36.931 551 1H5* C 327 1H5* C 327 34.365 54.967 36.098 552 2H5* C 327 2H5* C 327 35.714 55.356 37.166 553 H4* C 327 H4* C 327 33.842 54.400 38.398 554 H3* C 327 H3* C 327 36.425 52.871 38.330 555 H2* C 327 H2* C 327 35.517 51.251 39.821 556 2HO* C 327 2HO* C 327 34.343 53.027 40.896 557 H1* C 327 H1* C 327 33.202 50.886 38.326 558 1H4 C 327 1H4 C 327 37.436 46.556 36.207 559 2H4 C 327 2H4 C 327 37.824 47.660 34.907 560 H5 C 327 H5 C 327 36.990 49.865 34.757 561 H6 C 327 H6 C 327 35.562 51.570 35.829 562 1H5* U 328 1H5* U 328 35.432 53.316 42.545 563 2H5* U 328 2H5* U 328 36.905 53.753 43.409 564 H4* U 328 H4* U 328 35.788 51.775 44.353 565 H3* U 328 H3* U 328 38.582 51.511 43.274 566 H2* U 328 H2* U 328 38.666 49.267 44.070 567 2HO* U 328 2HO* U 328 36.007 49.342 44.982 568 H1* U 328 H1* U 328 36.216 48.590 42.911 569 H3 U 328 H3 U 328 39.970 46.743 40.796 570 H5 U 328 H5 U 328 38.776 50.094 38.587 571 H6 U 328 H6 U 328 37.294 50.674 40.452 572 1H5* G 329 1H5* G 329 40.239 50.958 47.378 573 2H5* G 329 2H5* G 329 41.792 51.748 47.105 574 H4* G 329 H4* G 329 41.789 49.218 47.399 575 H3* G 329 H3* G 329 43.174 50.617 45.117 576 H2* G 329 H2* G 329 44.125 48.532 44.472 577 2HO* G 329 2HO* G 329 44.335 47.065 46.080 578 H1* G 329 H1* G 329 41.635 47.206 44.677 579 H8 G 329 H8 G 329 40.896 50.377 43.025 580 H1 G 329 H1 G 329 43.804 46.196 39.031 581 1H2 G 329 1H2 G 329 44.580 44.628 40.122 582 2H2 G 329 2H2 G 329 44.461 44.470 41.860 583 1H5* U 330 1H5* U 330 45.089 52.054 44.027 584 2H5* U 330 2H5* U 330 44.737 50.328 43.966 585 H4* U 330 H4* U 330 46.475 51.480 42.331 586 H3* U 330 H3* U 330 45.883 48.882 42.775 587 H2* U 330 H2* U 330 47.391 48.435 44.522 588 2HO* U 330 2HO* U 330 48.481 47.022 43.279 589 H1* U 330 H1* U 330 49.634 50.029 43.315 590 H3 U 330 H3 U 330 51.569 51.254 47.182 591 H5 U 330 H5 U 330 47.918 49.627 48.433 592 H6 U 330 H6 U 330 47.319 49.405 46.066 593 1H5* G 331 1H5* G 331 49.188 47.051 40.316 594 2H5* G 331 2H5* G 331 48.138 46.150 39.222 595 H4* G 331 H4* G 331 49.528 44.627 40.471 596 H3* G 331 H3* G 331 46.585 44.557 41.037 597 H2* G 331 H2* G 331 46.878 42.789 42.587 598 2HO* G 331 2HO* G 331 48.958 41.744 42.601 599 H1* G 331 H1* G 331 49.096 44.061 43.821 600 H8 G 331 H8 G 331 46.259 46.401 43.123 601 H1 G 331 H1 G 331 45.647 43.160 48.691 602 1H2 G 331 1H2 G 331 47.083 41.684 48.790 603 2H2 G 331 2H2 G 331 48.277 41.371 47.549 604 1H5* A 332 1H5* A 332 47.216 41.194 37.509 605 2H5* A 332 2H5* A 332 45.585 40.565 37.283 606 H4* A 332 H4* A 332 47.152 39.120 38.620 607 H3* A 332 H3* A 332 44.438 39.937 39.599 608 H2* A 332 H2* A 332 44.732 38.640 41.578 609 2HO* A 332 2HO* A 332 47.342 37.965 40.622 610 H1* A 332 H1* A 332 47.234 39.754 42.132 611 H8 A 332 H8 A 332 44.834 42.262 40.690 612 1H6 A 332 1H6 A 332 43.036 43.379 46.562 613 2H6 A 332 2H6 A 332 42.884 43.920 44.906 614 H2 A 332 H2 A 332 45.744 39.856 46.583 615 1H5* A 333 1H5* A 333 43.425 37.412 40.548 616 2H5* A 333 2H5* A 333 42.384 36.260 39.713 617 H4* A 333 H4* A 333 41.093 36.739 41.532 618 H3* A 333 H3* A 333 40.303 38.611 39.335 619 H2* A 333 H2* A 333 38.752 39.717 40.740 620 2HO* A 333 2HO* A 333 38.834 38.570 43.052 621 H1* A 333 H1* A 333 40.485 40.085 42.844 622 H8 A 333 H8 A 333 42.502 40.183 39.709 623 1H6 A 333 1H6 A 333 41.006 46.227 39.294 624 2H6 A 333 2H6 A 333 42.021 44.969 38.626 625 H2 A 333 H2 A 333 38.556 44.408 42.524 626 1H5* G 334 1H5* G 334 36.640 37.208 41.899 627 2H5* G 334 2H5* G 334 35.288 37.732 40.896 628 H4* G 334 H4* G 334 35.894 38.858 43.240 629 H3* G 334 H3* G 334 34.606 40.035 40.800 630 H2* G 334 H2* G 334 34.479 42.161 41.862 631 2HO* G 334 2HO* G 334 34.257 41.957 44.009 632 H1* G 334 H1* G 334 37.141 42.192 42.611 633 H8 G 334 H8 G 334 37.529 40.492 39.473 634 H1 G 334 H1 G 334 35.758 46.645 38.533 635 1H2 G 334 1H2 G 334 35.070 47.443 40.306 636 2H2 G 334 2H2 G 334 34.985 46.573 41.822 637 1H5* U 335 1H5* U 335 32.295 41.605 44.051 638 2H5* U 335 2H5* U 335 30.607 41.600 43.542 639 H4* U 335 H4* U 335 31.497 43.843 44.147 640 H3* U 335 H3* U 335 30.323 43.328 41.429 641 H2* U 335 H2* U 335 30.577 45.621 40.875 642 2HO* U 335 2HO* U 335 31.364 45.775 43.642 643 H1* U 335 H1* U 335 33.218 45.761 41.750 644 H3 U 335 H3 U 335 32.971 45.853 37.123 645 H5 U 335 H5 U 335 33.472 41.838 38.204 646 H6 U 335 H6 U 335 33.070 42.516 40.526 647 1H5* U 336 1H5* U 336 27.676 46.305 43.081 648 2H5* U 336 2H5* U 336 26.018 46.065 42.528 649 H4* U 336 H4* U 336 26.794 48.179 41.728 650 H3* U 336 H3* U 336 26.409 46.055 39.654 651 H2* U 336 H2* U 336 27.065 47.543 37.925 652 2HO* U 336 2HO* U 336 27.077 49.417 40.112 653 H1* U 336 H1* U 336 29.344 48.423 39.331 654 H3 U 336 H3 U 336 30.934 46.076 35.755 655 H5 U 336 H5 U 336 29.846 43.148 38.544 656 H6 U 336 H6 U 336 28.832 44.938 39.880 657 1H5* C 337 1H5* C 337 24.516 49.350 37.850 658 2H5* C 337 2H5* C 337 23.109 48.769 36.960 659 H4* C 337 H4* C 337 24.871 49.809 35.544 660 H3* C 337 H3* C 337 23.967 46.983 35.048 661 H2* C 337 H2* C 337 25.401 46.810 33.209 662 2HO* C 337 2HO* C 337 26.319 48.968 32.473 663 H1* C 337 H1* C 337 27.399 48.475 34.550 664 1H4 C 337 1H4 C 337 30.084 42.712 33.762 665 2H4 C 337 2H4 C 337 29.324 42.205 35.254 666 H5 C 337 H5 C 337 27.773 43.520 36.454 667 H6 C 337 H6 C 337 26.557 45.669 36.519 668 1H5* G 338 1H5* G 338 22.520 48.550 31.458 669 2H5* G 338 2H5* G 338 20.993 47.782 31.021 670 H4* G 338 H4* G 338 22.637 47.010 29.496 671 H3* G 338 H3* G 338 21.813 44.960 31.532 672 H2* G 338 H2* G 338 23.223 43.357 30.534 673 2HO* G 338 2HO* G 338 22.487 44.263 28.428 674 H1* G 338 H1* G 338 25.283 45.359 30.126 675 H8 G 338 H8 G 338 24.249 45.247 33.657 676 H1 G 338 H1 G 338 28.381 40.503 32.140 677 1H2 G 338 1H2 G 338 28.578 40.390 30.090 678 2H2 G 338 2H2 G 338 27.747 41.427 28.952 679 1H5* G 339 1H5* G 339 22.218 42.342 28.834 680 2H5* G 339 2H5* G 339 20.775 41.329 28.838 681 H4* G 339 H4* G 339 22.980 40.273 29.570 682 H3* G 339 H3* G 339 20.360 39.999 30.964 683 H2* G 339 H2* G 339 21.374 39.465 32.929 684 2HO* G 339 2HO* G 339 22.926 37.569 32.557 685 H1* G 339 H1* G 339 24.047 39.676 31.454 686 H8 G 339 H8 G 339 25.879 39.896 33.150 687 H1 G 339 H1 G 339 21.857 42.054 37.738 688 1H2 G 339 1H2 G 339 19.955 42.228 36.960 689 2H2 G 339 2H2 G 339 19.515 41.847 35.310 690 1H5* A 340 1H5* A 340 21.325 38.218 26.941 691 2H5* A 340 2H5* A 340 22.876 38.148 26.106 692 H4* A 340 H4* A 340 20.989 40.033 25.674 693 H3* A 340 H3* A 340 23.960 40.067 25.253 694 H2* A 340 H2* A 340 23.845 42.327 24.511 695 2HO* A 340 2HO* A 340 21.732 43.195 24.135 696 H1* A 340 H1* A 340 22.260 43.085 26.730 697 H8 A 340 H8 A 340 24.760 40.985 28.264 698 1H6 A 340 1H6 A 340 28.880 45.647 27.772 699 2H6 A 340 2H6 A 340 28.578 44.095 28.522 700 H2 A 340 H2 A 340 25.353 46.637 25.259 701 1H5* A 341 1H5* A 341 22.005 42.217 22.190 702 2H5* A 341 2H5* A 341 22.782 41.920 20.634 703 H4* A 341 H4* A 341 22.692 44.304 21.204 704 H3* A 341 H3* A 341 25.396 43.008 20.904 705 H2* A 341 H2* A 341 26.410 45.143 21.102 706 2HO* A 341 2HO* A 341 24.618 46.031 19.819 707 H1* A 341 H1* A 341 24.837 45.876 23.318 708 H8 A 341 H8 A 341 25.850 42.318 23.652 709 1H6 A 341 1H6 A 341 31.188 44.360 26.162 710 2H6 A 341 2H6 A 341 30.214 42.938 25.866 711 H2 A 341 H2 A 341 29.019 47.853 24.473 712 1H5* C 342 1H5* C 342 25.436 45.640 18.046 713 2H5* C 342 2H5* C 342 25.959 45.247 16.409 714 H4* C 342 H4* C 342 27.454 46.861 17.426 715 H3* C 342 H3* C 342 28.558 44.145 16.792 716 H2* C 342 H2* C 342 30.720 44.827 17.518 717 2HO* C 342 2HO* C 342 30.669 46.934 16.760 718 H1* C 342 H1* C 342 29.825 45.827 19.942 719 1H4 C 342 1H4 C 342 31.266 39.640 20.893 720 2H4 C 342 2H4 C 342 29.551 39.301 20.802 721 H5 C 342 H5 C 342 27.924 40.903 20.198 722 H6 C 342 H6 C 342 27.537 43.248 19.527 723 1H5* A 343 1H5* A 343 31.289 46.486 14.915 724 2H5* A 343 2H5* A 343 31.658 45.944 13.279 725 H4* A 343 H4* A 343 33.649 45.916 14.655 726 H3* A 343 H3* A 343 32.608 43.259 13.712 727 H2* A 343 H2* A 343 34.495 42.178 14.666 728 2HO* A 343 2HO* A 343 35.788 44.235 15.812 729 H1* A 343 H1* A 343 34.254 43.479 17.120 730 H8 A 343 H8 A 343 30.852 42.768 15.769 731 1H6 A 343 1H6 A 343 31.328 37.116 18.373 732 2H6 A 343 2H6 A 343 30.229 38.224 17.581 733 H2 A 343 H2 A 343 35.297 39.098 18.618 734 1H5* C 344 1H5* C 344 36.542 43.509 11.587 735 2H5* C 344 2H5* C 344 36.367 42.599 10.087 736 H4* C 344 H4* C 344 38.058 41.605 11.518 737 H3* C 344 H3* C 344 35.580 40.004 10.966 738 H2* C 344 H2* C 344 36.487 38.161 12.169 739 2HO* C 344 2HO* C 344 38.629 38.752 11.324 740 H1* C 344 H1* C 344 37.200 39.767 14.366 741 1H4 C 344 1H4 C 344 31.554 37.280 16.004 742 2H4 C 344 2H4 C 344 30.747 38.477 15.015 743 H5 C 344 H5 C 344 31.880 40.022 13.633 744 H6 C 344 H6 C 344 34.087 40.807 12.853 745 1H5* C 345 1H5* C 345 38.840 37.183 9.350 746 2H5* C 345 2H5* C 345 37.868 35.941 8.562 747 H4* C 345 H4* C 345 39.143 35.471 10.816 748 H3* C 345 H3* C 345 36.412 34.462 10.027 749 H2* C 345 H2* C 345 36.372 33.156 12.006 750 2HO* C 345 2HO* C 345 38.377 32.887 13.125 751 H1* C 345 H1* C 345 37.346 35.291 13.598 752 1H4 C 345 1H4 C 345 30.981 34.974 14.419 753 2H4 C 345 2H4 C 345 30.841 36.267 13.248 754 H5 C 345 H5 C 345 32.654 37.101 11.986 755 H6 C 345 H6 C 345 35.072 36.899 11.532 756 1H5* C 346 1H5* C 346 38.020 31.256 11.951 757 2H5* C 346 2H5* C 346 38.079 29.960 10.755 758 H4* C 346 H4* C 346 36.991 29.061 12.635 759 H3* C 346 H3* C 346 35.058 29.754 10.436 760 H2* C 346 H2* C 346 33.285 28.842 11.699 761 2HO* C 346 2HO* C 346 34.788 27.096 12.331 762 H1* C 346 H1* C 346 34.327 30.026 14.120 763 1H4 C 346 1H4 C 346 28.987 33.228 12.570 764 2H4 C 346 2H4 C 346 29.992 34.347 11.675 765 H5 C 346 H5 C 346 32.303 34.035 11.307 766 H6 C 346 H6 C 346 34.241 32.558 11.711 767 1H5* G 347 1H5* G 347 35.257 25.300 10.844 768 2H5* G 347 2H5* G 347 34.716 24.445 9.400 769 H4* G 347 H4* G 347 33.342 23.943 11.374 770 H3* G 347 H3* G 347 32.056 25.243 8.988 771 H2* G 347 H2* G 347 29.928 25.049 10.034 772 2HO* G 347 2HO* G 347 30.645 24.002 12.424 773 H1* G 347 H1* G 347 30.883 26.102 12.471 774 H8 G 347 H8 G 347 32.445 28.249 10.007 775 H1 G 347 H1 G 347 26.101 29.440 10.481 776 1H2 G 347 1H2 G 347 25.189 27.911 11.521 777 2H2 G 347 2H2 G 347 26.019 26.514 12.168 778 1H5* G 348 1H5* G 348 30.479 20.991 8.303 779 2H5* G 348 2H5* G 348 29.750 21.087 6.699 780 H4* G 348 H4* G 348 28.206 21.159 8.739 781 H3* G 348 H3* G 348 28.046 23.099 6.437 782 H2* G 348 H2* G 348 26.053 23.993 7.382 783 2HO* G 348 2HO* G 348 25.443 21.813 8.064 784 H1* G 348 H1* G 348 27.209 24.180 9.951 785 H8 G 348 H8 G 348 29.910 25.396 7.933 786 H1 G 348 H1 G 348 25.009 29.622 7.956 787 1H2 G 348 1H2 G 348 23.313 28.705 8.686 788 2H2 G 348 2H2 G 348 23.230 27.039 9.215 789 1H5* C 349 1H5* C 349 24.106 23.352 6.959 790 2H5* C 349 2H5* C 349 23.513 22.567 5.495 791 H4* C 349 H4* C 349 22.616 24.730 5.451 792 H3* C 349 H3* C 349 24.968 24.460 3.601 793 H2* C 349 H2* C 349 24.704 26.688 2.891 794 2HO* C 349 2HO* C 349 22.249 26.470 4.382 795 H1* C 349 H1* C 349 24.101 27.554 5.583 796 1H4 C 349 1H4 C 349 29.878 29.947 4.233 797 2H4 C 349 2H4 C 349 30.585 28.409 4.673 798 H5 C 349 H5 C 349 29.323 26.485 5.207 799 H6 C 349 H6 C 349 27.048 25.555 5.453 800 1H5* C 350 1H5* C 350 21.499 24.736 0.632 801 2H5* C 350 2H5* C 350 22.074 24.017 -0.871 802 H4* C 350 H4* C 350 21.625 26.474 -0.970 803 H3* C 350 H3* C 350 24.273 25.302 -1.744 804 H2* C 350 H2* C 350 25.091 27.448 -2.343 805 2HO* C 350 2HO* C 350 22.362 28.176 -1.780 806 H1* C 350 H1* C 350 24.083 28.606 0.058 807 1H4 C 350 1H4 C 350 30.351 27.850 1.053 808 2H4 C 350 2H4 C 350 30.060 26.180 1.485 809 H5 C 350 H5 C 350 27.955 25.124 1.310 810 H6 C 350 H6 C 350 25.588 25.412 0.670 811 1H5* G 351 1H5* G 351 23.349 27.144 -5.535 812 2H5* G 351 2H5* G 351 23.329 25.839 -6.723 813 H4* G 351 H4* G 351 24.861 27.396 -7.558 814 H3* G 351 H3* G 351 26.221 25.054 -6.274 815 H2* G 351 H2* G 351 28.356 25.950 -6.807 816 2HO* G 351 2HO* G 351 27.455 26.739 -8.850 817 H1* G 351 H1* G 351 27.760 28.486 -5.803 818 H8 G 351 H8 G 351 26.301 25.572 -3.871 819 H1 G 351 H1 G 351 32.182 27.431 -1.909 820 1H2 G 351 1H2 G 351 32.928 28.840 -3.215 821 2H2 G 351 2H2 G 351 32.088 29.432 -4.631 822 1H5* C 352 1H5* C 352 27.756 25.158 -10.259 823 2H5* C 352 2H5* C 352 28.220 23.567 -10.861 824 H4* C 352 H4* C 352 30.130 25.100 -10.620 825 H3* C 352 H3* C 352 30.068 22.536 -9.065 826 H2* C 352 H2* C 352 32.216 22.988 -8.169 827 2HO* C 352 2HO* C 352 32.120 25.288 -9.901 828 H1* C 352 H1* C 352 31.509 25.695 -7.597 829 1H4 C 352 1H4 C 352 31.252 22.725 -1.952 830 2H4 C 352 2H4 C 352 29.690 22.063 -2.383 831 H5 C 352 H5 C 352 28.688 22.332 -4.504 832 H6 C 352 H6 C 352 28.939 23.310 -6.757 833 1H5* A 353 1H5* A 353 32.868 21.910 -12.588 834 2H5* A 353 2H5* A 353 32.569 20.390 -13.431 835 H4* A 353 H4* A 353 34.781 20.253 -12.675 836 H3* A 353 H3* A 353 32.883 18.636 -11.035 837 H2* A 353 H2* A 353 34.616 17.939 -9.564 838 2HO* A 353 2HO* A 353 36.705 19.352 -10.540 839 H1* A 353 H1* A 353 35.569 20.533 -9.156 840 H8 A 353 H8 A 353 31.817 19.893 -9.479 841 1H6 A 353 1H6 A 353 31.746 19.975 -3.239 842 2H6 A 353 2H6 A 353 30.741 19.870 -4.666 843 H2 A 353 H2 A 353 35.967 20.313 -4.585 844 1H5* A 354 1H5* A 354 36.616 16.541 -11.628 845 2H5* A 354 2H5* A 354 36.275 14.866 -12.060 846 H4* A 354 H4* A 354 37.834 14.885 -10.250 847 H3* A 354 H3* A 354 35.084 13.900 -9.611 848 H2* A 354 H2* A 354 35.680 13.500 -7.345 849 2HO* A 354 2HO* A 354 37.839 12.850 -8.118 850 H1* A 354 H1* A 354 36.840 16.040 -7.034 851 H8 A 354 H8 A 354 33.723 16.215 -9.092 852 1H6 A 354 1H6 A 354 30.593 16.757 -3.719 853 2H6 A 354 2H6 A 354 30.448 16.850 -5.460 854 H2 A 354 H2 A 354 34.815 15.745 -2.773 855 1H5* C 355 1H5* C 355 37.725 10.554 -8.054 856 2H5* C 355 2H5* C 355 36.848 9.114 -8.573 857 H4* C 355 H4* C 355 37.216 9.044 -6.191 858 H3* C 355 H3* C 355 34.376 9.357 -7.109 859 H2* C 355 H2* C 355 33.617 9.243 -4.859 860 2HO* C 355 2HO* C 355 35.306 7.647 -4.417 861 H1* C 355 H1* C 355 35.551 11.112 -3.982 862 1H4 C 355 1H4 C 355 30.161 14.472 -4.707 863 2H4 C 355 2H4 C 355 30.533 14.658 -6.406 864 H5 C 355 H5 C 355 32.351 13.598 -7.479 865 H6 C 355 H6 C 355 34.278 12.083 -7.182 866 1H5* C 356 1H5* C 356 34.865 5.778 -4.967 867 2H5* C 356 2H5* C 356 33.794 4.404 -5.243 868 H4* C 356 H4* C 356 33.474 5.250 -3.012 869 H3* C 356 H3* C 356 31.173 5.707 -4.905 870 H2* C 356 H2* C 356 29.876 6.494 -3.076 871 2HO* C 356 2HO* C 356 31.150 6.343 -0.933 872 H1* C 356 H1* C 356 31.973 8.138 -2.127 873 1H4 C 356 1H4 C 356 28.230 12.128 -5.408 874 2H4 C 356 2H4 C 356 28.901 11.523 -6.905 875 H5 C 356 H5 C 356 30.428 9.725 -7.031 876 H6 C 356 H6 C 356 31.699 8.049 -5.737 877 1H5* C 357 1H5* C 357 30.317 3.650 -1.761 878 2H5* C 357 2H5* C 357 29.975 1.922 -1.679 879 H4* C 357 H4* C 357 28.448 2.623 -0.171 880 H3* C 357 H3* C 357 27.087 2.764 -2.826 881 H2* C 357 H2* C 357 25.154 3.751 -1.879 882 2HO* C 357 2HO* C 357 25.540 2.317 0.017 883 H1* C 357 H1* C 357 26.481 5.711 -0.486 884 1H4 C 357 1H4 C 357 25.539 8.232 -6.288 885 2H4 C 357 2H4 C 357 27.083 7.584 -6.789 886 H5 C 357 H5 C 357 28.410 6.160 -5.451 887 H6 C 357 H6 C 357 28.582 4.997 -3.278 888 1H5* U 358 1H5* U 358 23.627 2.510 -0.510 889 2H5* U 358 2H5* U 358 23.124 0.861 -0.884 890 H4* U 358 H4* U 358 21.239 2.130 -1.353 891 H3* U 358 H3* U 358 22.751 1.535 -3.878 892 H2* U 358 H2* U 358 21.110 2.671 -5.158 893 2HO* U 358 2HO* U 358 19.450 1.773 -3.735 894 H1* U 358 H1* U 358 21.036 4.839 -3.289 895 H3 U 358 H3 U 358 22.498 7.059 -6.922 896 H5 U 358 H5 U 358 25.644 4.424 -6.086 897 H6 U 358 H6 U 358 24.226 3.440 -4.344 898 1H5* G 359 1H5* G 359 18.777 -0.107 -3.779 899 2H5* G 359 2H5* G 359 18.310 -1.409 -4.872 900 H4* G 359 H4* G 359 17.015 0.599 -5.303 901 H3* G 359 H3* G 359 18.918 -0.264 -7.478 902 H2* G 359 H2* G 359 17.977 1.389 -8.899 903 2HO* G 359 2HO* G 359 15.877 1.744 -8.483 904 H1* G 359 H1* G 359 18.063 3.362 -6.865 905 H8 G 359 H8 G 359 21.244 1.487 -6.814 906 H1 G 359 H1 G 359 21.025 5.907 -11.537 907 1H2 G 359 1H2 G 359 19.096 6.607 -11.735 908 2H2 G 359 2H2 G 359 17.739 6.077 -10.768 909 1H5* G 360 1H5* G 360 14.954 -0.794 -8.334 910 2H5* G 360 2H5* G 360 14.173 -2.142 -9.160 911 H4* G 360 H4* G 360 13.602 -0.387 -10.518 912 H3* G 360 H3* G 360 16.129 -1.592 -11.625 913 H2* G 360 H2* G 360 16.008 -0.087 -13.466 914 2HO* G 360 2HO* G 360 13.529 0.681 -12.213 915 H1* G 360 H1* G 360 15.557 2.137 -11.802 916 H8 G 360 H8 G 360 18.086 -0.148 -10.285 917 H1 G 360 H1 G 360 20.569 3.861 -14.717 918 1H2 G 360 1H2 G 360 19.038 4.811 -15.722 919 2H2 G 360 2H2 G 360 17.336 4.557 -15.410 920 1H5* G 361 1H5* G 361 12.881 -2.375 -14.154 921 2H5* G 361 2H5* G 361 12.731 -3.807 -15.171 922 H4* G 361 H4* G 361 13.106 -2.062 -16.670 923 H3* G 361 H3* G 361 15.670 -3.562 -16.160 924 H2* G 361 H2* G 361 16.724 -2.258 -17.846 925 2HO* G 361 2HO* G 361 14.104 -1.118 -18.205 926 H1* G 361 H1* G 361 15.662 0.154 -16.826 927 H8 G 361 H8 G 361 16.820 -2.067 -14.066 928 H1 G 361 H1 G 361 21.590 1.369 -16.771 929 1H2 G 361 1H2 G 361 20.899 2.273 -18.490 930 2H2 G 361 2H2 G 361 19.269 2.122 -19.108 931 1H5* A 362 1H5* A 362 13.867 -4.250 -19.980 932 2H5* A 362 2H5* A 362 14.007 -5.757 -20.884 933 H4* A 362 H4* A 362 14.859 -4.074 -22.289 934 H3* A 362 H3* A 362 16.997 -5.768 -21.050 935 H2* A 362 H2* A 362 18.685 -4.557 -22.200 936 2HO* A 362 2HO* A 362 16.393 -3.291 -23.402 937 H1* A 362 H1* A 362 17.689 -2.061 -21.466 938 H8 A 362 H8 A 362 17.141 -4.260 -18.555 939 1H6 A 362 1H6 A 362 23.091 -3.256 -16.963 940 2H6 A 362 2H6 A 362 21.570 -3.923 -16.413 941 H2 A 362 H2 A 362 22.464 -1.675 -21.067 942 1H5* G 363 1H5* G 363 18.402 -4.839 -24.931 943 2H5* G 363 2H5* G 363 19.238 -6.280 -25.511 944 H4* G 363 H4* G 363 20.550 -4.067 -25.082 945 H3* G 363 H3* G 363 21.449 -6.863 -24.456 946 H2* G 363 H2* G 363 23.522 -6.036 -23.653 947 2HO* G 363 2HO* G 363 23.864 -4.425 -25.157 948 H1* G 363 H1* G 363 22.385 -4.071 -22.053 949 H8 G 363 H8 G 363 20.027 -6.875 -21.821 950 H1 G 363 H1 G 363 25.375 -7.872 -18.315 951 1H2 G 363 1H2 G 363 26.804 -6.477 -18.827 952 2H2 G 363 2H2 G 363 26.587 -5.224 -20.027 953 1H5* A 364 1H5* A 364 25.892 -6.405 -27.252 954 2H5* A 364 2H5* A 364 24.605 -6.614 -28.439 955 H4* A 364 H4* A 364 24.827 -9.157 -27.573 956 H3* A 364 H3* A 364 27.220 -7.956 -26.523 957 H2* A 364 H2* A 364 28.446 -8.253 -28.464 958 2HO* A 364 2HO* A 364 29.320 -9.862 -27.216 959 H1* A 364 H1* A 364 26.442 -10.469 -29.172 960 H8 A 364 H8 A 364 28.278 -7.518 -30.819 961 1H6 A 364 1H6 A 364 29.163 -11.418 -35.610 962 2H6 A 364 2H6 A 364 29.466 -9.796 -35.028 963 H2 A 364 H2 A 364 26.891 -13.577 -32.460 964 1H5* G 365 1H5* G 365 28.006 -9.180 -22.423 965 2H5* G 365 2H5* G 365 29.244 -8.982 -23.663 966 H4* G 365 H4* G 365 28.949 -11.094 -21.576 967 H3* G 365 H3* G 365 30.821 -9.039 -22.046 968 H2* G 365 H2* G 365 32.079 -10.220 -23.620 969 2HO* G 365 2HO* G 365 32.827 -11.653 -21.262 970 H1* G 365 H1* G 365 31.182 -12.757 -22.142 971 H8 G 365 H8 G 365 31.159 -11.795 -25.837 972 H1 G 365 H1 G 365 34.829 -16.912 -24.346 973 1H2 G 365 1H2 G 365 34.857 -17.167 -22.300 974 2H2 G 365 2H2 G 365 34.013 -16.146 -21.158 975 1H5* G 366 1H5* G 366 30.450 -6.685 -20.068 976 2H5* G 366 2H5* G 366 31.875 -6.856 -21.093 977 H4* G 366 H4* G 366 31.920 -6.007 -18.188 978 H3* G 366 H3* G 366 30.924 -4.231 -19.629 979 H2* G 366 H2* G 366 31.937 -4.804 -21.731 980 2HO* G 366 2HO* G 366 32.051 -2.631 -21.779 981 H1* G 366 H1* G 366 34.697 -4.379 -20.555 982 H8 G 366 H8 G 366 34.666 -7.780 -21.138 983 H1 G 366 H1 G 366 34.866 -4.786 -26.873 984 1H2 G 366 1H2 G 366 34.311 -2.814 -26.639 985 2H2 G 366 2H2 G 366 33.859 -2.080 -25.117 986 1H5* U 367 1H5* U 367 32.276 -1.213 -19.609 987 2H5* U 367 2H5* U 367 31.614 -0.001 -18.515 988 H4* U 367 H4* U 367 30.931 -0.126 -21.072 989 H3* U 367 H3* U 367 29.281 0.698 -18.705 990 H2* U 367 H2* U 367 27.407 1.082 -20.112 991 2HO* U 367 2HO* U 367 28.879 1.919 -21.764 992 H1* U 367 H1* U 367 27.595 -1.358 -21.417 993 H3 U 367 H3 U 367 24.116 -2.267 -18.715 994 H5 U 367 H5 U 367 27.332 -1.980 -16.048 995 H6 U 367 H6 U 367 28.718 -1.289 -17.950 996 1H5* C 368 1H5* C 368 29.025 3.878 -21.395 997 2H5* C 368 2H5* C 368 28.917 5.484 -20.673 998 H4* C 368 H4* C 368 26.912 4.856 -21.965 999 H3* C 368 H3* C 368 26.626 5.431 -19.020 1000 H2* C 368 H2* C 368 24.269 5.297 -19.256 1001 2HO* C 368 2HO* C 368 24.864 4.986 -22.057 1002 H1* C 368 H1* C 368 24.400 2.929 -20.784 1003 1H4 C 368 1H4 C 368 23.162 0.979 -14.826 1004 2H4 C 368 2H4 C 368 24.870 1.071 -14.460 1005 H5 C 368 H5 C 368 26.491 1.920 -15.952 1006 H6 C 368 H6 C 368 26.878 2.901 -18.185 1007 1H5* C 369 1H5* C 369 24.497 7.831 -21.045 1008 2H5* C 369 2H5* C 369 24.445 9.593 -21.045 1009 H4* C 369 H4* C 369 22.285 9.220 -20.512 1010 H3* C 369 H3* C 369 23.711 9.100 -17.863 1011 H2* C 369 H2* C 369 21.630 8.743 -16.779 1012 2HO* C 369 2HO* C 369 20.576 9.164 -19.428 1013 H1* C 369 H1* C 369 20.821 6.786 -18.644 1014 1H4 C 369 1H4 C 369 23.140 3.161 -13.963 1015 2H4 C 369 2H4 C 369 24.722 3.886 -14.141 1016 H5 C 369 H5 C 369 25.210 5.625 -15.663 1017 H6 C 369 H6 C 369 24.289 7.110 -17.409 1018 1H5* C 370 1H5* C 370 20.916 12.003 -18.105 1019 2H5* C 370 2H5* C 370 20.811 13.518 -17.206 1020 H4* C 370 H4* C 370 19.058 12.166 -16.413 1021 H3* C 370 H3* C 370 21.373 12.209 -14.479 1022 H2* C 370 H2* C 370 20.029 11.031 -12.919 1023 2HO* C 370 2HO* C 370 18.161 12.288 -13.516 1024 H1* C 370 H1* C 370 19.092 9.234 -14.920 1025 1H4 C 370 1H4 C 370 23.547 5.843 -11.879 1026 2H4 C 370 2H4 C 370 24.801 6.852 -12.564 1027 H5 C 370 H5 C 370 24.377 8.750 -13.905 1028 H6 C 370 H6 C 370 22.627 10.159 -14.930 1029 1H5* A 371 1H5* A 371 18.196 15.230 -12.571 1030 2H5* A 371 2H5* A 371 19.102 16.049 -11.299 1031 H4* A 371 H4* A 371 17.094 14.734 -10.551 1032 H3* A 371 H3* A 371 19.824 14.341 -9.367 1033 H2* A 371 H2* A 371 18.938 12.774 -7.808 1034 2HO* A 371 2HO* A 371 16.968 14.075 -7.681 1035 H1* A 371 H1* A 371 17.616 11.293 -9.755 1036 H8 A 371 H8 A 371 20.731 12.396 -11.371 1037 1H6 A 371 1H6 A 371 23.657 7.713 -8.463 1038 2H6 A 371 2H6 A 371 23.821 8.931 -9.708 1039 H2 A 371 H2 A 371 19.597 8.119 -6.706 1040 1H5* G 372 1H5* G 372 17.114 15.142 -5.880 1041 2H5* G 372 2H5* G 372 18.001 16.324 -4.919 1042 H4* G 372 H4* G 372 17.316 14.497 -3.516 1043 H3* G 372 H3* G 372 20.269 14.721 -4.033 1044 H2* G 372 H2* G 372 20.667 12.936 -2.509 1045 2HO* G 372 2HO* G 372 19.149 13.288 -0.951 1046 H1* G 372 H1* G 372 18.720 11.292 -3.675 1047 H8 G 372 H8 G 372 20.376 13.056 -6.454 1048 H1 G 372 H1 G 372 23.945 8.181 -4.135 1049 1H2 G 372 1H2 G 372 23.142 7.528 -2.351 1050 2H2 G 372 2H2 G 372 21.715 8.200 -1.596 1051 1H5* G 373 1H5* G 373 19.491 15.138 -0.184 1052 2H5* G 373 2H5* G 373 20.126 16.338 0.942 1053 H4* G 373 H4* G 373 20.789 14.221 1.753 1054 H3* G 373 H3* G 373 23.040 15.743 0.465 1055 H2* G 373 H2* G 373 24.557 14.032 1.103 1056 2HO* G 373 2HO* G 373 23.848 12.536 2.672 1057 H1* G 373 H1* G 373 22.929 11.966 0.162 1058 H8 G 373 H8 G 373 22.545 14.711 -2.262 1059 H1 G 373 H1 G 373 28.133 11.529 -2.993 1060 1H2 G 373 1H2 G 373 28.446 10.305 -1.364 1061 2H2 G 373 2H2 G 373 27.357 10.161 -0.003 1062 1H5* G 374 1H5* G 374 24.168 14.136 4.340 1063 2H5* G 374 2H5* G 374 25.030 15.387 5.235 1064 H4* G 374 H4* G 374 26.315 13.377 5.316 1065 H3* G 374 H3* G 374 27.457 15.588 3.651 1066 H2* G 374 H2* G 374 29.365 14.272 3.119 1067 2HO* G 374 2HO* G 374 28.349 12.055 4.545 1068 H1* G 374 H1* G 374 27.788 12.033 2.427 1069 H8 G 374 H8 G 374 26.223 15.130 1.102 1070 H1 G 374 H1 G 374 31.051 12.935 -2.607 1071 1H2 G 374 1H2 G 374 32.075 11.457 -1.599 1072 2H2 G 374 2H2 G 374 31.685 10.895 0.010 1073 1H5* U 375 1H5* U 375 30.448 14.257 5.624 1074 2H5* U 375 2H5* U 375 31.396 15.369 6.611 1075 H4* U 375 H4* U 375 32.957 14.386 5.190 1076 H3* U 375 H3* U 375 32.168 17.106 4.186 1077 H2* U 375 H2* U 375 33.681 16.908 2.386 1078 2HO* U 375 2HO* U 375 34.500 14.560 3.839 1079 H1* U 375 H1* U 375 32.938 14.152 1.968 1080 H3 U 375 H3 U 375 31.969 15.944 -2.070 1081 H5 U 375 H5 U 375 29.126 17.662 0.481 1082 H6 U 375 H6 U 375 30.312 16.607 2.351 1083 1H5* U 376 1H5* U 376 36.641 17.235 4.829 1084 2H5* U 376 2H5* U 376 37.106 18.933 4.923 1085 H4* U 376 H4* U 376 38.061 17.619 2.996 1086 H3* U 376 H3* U 376 36.591 20.213 2.621 1087 H2* U 376 H2* U 376 37.044 20.151 0.299 1088 2HO* U 376 2HO* U 376 38.995 19.275 -0.058 1089 H1* U 376 H1* U 376 36.389 17.367 0.150 1090 H3 U 376 H3 U 376 33.545 19.725 -2.607 1091 H5 U 376 H5 U 376 31.845 19.916 1.215 1092 H6 U 376 H6 U 376 33.923 18.945 2.081 1093 2H ALA 1 HN ALA 1 55.537 48.847 -6.354 1094 HA ALA 1 HA ALA 1 54.287 47.521 -8.644 1095 1HB ALA 1 1HB ALA 1 56.484 49.581 -8.975 1096 2HB ALA 1 2HB ALA 1 55.405 48.894 -10.213 1097 3HB ALA 1 3HB ALA 1 54.765 50.039 -9.008 1098 H THR 2 HN THR 2 55.328 45.651 -9.178 1099 HA THR 2 HA THR 2 58.091 45.294 -9.046 1100 HB THR 2 HB THR 2 57.745 45.452 -6.582 1101 HG1 THR 2 HG1 THR 2 57.991 42.678 -7.494 1102 1HG2 THR 2 1HG2 THR 2 56.459 42.886 -6.188 1103 2HG2 THR 2 2HG2 THR 2 55.949 44.474 -5.566 1104 3HG2 THR 2 3HG2 THR 2 55.374 43.914 -7.155 1105 H VAL 3 HN VAL 3 58.740 43.315 -9.945 1106 HA VAL 3 HA VAL 3 56.500 41.590 -10.737 1107 HB VAL 3 HB VAL 3 58.800 42.629 -12.397 1108 1HG1 VAL 3 1HG1 VAL 3 57.969 41.196 -14.218 1109 2HG1 VAL 3 2HG1 VAL 3 58.524 40.233 -12.828 1110 3HG1 VAL 3 3HG1 VAL 3 56.783 40.471 -13.107 1111 1HG2 VAL 3 1HG2 VAL 3 57.233 43.783 -13.661 1112 2HG2 VAL 3 2HG2 VAL 3 55.890 42.731 -13.156 1113 3HG2 VAL 3 3HG2 VAL 3 56.557 43.930 -12.022 1114 H VAL 4 HN VAL 4 56.849 39.388 -10.535 1115 HA VAL 4 HA VAL 4 59.552 38.621 -9.672 1116 HB VAL 4 HB VAL 4 56.865 37.804 -8.557 1117 1HG1 VAL 4 1HG1 VAL 4 58.516 36.473 -6.956 1118 2HG1 VAL 4 2HG1 VAL 4 57.901 35.757 -8.464 1119 3HG1 VAL 4 3HG1 VAL 4 59.536 36.459 -8.414 1120 1HG2 VAL 4 1HG2 VAL 4 57.961 38.562 -6.402 1121 2HG2 VAL 4 2HG2 VAL 4 59.269 39.242 -7.399 1122 3HG2 VAL 4 3HG2 VAL 4 57.605 39.849 -7.579 1123 H SER 5 HN SER 5 56.486 36.806 -10.314 1124 HA SER 5 HA SER 5 56.941 36.050 -12.851 1125 1HB SER 5 2HB SER 5 57.924 33.680 -12.471 1126 2HB SER 5 3HB SER 5 59.038 35.034 -12.469 1127 HG SER 5 HG SER 5 58.511 33.238 -10.469 1128 H GLY 6 HN GLY 6 55.929 33.621 -13.221 1129 1HA GLY 6 1HA GLY 6 54.468 32.030 -11.991 1130 2HA GLY 6 2HA GLY 6 53.647 33.437 -11.345 1131 H GLN 7 HN GLN 7 53.032 31.070 -13.388 1132 HA GLN 7 HA GLN 7 51.359 32.733 -15.001 1133 1HB GLN 7 2HB GLN 7 53.825 31.542 -16.068 1134 2HB GLN 7 3HB GLN 7 52.412 31.000 -16.951 1135 1HG GLN 7 2HG GLN 7 52.639 33.940 -16.304 1136 2HG GLN 7 3HG GLN 7 53.660 33.296 -17.573 1137 1HE2 GLN 7 1HE2 GLN 7 52.721 32.280 -19.390 1138 2HE2 GLN 7 2HE2 GLN 7 51.106 32.637 -19.902 1139 H LYS 8 HN LYS 8 52.702 29.345 -14.941 1140 HA LYS 8 HA LYS 8 50.146 28.346 -14.094 1141 1HB LYS 8 2HB LYS 8 50.910 28.323 -16.925 1142 2HB LYS 8 3HB LYS 8 50.555 26.724 -16.304 1143 1HG LYS 8 2HG LYS 8 48.692 29.028 -15.657 1144 2HG LYS 8 3HG LYS 8 48.592 28.248 -17.223 1145 1HD LYS 8 2HD LYS 8 47.645 26.349 -16.361 1146 2HD LYS 8 3HD LYS 8 48.729 26.314 -14.985 1147 1HE LYS 8 2HE LYS 8 47.222 28.516 -14.338 1148 2HE LYS 8 3HE LYS 8 46.039 27.599 -15.250 1149 1HZ LYS 8 1HZ LYS 8 46.004 25.991 -13.706 1150 2HZ LYS 8 2HZ LYS 8 47.586 26.116 -13.323 1151 3HZ LYS 8 3HZ LYS 8 46.512 27.183 -12.711 1152 H GLN 9 HN GLN 9 50.321 25.809 -13.970 1153 HA GLN 9 HA GLN 9 52.872 24.697 -13.941 1154 1HB GLN 9 2HB GLN 9 53.055 24.394 -11.414 1155 2HB GLN 9 3HB GLN 9 53.396 26.008 -12.006 1156 1HG GLN 9 2HG GLN 9 50.661 26.154 -11.590 1157 2HG GLN 9 3HG GLN 9 51.140 25.049 -10.317 1158 1HE2 GLN 9 1HE2 GLN 9 51.715 28.210 -11.757 1159 2HE2 GLN 9 2HE2 GLN 9 52.356 28.998 -10.354 1160 H ASP 10 HN ASP 10 49.591 24.749 -12.431 1161 HA ASP 10 HA ASP 10 48.915 22.311 -13.542 1162 1HB ASP 10 2HB ASP 10 50.454 22.061 -11.148 1163 2HB ASP 10 3HB ASP 10 48.799 21.718 -10.687 1164 H ARG 11 HN ARG 11 46.838 21.422 -12.010 1165 HA ARG 11 HA ARG 11 45.469 23.851 -11.172 1166 1HB ARG 11 2HB ARG 11 44.438 21.515 -12.842 1167 2HB ARG 11 3HB ARG 11 43.337 22.589 -12.003 1168 1HG ARG 11 2HG ARG 11 45.307 24.182 -13.427 1169 2HG ARG 11 3HG ARG 11 44.616 23.011 -14.532 1170 1HD ARG 11 2HD ARG 11 42.831 24.669 -12.707 1171 2HD ARG 11 3HD ARG 11 43.395 25.312 -14.236 1172 HE ARG 11 HE ARG 11 42.146 22.635 -14.364 1173 1HH1 ARG 11 2HH2 ARG 11 41.736 26.109 -14.741 1174 2HH1 ARG 11 1HH2 ARG 11 40.313 25.965 -15.717 1175 1HH2 ARG 11 2HH1 ARG 11 40.268 22.443 -15.652 1176 2HH2 ARG 11 1HH1 ARG 11 39.473 23.865 -16.238 1177 H GLN 12 HN GLN 12 45.357 20.209 -11.080 1178 HA GLN 12 HA GLN 12 45.067 20.373 -8.226 1179 1HB GLN 12 2HB GLN 12 42.719 20.417 -9.246 1180 2HB GLN 12 3HB GLN 12 43.026 18.804 -9.854 1181 1HG GLN 12 2HG GLN 12 43.717 18.317 -7.314 1182 2HG GLN 12 3HG GLN 12 42.726 19.726 -6.991 1183 1HE2 GLN 12 1HE2 GLN 12 40.895 19.007 -6.192 1184 2HE2 GLN 12 2HE2 GLN 12 39.863 17.798 -6.877 1185 H GLY 13 HN GLY 13 45.896 18.522 -7.163 1186 1HA GLY 13 1HA GLY 13 47.084 16.509 -8.976 1187 2HA GLY 13 2HA GLY 13 47.807 17.069 -7.481 1188 H GLY 14 HN GLY 14 47.852 15.183 -6.260 1189 1HA GLY 14 1HA GLY 14 45.296 14.244 -5.263 1190 2HA GLY 14 2HA GLY 14 46.200 13.071 -6.201 1191 H GLU 15 HN GLU 15 45.617 14.102 -3.092 1192 HA GLU 15 HA GLU 15 47.547 12.506 -1.985 1193 1HB GLU 15 2HB GLU 15 48.489 15.238 -2.568 1194 2HB GLU 15 3HB GLU 15 48.640 14.833 -0.870 1195 1HG GLU 15 2HG GLU 15 49.497 12.517 -2.312 1196 2HG GLU 15 3HG GLU 15 50.231 13.890 -3.119 1197 H ARG 16 HN ARG 16 47.210 12.280 0.297 1198 HA ARG 16 HA ARG 16 45.669 14.231 1.648 1199 1HB ARG 16 2HB ARG 16 44.387 11.736 0.573 1200 2HB ARG 16 3HB ARG 16 43.979 12.150 2.226 1201 1HG ARG 16 2HG ARG 16 43.475 14.537 1.355 1202 2HG ARG 16 3HG ARG 16 43.590 13.869 -0.261 1203 1HD ARG 16 2HD ARG 16 41.867 12.250 1.523 1204 2HD ARG 16 3HD ARG 16 41.289 13.894 1.333 1205 HE ARG 16 HE ARG 16 41.829 13.228 -1.259 1206 1HH1 ARG 16 2HH2 ARG 16 40.087 11.507 1.269 1207 2HH1 ARG 16 1HH2 ARG 16 39.036 10.686 0.163 1208 1HH2 ARG 16 2HH1 ARG 16 40.443 12.145 -2.718 1209 2HH2 ARG 16 1HH1 ARG 16 39.240 11.051 -2.120 1210 H ARG 17 HN ARG 17 47.119 14.251 3.376 1211 HA ARG 17 HA ARG 17 47.009 12.159 5.188 1212 1HB ARG 17 2HB ARG 17 48.710 11.387 3.250 1213 2HB ARG 17 3HB ARG 17 49.832 12.410 4.127 1214 1HG ARG 17 2HG ARG 17 48.634 10.960 6.184 1215 2HG ARG 17 3HG ARG 17 48.690 9.781 4.889 1216 1HD ARG 17 2HD ARG 17 51.158 11.440 5.472 1217 2HD ARG 17 3HD ARG 17 50.776 10.088 6.519 1218 HE ARG 17 HE ARG 17 50.715 9.466 3.638 1219 1HH1 ARG 17 2HH2 ARG 17 52.634 9.512 6.587 1220 2HH1 ARG 17 1HH2 ARG 17 53.780 8.349 6.012 1221 1HH2 ARG 17 2HH1 ARG 17 52.227 7.931 2.878 1222 2HH2 ARG 17 1HH1 ARG 17 53.548 7.442 3.888 1223 H ARG 18 HN ARG 18 46.688 13.757 6.770 1224 HA ARG 18 HA ARG 18 48.495 15.978 6.818 1225 1HB ARG 18 2HB ARG 18 46.095 15.208 8.548 1226 2HB ARG 18 3HB ARG 18 47.041 16.655 8.831 1227 1HG ARG 18 2HG ARG 18 45.831 17.746 7.258 1228 2HG ARG 18 3HG ARG 18 46.430 16.643 6.037 1229 1HD ARG 18 2HD ARG 18 44.317 15.405 7.680 1230 2HD ARG 18 3HD ARG 18 43.760 16.875 6.906 1231 HE ARG 18 HE ARG 18 44.307 15.911 4.731 1232 1HH1 ARG 18 2HH2 ARG 18 44.614 13.688 7.441 1233 2HH1 ARG 18 1HH2 ARG 18 44.543 12.269 6.451 1234 1HH2 ARG 18 2HH1 ARG 18 44.214 14.039 3.424 1235 2HH2 ARG 18 1HH1 ARG 18 44.314 12.470 4.150 1236 H SER 19 HN SER 19 49.884 13.567 7.224 1237 HA SER 19 HA SER 19 50.105 12.448 9.596 1238 1HB SER 19 2HB SER 19 51.726 12.659 7.349 1239 2HB SER 19 3HB SER 19 52.756 13.325 8.601 1240 HG SER 19 HG SER 19 52.417 10.770 8.098 1241 H GLN 20 HN GLN 20 51.181 15.765 8.739 1242 HA GLN 20 HA GLN 20 51.286 16.347 11.556 1243 1HB GLN 20 2HB GLN 20 53.675 16.205 9.808 1244 2HB GLN 20 3HB GLN 20 53.536 17.720 10.678 1245 1HG GLN 20 2HG GLN 20 52.938 16.006 12.710 1246 2HG GLN 20 3HG GLN 20 53.943 14.944 11.745 1247 1HE2 GLN 20 1HE2 GLN 20 55.772 14.859 12.857 1248 2HE2 GLN 20 2HE2 GLN 20 56.775 16.204 13.285 1249 H LEU 21 HN LEU 21 49.228 17.100 9.976 1250 HA LEU 21 HA LEU 21 49.872 19.789 9.019 1251 1HB LEU 21 2HB LEU 21 48.543 17.811 7.769 1252 2HB LEU 21 3HB LEU 21 47.198 18.587 8.580 1253 HG LEU 21 HG LEU 21 49.052 19.732 6.499 1254 1HD1 LEU 21 1HD1 LEU 21 46.029 19.617 6.678 1255 2HD1 LEU 21 2HD1 LEU 21 46.994 20.219 5.309 1256 3HD1 LEU 21 3HD1 LEU 21 47.056 18.495 5.753 1257 1HD2 LEU 21 1HD2 LEU 21 48.779 21.302 8.489 1258 2HD2 LEU 21 2HD2 LEU 21 48.325 21.935 6.888 1259 3HD2 LEU 21 3HD2 LEU 21 47.063 21.411 8.029 1260 H ASP 22 HN ASP 22 50.039 20.876 11.024 1261 HA ASP 22 HA ASP 22 48.009 20.565 12.957 1262 1HB ASP 22 2HB ASP 22 50.586 21.673 12.848 1263 2HB ASP 22 3HB ASP 22 49.562 23.079 13.058 1264 H ARG 23 HN ARG 23 46.566 22.431 13.674 1265 HA ARG 23 HA ARG 23 45.216 23.487 11.495 1266 1HB ARG 23 2HB ARG 23 44.395 23.012 13.933 1267 2HB ARG 23 3HB ARG 23 45.048 24.589 14.333 1268 1HG ARG 23 2HG ARG 23 42.652 24.787 13.793 1269 2HG ARG 23 3HG ARG 23 43.605 25.645 12.599 1270 1HD ARG 23 2HD ARG 23 43.205 24.042 10.916 1271 2HD ARG 23 3HD ARG 23 42.912 22.751 12.063 1272 HE ARG 23 HE ARG 23 40.842 24.493 12.594 1273 1HH1 ARG 23 2HH2 ARG 23 42.044 23.020 9.634 1274 2HH1 ARG 23 1HH2 ARG 23 40.495 23.010 8.857 1275 1HH2 ARG 23 2HH1 ARG 23 38.798 24.482 11.571 1276 2HH2 ARG 23 1HH1 ARG 23 38.637 23.848 9.967 1277 H ASP 24 HN ASP 24 48.160 24.416 12.916 1278 HA ASP 24 HA ASP 24 47.833 27.097 11.826 1279 1HB ASP 24 2HB ASP 24 48.430 26.353 14.534 1280 2HB ASP 24 3HB ASP 24 49.910 27.003 13.856 1281 H GLN 25 HN GLN 25 48.845 24.539 10.638 1282 HA GLN 25 HA GLN 25 51.668 25.239 10.406 1283 1HB GLN 25 2HB GLN 25 50.461 22.760 11.056 1284 2HB GLN 25 3HB GLN 25 50.998 22.577 9.398 1285 1HG GLN 25 2HG GLN 25 53.282 23.366 10.047 1286 2HG GLN 25 3HG GLN 25 52.747 23.556 11.704 1287 1HE2 GLN 25 1HE2 GLN 25 53.901 21.439 9.304 1288 2HE2 GLN 25 2HE2 GLN 25 53.871 19.953 10.192 1289 H CYS 26 HN CYS 26 52.483 24.142 8.103 1290 HA CYS 26 HA CYS 26 50.715 25.393 6.144 1291 1HB CYS 26 2HB CYS 26 53.014 26.321 6.349 1292 2HB CYS 26 3HB CYS 26 53.677 24.758 5.915 1293 H ALA 27 HN ALA 27 49.887 24.149 4.436 1294 HA ALA 27 HA ALA 27 50.408 21.281 4.641 1295 1HB ALA 27 1HB ALA 27 48.071 22.103 4.809 1296 2HB ALA 27 2HB ALA 27 48.222 22.828 3.191 1297 3HB ALA 27 3HB ALA 27 48.310 21.062 3.387 1298 H TYR 28 HN TYR 28 52.240 23.401 3.404 1299 HA TYR 28 HA TYR 28 52.322 22.194 0.720 1300 1HB TYR 28 2HB TYR 28 51.642 24.708 1.023 1301 2HB TYR 28 3HB TYR 28 53.252 24.975 1.661 1302 HD1 TYR 28 HD1 TYR 28 51.255 24.943 -1.271 1303 HD2 TYR 28 HD2 TYR 28 55.246 24.251 0.106 1304 HE1 TYR 28 HE1 TYR 28 52.138 25.302 -3.627 1305 HE2 TYR 28 HE2 TYR 28 56.116 24.613 -2.256 1306 HH TYR 28 HH TYR 28 55.103 24.342 -4.606 1307 H CYS 29 HN CYS 29 54.390 24.162 2.980 1308 HA CYS 29 HA CYS 29 56.635 22.511 2.156 1309 1HB CYS 29 2HB CYS 29 58.030 24.220 3.253 1310 2HB CYS 29 3HB CYS 29 56.987 24.911 2.027 1311 H LYS 30 HN LYS 30 54.195 22.691 4.533 1312 HA LYS 30 HA LYS 30 53.861 21.360 6.297 1313 1HB LYS 30 2HB LYS 30 56.254 20.224 5.237 1314 2HB LYS 30 3HB LYS 30 56.459 20.355 6.971 1315 1HG LYS 30 2HG LYS 30 55.306 18.362 6.975 1316 2HG LYS 30 3HG LYS 30 53.908 19.417 6.932 1317 1HD LYS 30 2HD LYS 30 54.555 19.240 4.236 1318 2HD LYS 30 3HD LYS 30 55.005 17.647 4.812 1319 1HE LYS 30 2HE LYS 30 52.360 18.717 5.757 1320 2HE LYS 30 3HE LYS 30 52.468 18.280 4.064 1321 1HZ LYS 30 1HZ LYS 30 52.715 16.585 6.399 1322 2HZ LYS 30 2HZ LYS 30 51.946 16.301 4.988 1323 3HZ LYS 30 3HZ LYS 30 53.571 16.169 5.072 1324 H GLU 31 HN GLU 31 56.290 23.812 5.969 1325 HA GLU 31 HA GLU 31 57.221 24.147 8.472 1326 1HB GLU 31 2HB GLU 31 56.333 26.284 6.486 1327 2HB GLU 31 3HB GLU 31 57.315 26.614 7.899 1328 1HG GLU 31 2HG GLU 31 59.100 25.138 7.082 1329 2HG GLU 31 3HG GLU 31 58.101 24.594 5.749 1330 H LYS 32 HN LYS 32 56.522 25.130 10.418 1331 HA LYS 32 HA LYS 32 53.619 25.430 10.580 1332 1HB LYS 32 2HB LYS 32 53.833 24.962 12.910 1333 2HB LYS 32 3HB LYS 32 54.767 23.761 12.041 1334 1HG LYS 32 2HG LYS 32 56.506 26.002 12.551 1335 2HG LYS 32 3HG LYS 32 55.674 25.633 14.048 1336 1HD LYS 32 2HD LYS 32 56.287 23.117 13.446 1337 2HD LYS 32 3HD LYS 32 57.493 23.852 12.409 1338 1HE LYS 32 2HE LYS 32 58.834 24.052 14.229 1339 2HE LYS 32 3HE LYS 32 57.729 25.265 14.845 1340 1HZ LYS 32 1HZ LYS 32 58.193 23.196 16.230 1341 2HZ LYS 32 2HZ LYS 32 56.648 23.717 16.122 1342 3HZ LYS 32 3HZ LYS 32 57.141 22.435 15.238 1343 H GLY 33 HN GLY 33 52.642 27.342 11.214 1344 1HA GLY 33 1HA GLY 33 53.122 29.432 12.539 1345 2HA GLY 33 2HA GLY 33 54.470 29.654 11.442 1346 H HIS 34 HN HIS 34 53.362 28.816 8.971 1347 HA HIS 34 HA HIS 34 51.215 30.787 8.655 1348 1HB HIS 34 2HB HIS 34 52.092 31.306 6.467 1349 2HB HIS 34 3HB HIS 34 53.337 31.536 7.679 1350 HD1 HIS 34 HD1 HIS 34 55.420 29.991 7.589 1351 HD2 HIS 34 HD2 HIS 34 52.536 29.139 4.664 1352 HE1 HIS 34 HE1 HIS 34 56.532 28.404 5.930 1353 H TRP 35 HN TRP 35 49.883 30.319 6.559 1354 HA TRP 35 HA TRP 35 49.235 27.468 6.645 1355 1HB TRP 35 2HB TRP 35 47.704 29.970 6.212 1356 2HB TRP 35 3HB TRP 35 47.209 28.581 5.265 1357 HD1 TRP 35 HD1 TRP 35 48.210 28.856 9.048 1358 HE1 TRP 35 HE1 TRP 35 46.387 27.696 10.564 1359 HE3 TRP 35 HE3 TRP 35 45.118 27.541 5.232 1360 HZ2 TRP 35 HZ2 TRP 35 43.913 26.387 10.008 1361 HZ3 TRP 35 HZ3 TRP 35 43.019 26.324 5.805 1362 HH2 TRP 35 HH2 TRP 35 42.397 25.747 8.097 1363 H ALA 36 HN ALA 36 48.490 26.557 4.431 1364 HA ALA 36 HA ALA 36 50.606 26.677 2.650 1365 1HB ALA 36 1HB ALA 36 47.789 25.626 2.624 1366 2HB ALA 36 2HB ALA 36 48.702 25.660 1.096 1367 3HB ALA 36 3HB ALA 36 49.332 24.748 2.489 1368 H LYS 37 HN LYS 37 47.399 28.352 2.628 1369 HA LYS 37 HA LYS 37 47.825 29.607 0.146 1370 1HB LYS 37 2HB LYS 37 45.901 29.907 2.424 1371 2HB LYS 37 3HB LYS 37 45.992 31.189 1.233 1372 1HG LYS 37 2HG LYS 37 44.594 29.933 -0.045 1373 2HG LYS 37 3HG LYS 37 45.969 28.893 -0.358 1374 1HD LYS 37 2HD LYS 37 44.693 28.319 2.246 1375 2HD LYS 37 3HD LYS 37 43.583 28.132 0.902 1376 1HE LYS 37 2HE LYS 37 46.354 26.935 0.674 1377 2HE LYS 37 3HE LYS 37 45.161 26.114 1.661 1378 1HZ LYS 37 1HZ LYS 37 45.277 25.541 -0.779 1379 2HZ LYS 37 2HZ LYS 37 43.791 25.813 -0.159 1380 3HZ LYS 37 3HZ LYS 37 44.520 26.960 -1.064 1381 H ASP 38 HN ASP 38 49.411 29.960 3.122 1382 HA ASP 38 HA ASP 38 50.109 32.702 2.414 1383 1HB ASP 38 2HB ASP 38 48.982 32.019 4.744 1384 2HB ASP 38 3HB ASP 38 50.613 31.532 5.156 1385 H CYS 39 HN CYS 39 51.143 29.811 1.697 1386 HA CYS 39 HA CYS 39 53.639 29.544 2.974 1387 1HB CYS 39 2HB CYS 39 52.339 27.694 1.856 1388 2HB CYS 39 3HB CYS 39 52.795 28.372 0.305 1389 HA PRO 40 HA PRO 40 55.706 32.576 0.587 1390 1HB PRO 40 2HB PRO 40 58.250 32.148 1.490 1391 2HB PRO 40 3HB PRO 40 57.081 33.132 2.348 1392 1HG PRO 40 2HG PRO 40 58.017 30.399 2.973 1393 2HG PRO 40 3HG PRO 40 57.198 31.545 4.016 1394 1HD PRO 40 2HD PRO 40 56.039 29.251 2.742 1395 2HD PRO 40 3HD PRO 40 55.197 30.461 3.690 1396 H LYS 41 HN LYS 41 55.691 29.383 0.042 1397 HA LYS 41 HA LYS 41 57.775 29.508 -1.988 1398 1HB LYS 41 2HB LYS 41 56.346 27.349 -0.515 1399 2HB LYS 41 3HB LYS 41 56.838 26.990 -2.157 1400 1HG LYS 41 2HG LYS 41 59.059 26.934 -1.611 1401 2HG LYS 41 3HG LYS 41 58.951 28.378 -0.625 1402 1HD LYS 41 2HD LYS 41 58.944 27.126 1.262 1403 2HD LYS 41 3HD LYS 41 57.494 26.296 0.734 1404 1HE LYS 41 2HE LYS 41 58.662 24.468 -0.089 1405 2HE LYS 41 3HE LYS 41 60.034 25.432 -0.598 1406 1HZ LYS 41 1HZ LYS 41 60.290 23.930 1.409 1407 2HZ LYS 41 2HZ LYS 41 60.878 25.449 1.531 1408 3HZ LYS 41 3HZ LYS 41 59.460 25.063 2.243 1409 H LYS 42 HN LYS 42 54.313 29.774 -1.551 1410 HA LYS 42 HA LYS 42 53.456 28.903 -4.049 1411 1HB LYS 42 2HB LYS 42 52.382 30.343 -1.765 1412 2HB LYS 42 3HB LYS 42 51.770 31.006 -3.268 1413 1HG LYS 42 2HG LYS 42 51.722 28.178 -3.610 1414 2HG LYS 42 3HG LYS 42 51.126 28.463 -1.988 1415 1HD LYS 42 2HD LYS 42 50.045 30.301 -4.085 1416 2HD LYS 42 3HD LYS 42 49.568 28.622 -4.244 1417 1HE LYS 42 2HE LYS 42 49.276 29.146 -1.487 1418 2HE LYS 42 3HE LYS 42 48.716 30.618 -2.256 1419 1HZ LYS 42 1HZ LYS 42 47.398 28.203 -2.081 1420 2HZ LYS 42 2HZ LYS 42 46.888 29.565 -2.822 1421 3HZ LYS 42 3HZ LYS 42 47.716 28.438 -3.665 1422 HA PRO 43 HA PRO 43 55.393 32.081 -6.374 1423 1HB PRO 43 2HB PRO 43 55.108 30.897 -8.821 1424 2HB PRO 43 3HB PRO 43 56.468 30.587 -7.760 1425 1HG PRO 43 2HG PRO 43 54.135 28.865 -8.336 1426 2HG PRO 43 3HG PRO 43 55.681 28.422 -7.637 1427 1HD PRO 43 2HD PRO 43 53.200 28.766 -6.240 1428 2HD PRO 43 3HD PRO 43 54.768 28.439 -5.527 1429 H ARG 44 HN ARG 44 53.108 32.886 -5.374 1430 HA ARG 44 HA ARG 44 52.069 34.291 -7.587 1431 1HB ARG 44 2HB ARG 44 50.790 31.824 -6.968 1432 2HB ARG 44 3HB ARG 44 49.745 33.057 -6.290 1433 1HG ARG 44 2HG ARG 44 49.961 34.275 -8.575 1434 2HG ARG 44 3HG ARG 44 50.669 32.791 -9.181 1435 1HD ARG 44 2HD ARG 44 48.653 31.525 -8.722 1436 2HD ARG 44 3HD ARG 44 47.975 32.818 -7.753 1437 HE ARG 44 HE ARG 44 48.571 33.547 -10.549 1438 1HH1 ARG 44 2HH2 ARG 44 46.156 32.385 -8.269 1439 2HH1 ARG 44 1HH2 ARG 44 44.812 32.843 -9.261 1440 1HH2 ARG 44 2HH1 ARG 44 46.798 34.152 -11.860 1441 2HH2 ARG 44 1HH1 ARG 44 45.180 33.855 -11.318 1442 H GLY 45 HN GLY 45 50.328 35.903 -6.819 1443 1HA GLY 45 1HA GLY 45 50.805 36.548 -3.975 1444 2HA GLY 45 2HA GLY 45 50.509 37.712 -5.252 1445 HA PRO 46 HA PRO 46 49.855 38.757 -3.569 1446 1HB PRO 46 2HB PRO 46 48.655 39.597 -1.261 1447 2HB PRO 46 3HB PRO 46 48.326 40.311 -2.827 1448 1HG PRO 46 2HG PRO 46 46.648 38.463 -1.244 1449 2HG PRO 46 3HG PRO 46 46.180 39.505 -2.572 1450 1HD PRO 46 2HD PRO 46 46.590 36.668 -2.679 1451 2HD PRO 46 3HD PRO 46 46.235 37.728 -4.029 1452 H ARG 47 HN ARG 47 50.784 39.297 -1.113 1453 HA ARG 47 HA ARG 47 51.051 36.848 0.287 1454 1HB ARG 47 2HB ARG 47 53.526 36.666 0.040 1455 2HB ARG 47 3HB ARG 47 52.723 36.468 -1.504 1456 1HG ARG 47 2HG ARG 47 53.162 39.266 -1.250 1457 2HG ARG 47 3HG ARG 47 54.637 38.518 -0.674 1458 1HD ARG 47 2HD ARG 47 53.975 37.025 -2.978 1459 2HD ARG 47 3HD ARG 47 53.584 38.676 -3.417 1460 HE ARG 47 HE ARG 47 56.040 39.009 -2.273 1461 1HH1 ARG 47 2HH2 ARG 47 54.885 36.701 -4.666 1462 2HH1 ARG 47 1HH2 ARG 47 56.427 36.537 -5.439 1463 1HH2 ARG 47 2HH1 ARG 47 58.073 38.792 -3.292 1464 2HH2 ARG 47 1HH1 ARG 47 58.253 37.734 -4.652 1465 H GLY 48 HN GLY 48 52.652 37.192 2.232 1466 1HA GLY 48 1HA GLY 48 52.405 40.003 3.106 1467 2HA GLY 48 2HA GLY 48 52.377 38.597 4.153 1468 HA PRO 49 HA PRO 49 56.826 39.664 2.807 1469 1HB PRO 49 2HB PRO 49 57.324 42.339 2.552 1470 2HB PRO 49 3HB PRO 49 57.031 41.284 1.183 1471 1HG PRO 49 2HG PRO 49 55.222 43.276 2.409 1472 2HG PRO 49 3HG PRO 49 55.126 42.534 0.825 1473 1HD PRO 49 2HD PRO 49 53.540 41.881 3.124 1474 2HD PRO 49 3HD PRO 49 53.525 41.063 1.574 1475 H ARG 50 HN ARG 50 58.733 40.692 4.007 1476 HA ARG 50 HA ARG 50 57.720 41.091 6.704 1477 1HB ARG 50 2HB ARG 50 60.040 40.306 7.418 1478 2HB ARG 50 3HB ARG 50 59.084 39.087 6.600 1479 1HG ARG 50 2HG ARG 50 60.363 39.195 4.628 1480 2HG ARG 50 3HG ARG 50 60.881 40.843 4.925 1481 1HD ARG 50 2HD ARG 50 62.389 40.104 6.727 1482 2HD ARG 50 3HD ARG 50 61.782 38.464 6.620 1483 HE ARG 50 HE ARG 50 63.790 39.649 4.920 1484 1HH1 ARG 50 2HH2 ARG 50 61.089 37.394 4.839 1485 2HH1 ARG 50 1HH2 ARG 50 61.713 36.497 3.495 1486 1HH2 ARG 50 2HH1 ARG 50 64.613 38.467 3.146 1487 2HH2 ARG 50 1HH1 ARG 50 63.730 37.111 2.526 1488 HA PRO 51 HA PRO 51 59.581 45.039 6.531 1489 1HB PRO 51 2HB PRO 51 59.606 45.687 9.186 1490 2HB PRO 51 3HB PRO 51 58.185 45.849 8.173 1491 1HG PRO 51 2HG PRO 51 58.778 43.798 10.218 1492 2HG PRO 51 3HG PRO 51 57.234 44.231 9.513 1493 1HD PRO 51 2HD PRO 51 58.820 41.926 8.885 1494 2HD PRO 51 3HD PRO 51 57.333 42.420 8.100 1495 H GLN 52 HN GLN 52 61.571 45.817 6.172 1496 HA GLN 52 HA GLN 52 63.690 44.162 6.896 1497 1HB GLN 52 2HB GLN 52 63.530 45.809 4.928 1498 2HB GLN 52 3HB GLN 52 63.896 47.085 6.071 1499 1HG GLN 52 2HG GLN 52 65.937 45.508 6.740 1500 2HG GLN 52 3HG GLN 52 65.656 44.796 5.162 1501 1HE2 GLN 52 1HE2 GLN 52 67.992 45.811 5.326 1502 2HE2 GLN 52 2HE2 GLN 52 68.168 47.360 4.572 1503 H THR 53 HN THR 53 63.211 43.982 9.273 1504 HA THR 53 HA THR 53 63.379 46.176 10.994 1505 HB THR 53 HB THR 53 63.854 43.172 11.275 1506 HG1 THR 53 HG1 THR 53 61.747 43.718 12.507 1507 1HG2 THR 53 1HG2 THR 53 64.658 45.194 13.144 1508 2HG2 THR 53 2HG2 THR 53 63.121 44.526 13.743 1509 3HG2 THR 53 3HG2 THR 53 64.505 43.446 13.447 1510 H SER 54 HN SER 54 64.991 47.628 10.986 1511 HA SER 54 HA SER 54 67.666 46.630 10.569 1512 1HB SER 54 2HB SER 54 66.719 49.508 10.915 1513 2HB SER 54 3HB SER 54 68.290 48.995 10.335 1514 HG SER 54 HG SER 54 67.300 49.263 8.426 1515 H LEU 55 HN LEU 55 68.915 46.078 12.315 1516 HA LEU 55 HA LEU 55 68.066 46.584 14.943 1517 1HB LEU 55 2HB LEU 55 69.719 44.817 13.756 1518 2HB LEU 55 3HB LEU 55 70.905 45.924 14.420 1519 HG LEU 55 HG LEU 55 70.494 44.061 15.930 1520 1HD1 LEU 55 1HD1 LEU 55 69.356 46.624 17.080 1521 2HD1 LEU 55 2HD1 LEU 55 70.129 45.293 17.976 1522 3HD1 LEU 55 3HD1 LEU 55 71.088 46.281 16.848 1523 1HD2 LEU 55 1HD2 LEU 55 68.463 43.361 16.709 1524 2HD2 LEU 55 2HD2 LEU 55 67.713 44.968 16.541 1525 3HD2 LEU 55 3HD2 LEU 55 67.985 43.957 15.101 1526 H LEU 56 HN LEU 56 70.954 47.850 13.128 1527 HA LEU 56 HA LEU 56 72.013 49.785 13.250 1528 1HB LEU 56 2HB LEU 56 69.425 50.505 13.273 1529 2HB LEU 56 3HB LEU 56 69.911 51.166 14.820 1530 HG LEU 56 HG LEU 56 71.925 52.101 13.253 1531 1HD1 LEU 56 1HD1 LEU 56 71.474 51.864 11.091 1532 2HD1 LEU 56 2HD1 LEU 56 69.831 51.264 11.429 1533 3HD1 LEU 56 3HD1 LEU 56 70.134 53.015 11.318 1534 1HD2 LEU 56 1HD2 LEU 56 69.315 53.595 13.419 1535 2HD2 LEU 56 2HD2 LEU 56 70.293 53.261 14.868 1536 3HD2 LEU 56 3HD2 LEU 56 70.978 54.215 13.530 Start of MODEL 6 1 1H5* G 276 1H5* G 276 51.493 7.046 -22.526 2 2H5* G 276 2H5* G 276 52.977 6.095 -22.581 3 H4* G 276 H4* G 276 53.505 8.446 -22.590 4 H3* G 276 H3* G 276 54.293 6.896 -20.143 5 H2* G 276 H2* G 276 55.322 8.825 -19.222 6 2HO* G 276 2HO* G 276 56.039 9.397 -21.415 7 H1* G 276 H1* G 276 53.153 10.490 -19.687 8 H8 G 276 H8 G 276 51.667 7.218 -18.879 9 H1 G 276 H1 G 276 53.834 10.319 -13.628 10 1H2 G 276 1H2 G 276 54.999 11.920 -14.205 11 2H2 G 276 2H2 G 276 55.337 12.357 -15.865 12 1H5* G 277 1H5* G 277 57.868 8.921 -20.568 13 2H5* G 277 2H5* G 277 59.062 7.663 -20.885 14 H4* G 277 H4* G 277 59.923 8.857 -19.073 15 H3* G 277 H3* G 277 58.574 6.339 -18.095 16 H2* G 277 H2* G 277 59.413 6.795 -15.927 17 2HO* G 277 2HO* G 277 61.125 8.299 -15.760 18 H1* G 277 H1* G 277 58.730 9.553 -16.108 19 H8 G 277 H8 G 277 55.945 7.414 -17.321 20 H1 G 277 H1 G 277 56.117 7.952 -10.874 21 1H2 G 277 1H2 G 277 57.891 8.834 -10.302 22 2H2 G 277 2H2 G 277 59.147 9.352 -11.408 23 1H5* C 278 1H5* C 278 62.427 6.800 -17.199 24 2H5* C 278 2H5* C 278 63.606 5.522 -16.899 25 H4* C 278 H4* C 278 63.407 6.891 -14.940 26 H3* C 278 H3* C 278 62.254 4.120 -14.671 27 H2* C 278 H2* C 278 61.910 4.522 -12.356 28 2HO* C 278 2HO* C 278 63.197 6.053 -11.427 29 H1* C 278 H1* C 278 60.774 7.060 -12.801 30 1H4 C 278 1H4 C 278 55.828 3.053 -12.168 31 2H4 C 278 2H4 C 278 55.919 2.717 -13.882 32 H5 C 278 H5 C 278 57.627 3.534 -15.294 33 H6 C 278 H6 C 278 59.690 4.887 -15.409 34 1H5* G 279 1H5* G 279 65.936 4.216 -12.049 35 2H5* G 279 2H5* G 279 66.485 2.568 -11.747 36 H4* G 279 H4* G 279 65.821 3.763 -9.696 37 H3* G 279 H3* G 279 64.325 1.263 -10.470 38 H2* G 279 H2* G 279 63.207 1.335 -8.370 39 2HO* G 279 2HO* G 279 65.153 2.082 -7.317 40 H1* G 279 H1* G 279 62.597 4.076 -8.647 41 H8 G 279 H8 G 279 62.025 2.574 -11.945 42 H1 G 279 H1 G 279 57.268 1.207 -7.775 43 1H2 G 279 1H2 G 279 57.860 1.712 -5.866 44 2H2 G 279 2H2 G 279 59.414 2.403 -5.456 45 1H5* G 280 1H5* G 280 66.246 -0.102 -6.338 46 2H5* G 280 2H5* G 280 66.580 -1.759 -6.842 47 H4* G 280 H4* G 280 65.209 -1.582 -4.783 48 H3* G 280 H3* G 280 64.181 -3.053 -7.190 49 H2* G 280 H2* G 280 62.241 -3.701 -5.984 50 2HO* G 280 2HO* G 280 63.673 -3.902 -4.063 51 H1* G 280 H1* G 280 61.698 -1.142 -5.045 52 H8 G 280 H8 G 280 63.039 -0.612 -8.427 53 H1 G 280 H1 G 280 56.929 -2.743 -8.507 54 1H2 G 280 1H2 G 280 56.406 -3.405 -6.625 55 2H2 G 280 2H2 G 280 57.464 -3.387 -5.234 56 1H5* U 281 1H5* U 281 63.214 -5.796 -4.362 57 2H5* U 281 2H5* U 281 64.066 -7.292 -4.744 58 H4* U 281 H4* U 281 61.773 -7.834 -4.527 59 H3* U 281 H3* U 281 62.653 -7.765 -7.415 60 H2* U 281 H2* U 281 60.551 -8.664 -8.022 61 2HO* U 281 2HO* U 281 59.949 -10.105 -6.514 62 H1* U 281 H1* U 281 59.161 -6.945 -6.216 63 H3 U 281 H3 U 281 57.634 -5.812 -10.361 64 H5 U 281 H5 U 281 61.400 -4.001 -10.093 65 H6 U 281 H6 U 281 61.733 -5.231 -7.998 66 2HO* AP7 282 2HO* A 282 58.337 -13.559 -10.808 67 H2* AP7 282 H2* A 282 59.650 -11.956 -11.470 68 H3* AP7 282 H3* A 282 61.624 -12.090 -10.178 69 H4* AP7 282 H4* A 282 59.925 -12.781 -7.779 70 H1* AP7 282 H1* A 282 58.253 -10.581 -9.379 71 H8 AP7 282 H8 A 282 61.662 -9.241 -10.205 72 H2 AP7 282 H2 A 282 55.829 -8.433 -12.788 73 H1 AP7 282 H1 A 282 56.930 -6.780 -13.863 74 1H6 AP7 282 1H6 A 282 58.815 -5.530 -14.337 75 2H6 AP7 282 2H6 A 282 60.341 -5.868 -13.552 76 2H5* AP7 282 2H5* A 282 62.339 -13.006 -7.513 77 1H5* AP7 282 1H5* A 282 61.682 -11.739 -6.478 78 1H5* C 283 1H5* C 283 59.542 -15.743 -11.240 79 2H5* C 283 2H5* C 283 60.217 -16.525 -12.670 80 H4* C 283 H4* C 283 57.989 -15.494 -13.031 81 H3* C 283 H3* C 283 60.340 -14.575 -14.682 82 H2* C 283 H2* C 283 58.853 -13.297 -16.016 83 2HO* C 283 2HO* C 283 56.687 -13.870 -15.973 84 H1* C 283 H1* C 283 57.485 -12.272 -13.759 85 1H4 C 283 1H4 C 283 61.585 -7.707 -15.586 86 2H4 C 283 2H4 C 283 62.788 -8.422 -14.537 87 H5 C 283 H5 C 283 62.484 -10.463 -13.387 88 H6 C 283 H6 C 283 60.934 -12.336 -12.956 89 1H5* U 284 1H5* U 284 57.587 -15.445 -17.097 90 2H5* U 284 2H5* U 284 57.734 -16.843 -18.162 91 H4* U 284 H4* U 284 57.004 -15.323 -19.675 92 H3* U 284 H3* U 284 59.998 -15.049 -19.655 93 H2* U 284 H2* U 284 59.856 -13.368 -21.327 94 2HO* U 284 2HO* U 284 58.146 -14.477 -22.422 95 H1* U 284 H1* U 284 57.857 -11.936 -20.009 96 H3 U 284 H3 U 284 61.497 -9.310 -19.416 97 H5 U 284 H5 U 284 62.107 -12.479 -16.747 98 H6 U 284 H6 U 284 60.139 -13.559 -17.735 99 1H5* A 285 1H5* A 285 59.121 -15.530 -24.269 100 2H5* A 285 2H5* A 285 60.711 -16.151 -24.712 101 H4* A 285 H4* A 285 59.888 -13.885 -25.674 102 H3* A 285 H3* A 285 62.653 -14.475 -24.641 103 H2* A 285 H2* A 285 63.350 -12.305 -25.305 104 2HO* A 285 2HO* A 285 61.991 -12.507 -27.230 105 H1* A 285 H1* A 285 61.136 -11.037 -24.150 106 H8 A 285 H8 A 285 62.108 -13.735 -21.834 107 1H6 A 285 1H6 A 285 66.500 -9.918 -19.579 108 2H6 A 285 2H6 A 285 65.663 -11.431 -19.311 109 H2 A 285 H2 A 285 64.860 -8.109 -23.290 110 1H5* G 286 1H5* G 286 63.525 -12.763 -28.485 111 2H5* G 286 2H5* G 286 64.710 -13.840 -29.223 112 H4* G 286 H4* G 286 65.595 -11.609 -29.150 113 H3* G 286 H3* G 286 66.922 -13.546 -27.254 114 H2* G 286 H2* G 286 68.560 -11.897 -26.797 115 2HO* G 286 2HO* G 286 68.152 -9.851 -28.229 116 H1* G 286 H1* G 286 66.591 -9.841 -26.602 117 H8 G 286 H8 G 286 65.515 -12.828 -24.697 118 H1 G 286 H1 G 286 69.766 -9.178 -21.461 119 1H2 G 286 1H2 G 286 70.585 -7.780 -22.737 120 2H2 G 286 2H2 G 286 70.181 -7.620 -24.431 121 1H5* U 287 1H5* U 287 69.561 -12.050 -30.091 122 2H5* U 287 2H5* U 287 71.047 -12.923 -30.463 123 H4* U 287 H4* U 287 71.509 -10.752 -29.457 124 H3* U 287 H3* U 287 72.304 -13.189 -27.864 125 H2* U 287 H2* U 287 73.429 -11.767 -26.340 126 2HO* U 287 2HO* U 287 73.837 -9.607 -27.023 127 H1* U 287 H1* U 287 71.275 -9.911 -26.285 128 H3 U 287 H3 U 287 71.689 -11.650 -22.063 129 H5 U 287 H5 U 287 69.465 -14.481 -24.204 130 H6 U 287 H6 U 287 69.970 -13.197 -26.232 131 1H5* U 288 1H5* U 288 75.539 -11.148 -28.217 132 2H5* U 288 2H5* U 288 77.023 -11.913 -28.781 133 H4* U 288 H4* U 288 77.575 -11.019 -26.700 134 H3* U 288 H3* U 288 77.024 -13.969 -26.476 135 H2* U 288 H2* U 288 77.576 -13.910 -24.189 136 2HO* U 288 2HO* U 288 79.268 -12.584 -23.899 137 H1* U 288 H1* U 288 76.250 -11.358 -23.859 138 H3 U 288 H3 U 288 74.235 -14.007 -20.761 139 H5 U 288 H5 U 288 72.727 -15.370 -24.423 140 H6 U 288 H6 U 288 74.348 -13.897 -25.526 141 1H5* G 289 1H5* G 289 81.123 -13.724 -24.612 142 2H5* G 289 2H5* G 289 81.912 -15.091 -25.399 143 H4* G 289 H4* G 289 82.100 -15.376 -23.039 144 H3* G 289 H3* G 289 80.263 -17.273 -24.439 145 H2* G 289 H2* G 289 79.719 -18.365 -22.402 146 2HO* G 289 2HO* G 289 80.961 -17.356 -20.480 147 H1* G 289 H1* G 289 79.208 -15.964 -21.045 148 H8 G 289 H8 G 289 78.147 -16.506 -24.680 149 H1 G 289 H1 G 289 73.511 -17.473 -20.270 150 1H2 G 289 1H2 G 289 74.310 -17.285 -18.378 151 2H2 G 289 2H2 G 289 75.986 -16.920 -18.037 152 1H5* A 290 1H5* A 290 80.730 -21.464 -24.797 153 2H5* A 290 2H5* A 290 79.480 -20.462 -24.060 154 H4* A 290 H4* A 290 79.591 -22.854 -23.280 155 H3* A 290 H3* A 290 79.604 -20.514 -21.407 156 H2* A 290 H2* A 290 79.650 -21.967 -19.530 157 2HO* A 290 2HO* A 290 79.581 -24.134 -21.409 158 H1* A 290 H1* A 290 81.742 -23.516 -20.490 159 H8 A 290 H8 A 290 81.727 -19.776 -21.252 160 1H6 A 290 1H6 A 290 85.535 -19.232 -16.337 161 2H6 A 290 2H6 A 290 84.783 -18.356 -17.652 162 H2 A 290 H2 A 290 84.219 -23.467 -16.614 163 1H5* G 291 1H5* G 291 77.891 -22.897 -18.825 164 2H5* G 291 2H5* G 291 76.403 -22.077 -18.348 165 H4* G 291 H4* G 291 78.010 -22.410 -16.491 166 H3* G 291 H3* G 291 77.081 -19.654 -17.235 167 H2* G 291 H2* G 291 78.302 -18.732 -15.420 168 2HO* G 291 2HO* G 291 78.961 -21.464 -14.802 169 H1* G 291 H1* G 291 80.652 -20.089 -16.017 170 H8 G 291 H8 G 291 78.488 -18.933 -18.929 171 H1 G 291 H1 G 291 83.152 -14.803 -17.180 172 1H2 G 291 1H2 G 291 84.079 -15.492 -15.472 173 2H2 G 291 2H2 G 291 83.655 -16.971 -14.638 174 1H5* A 292 1H5* A 292 74.195 -21.235 -13.782 175 2H5* A 292 2H5* A 292 72.898 -20.057 -13.578 176 H4* A 292 H4* A 292 74.721 -19.858 -11.908 177 H3* A 292 H3* A 292 73.969 -17.550 -13.665 178 H2* A 292 H2* A 292 75.580 -16.165 -12.616 179 2HO* A 292 2HO* A 292 75.047 -17.188 -10.553 180 H1* A 292 H1* A 292 77.588 -18.166 -12.746 181 H8 A 292 H8 A 292 75.272 -17.347 -15.676 182 1H6 A 292 1H6 A 292 80.053 -14.006 -17.898 183 2H6 A 292 2H6 A 292 78.433 -14.568 -18.246 184 H2 A 292 H2 A 292 81.187 -15.560 -13.894 185 1H5* A 293 1H5* A 293 73.697 -13.776 -10.059 186 2H5* A 293 2H5* A 293 72.848 -13.665 -11.600 187 H4* A 293 H4* A 293 75.533 -12.818 -10.881 188 H3* A 293 H3* A 293 73.493 -12.142 -12.952 189 H2* A 293 H2* A 293 75.131 -11.292 -14.433 190 2HO* A 293 2HO* A 293 77.146 -10.758 -13.560 191 H1* A 293 H1* A 293 76.825 -13.440 -14.286 192 H8 A 293 H8 A 293 73.472 -14.903 -13.758 193 1H6 A 293 1H6 A 293 72.741 -14.857 -19.956 194 2H6 A 293 2H6 A 293 72.064 -15.443 -18.453 195 H2 A 293 H2 A 293 76.372 -12.495 -18.967 196 1H5* A 294 1H5* A 294 76.263 -9.039 -13.025 197 2H5* A 294 2H5* A 294 75.411 -7.541 -12.648 198 H4* A 294 H4* A 294 76.681 -7.102 -14.579 199 H3* A 294 H3* A 294 73.763 -7.486 -15.177 200 H2* A 294 H2* A 294 74.153 -6.992 -17.466 201 2HO* A 294 2HO* A 294 75.717 -5.486 -17.572 202 H1* A 294 H1* A 294 76.312 -8.728 -17.701 203 H8 A 294 H8 A 294 73.765 -10.177 -15.377 204 1H6 A 294 1H6 A 294 70.964 -12.533 -20.431 205 2H6 A 294 2H6 A 294 70.978 -12.548 -18.682 206 H2 A 294 H2 A 294 74.150 -9.746 -21.782 207 1H5* C 295 1H5* C 295 74.999 -3.971 -16.539 208 2H5* C 295 2H5* C 295 74.022 -2.503 -16.567 209 H4* C 295 H4* C 295 74.441 -3.038 -18.815 210 H3* C 295 H3* C 295 71.653 -3.817 -17.987 211 H2* C 295 H2* C 295 71.174 -4.409 -20.237 212 2HO* C 295 2HO* C 295 72.234 -2.875 -21.400 213 H1* C 295 H1* C 295 73.584 -5.852 -20.522 214 1H4 C 295 1H4 C 295 69.208 -10.314 -19.217 215 2H4 C 295 2H4 C 295 69.306 -9.903 -17.520 216 H5 C 295 H5 C 295 70.587 -8.108 -16.672 217 H6 C 295 H6 C 295 72.103 -6.247 -17.251 218 1H5* U 296 1H5* U 296 71.264 -1.162 -21.112 219 2H5* U 296 2H5* U 296 69.929 -0.012 -21.032 220 H4* U 296 H4* U 296 69.649 -1.348 -22.986 221 H3* U 296 H3* U 296 67.695 -1.993 -20.784 222 H2* U 296 H2* U 296 66.564 -3.462 -22.249 223 2HO* U 296 2HO* U 296 68.348 -2.282 -24.179 224 H1* U 296 H1* U 296 69.033 -4.506 -23.267 225 H3 U 296 H3 U 296 66.770 -8.047 -21.451 226 H5 U 296 H5 U 296 68.500 -6.072 -18.187 227 H6 U 296 H6 U 296 69.117 -4.270 -19.731 228 1H5* A 297 1H5* A 297 65.538 -0.547 -24.256 229 2H5* A 297 2H5* A 297 63.992 0.210 -23.869 230 H4* A 297 H4* A 297 63.683 -1.693 -25.342 231 H3* A 297 H3* A 297 62.546 -1.894 -22.566 232 H2* A 297 H2* A 297 61.555 -3.984 -23.122 233 2HO* A 297 2HO* A 297 61.143 -3.141 -25.302 234 H1* A 297 H1* A 297 63.947 -4.965 -24.253 235 H8 A 297 H8 A 297 64.898 -3.172 -21.188 236 1H6 A 297 1H6 A 297 63.321 -8.272 -17.955 237 2H6 A 297 2H6 A 297 64.123 -6.721 -17.853 238 H2 A 297 H2 A 297 61.847 -8.755 -22.119 239 1H5* G 298 1H5* G 298 59.155 -3.266 -25.282 240 2H5* G 298 2H5* G 298 57.838 -2.325 -24.580 241 H4* G 298 H4* G 298 57.277 -4.688 -24.679 242 H3* G 298 H3* G 298 57.534 -3.416 -21.972 243 H2* G 298 H2* G 298 56.849 -5.446 -20.936 244 2HO* G 298 2HO* G 298 55.379 -5.772 -22.797 245 H1* G 298 H1* G 298 58.648 -6.980 -22.493 246 H8 G 298 H8 G 298 60.484 -3.986 -21.433 247 H1 G 298 H1 G 298 59.883 -8.307 -16.654 248 1H2 G 298 1H2 G 298 58.499 -9.739 -17.189 249 2H2 G 298 2H2 G 298 57.630 -9.764 -18.707 250 1H5* C 299 1H5* C 299 53.878 -5.163 -21.678 251 2H5* C 299 2H5* C 299 52.747 -4.217 -20.712 252 H4* C 299 H4* C 299 53.399 -6.406 -19.714 253 H3* C 299 H3* C 299 53.789 -3.827 -18.227 254 H2* C 299 H2* C 299 54.611 -4.992 -16.348 255 2HO* C 299 2HO* C 299 52.938 -6.624 -16.707 256 H1* C 299 H1* C 299 56.159 -6.764 -18.004 257 1H4 C 299 1H4 C 299 60.327 -2.798 -15.189 258 2H4 C 299 2H4 C 299 60.090 -1.679 -16.513 259 H5 C 299 H5 C 299 58.480 -1.976 -18.215 260 H6 C 299 H6 C 299 56.683 -3.435 -19.074 261 1H5* U 300 1H5* U 300 51.141 -6.859 -15.971 262 2H5* U 300 2H5* U 300 49.963 -5.906 -15.069 263 H4* U 300 H4* U 300 51.006 -7.578 -13.651 264 H3* U 300 H3* U 300 51.564 -4.693 -13.005 265 H2* U 300 H2* U 300 52.729 -5.361 -11.054 266 2HO* U 300 2HO* U 300 51.709 -7.947 -11.812 267 H1* U 300 H1* U 300 54.214 -7.339 -12.340 268 H3 U 300 H3 U 300 57.213 -4.017 -11.518 269 H5 U 300 H5 U 300 55.120 -2.710 -14.902 270 H6 U 300 H6 U 300 53.602 -4.607 -14.576 271 1H5* C 301 1H5* C 301 48.911 -6.034 -9.683 272 2H5* C 301 2H5* C 301 48.384 -4.652 -8.724 273 H4* C 301 H4* C 301 50.100 -6.080 -7.626 274 H3* C 301 H3* C 301 50.551 -3.146 -8.055 275 H2* C 301 H2* C 301 52.642 -3.265 -6.959 276 2HO* C 301 2HO* C 301 52.241 -6.037 -6.460 277 H1* C 301 H1* C 301 53.338 -5.685 -8.317 278 1H4 C 301 1H4 C 301 56.727 -1.050 -11.140 279 2H4 C 301 2H4 C 301 55.354 -0.716 -12.169 280 H5 C 301 H5 C 301 53.241 -1.743 -11.919 281 H6 C 301 H6 C 301 51.915 -3.360 -10.606 282 1H5* U 302 1H5* U 302 51.633 -3.593 -4.672 283 2H5* U 302 2H5* U 302 50.790 -2.939 -3.267 284 H4* U 302 H4* U 302 52.768 -2.014 -2.784 285 H3* U 302 H3* U 302 51.679 -0.142 -4.862 286 H2* U 302 H2* U 302 53.682 1.131 -4.798 287 2HO* U 302 2HO* U 302 55.153 -0.284 -3.036 288 H1* U 302 H1* U 302 55.343 -1.110 -5.002 289 H3 U 302 H3 U 302 55.962 0.262 -9.216 290 H5 U 302 H5 U 302 51.828 -0.391 -9.080 291 H6 U 302 H6 U 302 52.088 -0.914 -6.699 292 1H5* G 303 1H5* G 303 52.734 2.198 -1.583 293 2H5* G 303 2H5* G 303 51.899 3.739 -1.386 294 H4* G 303 H4* G 303 54.182 4.163 -1.965 295 H3* G 303 H3* G 303 52.234 4.768 -4.194 296 H2* G 303 H2* G 303 54.004 5.769 -5.393 297 2HO* G 303 2HO* G 303 55.484 5.371 -2.954 298 H1* G 303 H1* G 303 55.827 3.687 -4.624 299 H8 G 303 H8 G 303 52.633 2.333 -5.951 300 H1 G 303 H1 G 303 56.813 4.000 -10.601 301 1H2 G 303 1H2 G 303 58.370 5.070 -9.776 302 2H2 G 303 2H2 G 303 58.522 5.458 -8.076 303 1H5* U 304 1H5* U 304 54.140 7.888 -2.402 304 2H5* U 304 2H5* U 304 53.744 9.607 -2.399 305 H4* U 304 H4* U 304 55.803 9.292 -3.575 306 H3* U 304 H3* U 304 53.463 10.021 -5.328 307 H2* U 304 H2* U 304 54.940 10.216 -7.173 308 2HO* U 304 2HO* U 304 57.043 10.661 -6.693 309 H1* U 304 H1* U 304 56.261 7.792 -6.558 310 H3 U 304 H3 U 304 54.063 7.213 -10.545 311 H5 U 304 H5 U 304 51.184 6.515 -7.584 312 H6 U 304 H6 U 304 52.812 7.339 -5.945 313 1H5* A 305 1H5* A 305 55.622 13.943 -3.575 314 2H5* A 305 2H5* A 305 54.740 15.403 -4.024 315 H4* A 305 H4* A 305 56.708 14.995 -5.443 316 H3* A 305 H3* A 305 53.975 15.076 -6.687 317 H2* A 305 H2* A 305 54.918 14.803 -8.839 318 2HO* A 305 2HO* A 305 57.375 15.133 -7.370 319 H1* A 305 H1* A 305 56.715 12.778 -7.896 320 H8 A 305 H8 A 305 53.177 12.253 -6.825 321 1H6 A 305 1H6 A 305 52.339 9.164 -12.183 322 2H6 A 305 2H6 A 305 51.607 9.554 -10.642 323 H2 A 305 H2 A 305 56.318 11.135 -12.323 324 1H5* U 306 1H5* U 306 52.326 17.517 -4.733 325 2H5* U 306 2H5* U 306 52.167 19.209 -5.205 326 H4* U 306 H4* U 306 52.398 18.361 -2.658 327 H3* U 306 H3* U 306 53.253 20.992 -3.876 328 H2* U 306 H2* U 306 54.094 21.632 -1.835 329 2HO* U 306 2HO* U 306 52.822 20.070 -0.078 330 H1* U 306 H1* U 306 54.210 18.761 -0.988 331 H3 U 306 H3 U 306 58.278 19.196 0.779 332 H5 U 306 H5 U 306 58.407 21.937 -2.385 333 H6 U 306 H6 U 306 56.108 21.273 -2.923 334 1H5* C 307 1H5* C 307 49.732 20.258 0.097 335 2H5* C 307 2H5* C 307 48.037 19.922 -0.259 336 H4* C 307 H4* C 307 48.336 22.086 0.840 337 H3* C 307 H3* C 307 47.252 22.083 -1.973 338 H2* C 307 H2* C 307 46.858 24.409 -1.793 339 2HO* C 307 2HO* C 307 47.585 23.919 0.951 340 H1* C 307 H1* C 307 49.388 24.848 -0.535 341 1H4 C 307 1H4 C 307 49.923 26.831 -6.612 342 2H4 C 307 2H4 C 307 50.518 25.237 -7.018 343 H5 C 307 H5 C 307 50.553 23.421 -5.507 344 H6 C 307 H6 C 307 50.022 22.681 -3.212 345 1H5* U 308 1H5* U 308 43.168 19.627 -1.509 346 2H5* U 308 2H5* U 308 42.155 19.861 -0.084 347 H4* U 308 H4* U 308 43.361 17.591 -0.471 348 H3* U 308 H3* U 308 43.163 19.046 2.165 349 H2* U 308 H2* U 308 44.458 17.438 3.158 350 2HO* U 308 2HO* U 308 42.730 15.966 2.540 351 H1* U 308 H1* U 308 45.385 16.541 0.438 352 H3 U 308 H3 U 308 49.662 16.088 1.622 353 H5 U 308 H5 U 308 48.284 18.923 4.379 354 H6 U 308 H6 U 308 46.107 18.814 3.255 355 1H5* G 309 1H5* G 309 42.496 17.799 5.547 356 2H5* G 309 2H5* G 309 40.739 17.908 5.430 357 H4* G 309 H4* G 309 41.181 19.609 6.892 358 H3* G 309 H3* G 309 41.172 20.800 4.131 359 H2* G 309 H2* G 309 41.689 22.905 4.995 360 2HO* G 309 2HO* G 309 40.249 23.076 6.644 361 H1* G 309 H1* G 309 43.280 21.647 7.132 362 H8 G 309 H8 G 309 43.589 22.086 3.324 363 H1 G 309 H1 G 309 48.227 24.889 6.862 364 1H2 G 309 1H2 G 309 47.871 24.540 8.863 365 2H2 G 309 2H2 G 309 46.518 23.625 9.489 366 1H5* G 310 1H5* G 310 40.221 24.221 5.055 367 2H5* G 310 2H5* G 310 38.564 23.814 5.499 368 H4* G 310 H4* G 310 39.329 25.999 4.048 369 H3* G 310 H3* G 310 36.661 24.578 4.188 370 H2* G 310 H2* G 310 35.784 26.229 2.765 371 2HO* G 310 2HO* G 310 38.280 27.559 3.321 372 H1* G 310 H1* G 310 38.260 26.339 1.256 373 H8 G 310 H8 G 310 36.945 22.899 1.418 374 H1 G 310 H1 G 310 33.985 26.480 -3.088 375 1H2 G 310 1H2 G 310 34.488 28.464 -2.832 376 2H2 G 310 2H2 G 310 35.554 29.067 -1.582 377 1H5* C 311 1H5* C 311 36.314 28.481 5.586 378 2H5* C 311 2H5* C 311 35.335 28.807 7.015 379 H4* C 311 H4* C 311 34.434 30.228 5.428 380 H3* C 311 H3* C 311 32.782 27.706 5.502 381 H2* C 311 H2* C 311 31.245 28.725 4.003 382 2HO* C 311 2HO* C 311 31.594 30.775 5.153 383 H1* C 311 H1* C 311 33.340 29.676 2.335 384 1H4 C 311 1H4 C 311 31.106 24.477 -0.629 385 2H4 C 311 2H4 C 311 32.066 23.476 0.436 386 H5 C 311 H5 C 311 33.315 24.312 2.257 387 H6 C 311 H6 C 311 33.958 26.336 3.517 388 1H5* G 312 1H5* G 312 29.369 31.040 6.744 389 2H5* G 312 2H5* G 312 28.107 29.813 6.848 390 H4* G 312 H4* G 312 28.289 31.706 4.907 391 H3* G 312 H3* G 312 26.886 29.064 5.024 392 H2* G 312 H2* G 312 26.223 29.266 2.747 393 2HO* G 312 2HO* G 312 27.547 31.607 2.182 394 H1* G 312 H1* G 312 28.760 29.811 1.817 395 H8 G 312 H8 G 312 29.712 27.576 4.456 396 H1 G 312 H1 G 312 26.566 24.379 -0.210 397 1H2 G 312 1H2 G 312 25.610 25.728 -1.443 398 2H2 G 312 2H2 G 312 25.655 27.465 -1.244 399 1H5* G 313 1H5* G 313 24.785 31.024 1.994 400 2H5* G 313 2H5* G 313 23.323 31.482 2.868 401 H4* G 313 H4* G 313 22.516 30.564 0.897 402 H3* G 313 H3* G 313 22.411 28.541 3.112 403 H2* G 313 H2* G 313 21.437 26.948 1.652 404 2HO* G 313 2HO* G 313 21.034 27.916 -0.615 405 H1* G 313 H1* G 313 23.276 27.309 -0.382 406 H8 G 313 H8 G 313 24.893 27.780 2.977 407 H1 G 313 H1 G 313 24.587 21.609 1.049 408 1H2 G 313 1H2 G 313 23.410 21.473 -0.640 409 2H2 G 313 2H2 G 313 22.624 22.828 -1.416 410 1H5* A 314 1H5* A 314 18.869 28.715 0.554 411 2H5* A 314 2H5* A 314 17.420 28.326 1.482 412 H4* A 314 H4* A 314 17.652 26.900 -0.487 413 H3* A 314 H3* A 314 17.752 25.616 2.228 414 H2* A 314 H2* A 314 17.836 23.465 1.208 415 2HO* A 314 2HO* A 314 17.951 24.195 -1.405 416 H1* A 314 H1* A 314 19.915 24.139 -0.504 417 H8 A 314 H8 A 314 20.258 25.883 2.805 418 1H6 A 314 1H6 A 314 23.385 20.840 4.739 419 2H6 A 314 2H6 A 314 22.927 22.473 5.165 420 H2 A 314 H2 A 314 21.652 19.953 0.746 421 1H5* C 315 1H5* C 315 16.410 22.542 0.072 422 2H5* C 315 2H5* C 315 14.726 22.373 0.567 423 H4* C 315 H4* C 315 16.061 20.277 0.697 424 H3* C 315 H3* C 315 14.122 21.079 2.476 425 H2* C 315 H2* C 315 15.560 21.752 4.212 426 2HO* C 315 2HO* C 315 15.862 19.281 5.157 427 H1* C 315 H1* C 315 17.469 19.462 3.707 428 1H4 C 315 1H4 C 315 21.647 23.338 6.514 429 2H4 C 315 2H4 C 315 20.719 24.745 6.046 430 H5 C 315 H5 C 315 18.725 24.647 4.784 431 H6 C 315 H6 C 315 17.114 23.159 3.650 432 1H5* C 316 1H5* C 316 14.275 16.004 0.521 433 2H5* C 316 2H5* C 316 15.782 16.586 1.229 434 H4* C 316 H4* C 316 15.196 15.820 -1.615 435 H3* C 316 H3* C 316 17.051 14.867 0.519 436 H2* C 316 H2* C 316 18.779 14.429 -1.033 437 2HO* C 316 2HO* C 316 17.348 13.587 -2.610 438 H1* C 316 H1* C 316 18.676 16.847 -2.313 439 1H4 C 316 1H4 C 316 22.546 17.828 2.691 440 2H4 C 316 2H4 C 316 21.160 18.368 3.611 441 H5 C 316 H5 C 316 18.935 18.259 2.827 442 H6 C 316 H6 C 316 17.478 17.598 0.946 443 1H5* C 317 1H5* C 317 16.728 11.459 -1.916 444 2H5* C 317 2H5* C 317 16.443 9.960 -1.033 445 H4* C 317 H4* C 317 18.517 9.731 -2.152 446 H3* C 317 H3* C 317 18.798 10.162 0.811 447 H2* C 317 H2* C 317 21.144 9.866 0.634 448 2HO* C 317 2HO* C 317 20.191 8.800 -1.785 449 H1* C 317 H1* C 317 21.359 11.567 -1.603 450 1H4 C 317 1H4 C 317 22.888 15.241 3.394 451 2H4 C 317 2H4 C 317 21.186 15.509 3.697 452 H5 C 317 H5 C 317 19.452 14.431 2.511 453 H6 C 317 H6 C 317 18.918 12.813 0.724 454 1H5* G 318 1H5* G 318 20.773 6.785 0.021 455 2H5* G 318 2H5* G 318 20.203 5.306 0.794 456 H4* G 318 H4* G 318 22.465 5.267 1.241 457 H3* G 318 H3* G 318 21.039 6.472 3.601 458 H2* G 318 H2* G 318 23.102 6.591 4.770 459 2HO* G 318 2HO* G 318 24.566 5.531 2.618 460 H1* G 318 H1* G 318 24.476 7.728 2.612 461 H8 G 318 H8 G 318 20.928 8.951 3.055 462 H1 G 318 H1 G 318 25.347 12.300 6.393 463 1H2 G 318 1H2 G 318 27.173 11.349 6.266 464 2H2 G 318 2H2 G 318 27.463 9.866 5.386 465 1H5* U 319 1H5* U 319 22.444 3.939 5.286 466 2H5* U 319 2H5* U 319 21.915 2.899 6.608 467 H4* U 319 H4* U 319 22.198 5.802 6.494 468 H3* U 319 H3* U 319 22.170 3.689 8.635 469 H2* U 319 H2* U 319 21.905 5.402 10.281 470 2HO* U 319 2HO* U 319 22.001 7.167 8.007 471 H1* U 319 H1* U 319 19.765 6.568 8.877 472 H3 U 319 H3 U 319 17.206 4.835 12.109 473 H5 U 319 H5 U 319 19.101 1.441 10.548 474 H6 U 319 H6 U 319 20.352 2.943 9.068 475 1H5* G 320 1H5* G 320 24.935 6.173 6.874 476 2H5* G 320 2H5* G 320 25.585 5.827 5.271 477 H4* G 320 H4* G 320 27.755 5.181 6.542 478 H3* G 320 H3* G 320 26.172 6.300 8.762 479 H2* G 320 H2* G 320 27.829 7.848 9.457 480 2HO* G 320 2HO* G 320 29.653 7.319 7.451 481 H1* G 320 H1* G 320 28.216 8.994 7.012 482 H8 G 320 H8 G 320 24.735 8.061 6.612 483 H1 G 320 H1 G 320 25.401 12.947 10.804 484 1H2 G 320 1H2 G 320 27.383 13.125 11.344 485 2H2 G 320 2H2 G 320 28.672 12.102 10.751 486 1H5* G 321 1H5* G 321 30.269 6.020 10.362 487 2H5* G 321 2H5* G 321 30.066 5.099 11.853 488 H4* G 321 H4* G 321 31.285 7.145 12.279 489 H3* G 321 H3* G 321 28.569 6.862 13.513 490 H2* G 321 H2* G 321 28.794 8.967 14.593 491 2HO* G 321 2HO* G 321 30.870 9.343 15.094 492 H1* G 321 H1* G 321 29.707 10.210 12.207 493 H8 G 321 H8 G 321 26.871 8.210 11.143 494 H1 G 321 H1 G 321 24.972 13.437 14.455 495 1H2 G 321 1H2 G 321 26.594 14.269 15.416 496 2H2 G 321 2H2 G 321 28.227 13.645 15.337 497 1H5* U 322 1H5* U 322 31.001 6.377 17.417 498 2H5* U 322 2H5* U 322 29.784 5.706 18.502 499 H4* U 322 H4* U 322 30.486 8.127 18.866 500 H3* U 322 H3* U 322 27.626 7.215 18.703 501 H2* U 322 H2* U 322 26.896 9.417 19.212 502 2HO* U 322 2HO* U 322 29.720 9.910 19.506 503 H1* U 322 H1* U 322 28.702 10.563 17.340 504 H3 U 322 H3 U 322 24.552 11.547 15.733 505 H5 U 322 H5 U 322 25.145 7.528 14.716 506 H6 U 322 H6 U 322 27.182 7.586 16.082 507 1H5* G 323 1H5* G 323 27.461 7.535 23.424 508 2H5* G 323 2H5* G 323 26.610 6.007 23.646 509 H4* G 323 H4* G 323 25.272 7.830 24.484 510 H3* G 323 H3* G 323 24.234 6.419 22.043 511 H2* G 323 H2* G 323 22.235 7.719 22.151 512 2HO* G 323 2HO* G 323 21.770 8.648 24.098 513 H1* G 323 H1* G 323 23.650 10.129 22.362 514 H8 G 323 H8 G 323 25.600 8.174 19.970 515 H1 G 323 H1 G 323 20.138 10.448 17.348 516 1H2 G 323 1H2 G 323 18.897 11.146 18.839 517 2H2 G 323 2H2 G 323 19.280 11.121 20.546 518 1H5* G 324 1H5* G 324 22.050 4.337 20.795 519 2H5* G 324 2H5* G 324 22.520 5.951 21.329 520 H4* G 324 H4* G 324 20.482 6.659 20.831 521 H3* G 324 H3* G 324 19.768 4.888 23.139 522 H2* G 324 H2* G 324 17.460 5.106 22.659 523 2HO* G 324 2HO* G 324 16.973 7.043 21.810 524 H1* G 324 H1* G 324 17.690 4.571 19.959 525 H8 G 324 H8 G 324 20.263 2.349 21.109 526 H1 G 324 H1 G 324 14.435 0.256 22.989 527 1H2 G 324 1H2 G 324 13.052 1.768 22.758 528 2H2 G 324 2H2 G 324 13.418 3.366 22.146 529 1H5* A 325 1H5* A 325 17.386 8.270 23.802 530 2H5* A 325 2H5* A 325 17.571 8.870 25.450 531 H4* A 325 H4* A 325 15.271 8.499 25.159 532 H3* A 325 H3* A 325 16.609 6.404 26.819 533 H2* A 325 H2* A 325 14.584 5.201 27.078 534 2HO* A 325 2HO* A 325 12.642 6.280 26.509 535 H1* A 325 H1* A 325 13.939 5.250 24.370 536 H8 A 325 H8 A 325 17.618 4.901 24.583 537 1H6 A 325 1H6 A 325 16.739 -1.225 25.385 538 2H6 A 325 2H6 A 325 17.944 0.006 25.078 539 H2 A 325 H2 A 325 12.798 0.801 25.721 540 1H5* A 326 1H5* A 326 14.549 8.042 30.792 541 2H5* A 326 2H5* A 326 15.390 6.821 31.747 542 H4* A 326 H4* A 326 12.819 6.622 31.059 543 H3* A 326 H3* A 326 14.867 4.528 31.623 544 H2* A 326 H2* A 326 13.373 2.780 30.998 545 2HO* A 326 2HO* A 326 11.565 5.002 30.686 546 H1* A 326 H1* A 326 12.742 3.915 28.553 547 H8 A 326 H8 A 326 16.165 4.922 28.612 548 1H6 A 326 1H6 A 326 17.924 -0.974 27.566 549 2H6 A 326 2H6 A 326 18.470 0.687 27.571 550 H2 A 326 H2 A 326 13.643 -0.991 28.754 551 1H5* C 327 1H5* C 327 11.624 3.089 33.996 552 2H5* C 327 2H5* C 327 12.241 2.521 35.548 553 H4* C 327 H4* C 327 11.171 0.724 34.299 554 H3* C 327 H3* C 327 14.111 0.504 34.863 555 H2* C 327 H2* C 327 14.164 -1.648 33.866 556 2HO* C 327 2HO* C 327 11.338 -1.180 33.949 557 H1* C 327 H1* C 327 12.807 -0.866 31.571 558 1H4 C 327 1H4 C 327 19.055 -0.133 30.321 559 2H4 C 327 2H4 C 327 18.878 1.561 30.724 560 H5 C 327 H5 C 327 16.906 2.499 31.623 561 H6 C 327 H6 C 327 14.595 2.040 32.363 562 1H5* U 328 1H5* U 328 12.416 -3.168 36.213 563 2H5* U 328 2H5* U 328 12.983 -3.502 37.850 564 H4* U 328 H4* U 328 13.347 -5.403 36.371 565 H3* U 328 H3* U 328 15.751 -4.033 37.537 566 H2* U 328 H2* U 328 17.173 -5.674 36.555 567 2HO* U 328 2HO* U 328 15.912 -7.395 35.325 568 H1* U 328 H1* U 328 16.051 -5.405 34.027 569 H3 U 328 H3 U 328 20.287 -3.452 34.537 570 H5 U 328 H5 U 328 17.429 -0.400 34.769 571 H6 U 328 H6 U 328 15.718 -2.150 34.929 572 1H5* G 329 1H5* G 329 16.635 -7.697 40.091 573 2H5* G 329 2H5* G 329 17.476 -6.822 41.371 574 H4* G 329 H4* G 329 18.826 -8.346 39.784 575 H3* G 329 H3* G 329 19.616 -5.587 40.674 576 H2* G 329 H2* G 329 21.663 -5.779 39.484 577 2HO* G 329 2HO* G 329 22.379 -7.825 39.122 578 H1* G 329 H1* G 329 20.323 -6.818 37.187 579 H8 G 329 H8 G 329 18.381 -3.919 38.221 580 H1 G 329 H1 G 329 23.916 -2.182 35.353 581 1H2 G 329 1H2 G 329 25.160 -3.821 35.206 582 2H2 G 329 2H2 G 329 24.761 -5.426 35.775 583 1H5* U 330 1H5* U 330 21.789 -4.988 41.163 584 2H5* U 330 2H5* U 330 22.584 -6.378 41.904 585 H4* U 330 H4* U 330 22.698 -3.687 43.235 586 H3* U 330 H3* U 330 24.210 -4.494 40.774 587 H2* U 330 H2* U 330 26.182 -3.469 41.614 588 2HO* U 330 2HO* U 330 24.803 -1.765 42.542 589 H1* U 330 H1* U 330 26.046 -4.700 44.088 590 H3 U 330 H3 U 330 29.189 -6.477 41.063 591 H5 U 330 H5 U 330 25.906 -9.071 41.225 592 H6 U 330 H6 U 330 24.702 -7.313 42.440 593 1H5* G 331 1H5* G 331 26.848 -1.983 40.417 594 2H5* G 331 2H5* G 331 26.574 -1.385 38.782 595 H4* G 331 H4* G 331 28.553 -2.792 38.886 596 H3* G 331 H3* G 331 26.236 -3.724 37.228 597 H2* G 331 H2* G 331 27.454 -5.638 36.531 598 2HO* G 331 2HO* G 331 29.555 -4.302 37.980 599 H1* G 331 H1* G 331 28.261 -6.319 39.116 600 H8 G 331 H8 G 331 24.762 -4.919 38.938 601 H1 G 331 H1 G 331 25.121 -11.314 38.003 602 1H2 G 331 1H2 G 331 27.098 -11.877 37.845 603 2H2 G 331 2H2 G 331 28.457 -10.779 37.950 604 1H5* A 332 1H5* A 332 29.053 -2.019 33.634 605 2H5* A 332 2H5* A 332 28.211 -2.734 32.259 606 H4* A 332 H4* A 332 30.429 -3.780 33.211 607 H3* A 332 H3* A 332 28.033 -5.191 32.085 608 H2* A 332 H2* A 332 29.078 -7.299 32.442 609 2HO* A 332 2HO* A 332 31.174 -6.615 31.913 610 H1* A 332 H1* A 332 29.716 -6.765 35.089 611 H8 A 332 H8 A 332 26.461 -5.132 34.244 612 1H6 A 332 1H6 A 332 23.732 -10.558 35.679 613 2H6 A 332 2H6 A 332 23.431 -8.878 35.294 614 H2 A 332 H2 A 332 28.130 -11.191 35.603 615 1H5* A 333 1H5* A 333 28.712 -7.354 30.452 616 2H5* A 333 2H5* A 333 28.608 -7.177 28.700 617 H4* A 333 H4* A 333 26.988 -8.770 29.240 618 H3* A 333 H3* A 333 25.772 -6.071 28.759 619 H2* A 333 H2* A 333 23.598 -6.948 29.119 620 2HO* A 333 2HO* A 333 23.514 -9.342 29.379 621 H1* A 333 H1* A 333 24.235 -8.247 31.475 622 H8 A 333 H8 A 333 26.270 -5.122 31.234 623 1H6 A 333 1H6 A 333 21.420 -2.144 33.795 624 2H6 A 333 2H6 A 333 23.096 -1.978 33.321 625 H2 A 333 H2 A 333 20.137 -6.276 32.781 626 1H5* G 334 1H5* G 334 23.333 -9.599 26.740 627 2H5* G 334 2H5* G 334 22.125 -8.695 25.826 628 H4* G 334 H4* G 334 21.578 -10.134 28.031 629 H3* G 334 H3* G 334 20.203 -7.748 26.845 630 H2* G 334 H2* G 334 18.648 -7.711 28.648 631 2HO* G 334 2HO* G 334 18.718 -10.086 28.671 632 H1* G 334 H1* G 334 20.591 -7.787 30.613 633 H8 G 334 H8 G 334 22.402 -5.794 28.249 634 H1 G 334 H1 G 334 17.351 -2.498 30.597 635 1H2 G 334 1H2 G 334 16.062 -3.798 31.546 636 2H2 G 334 2H2 G 334 16.311 -5.524 31.685 637 1H5* U 335 1H5* U 335 16.944 -10.461 27.845 638 2H5* U 335 2H5* U 335 15.728 -10.288 26.581 639 H4* U 335 H4* U 335 14.936 -9.752 28.887 640 H3* U 335 H3* U 335 14.684 -7.809 26.622 641 H2* U 335 H2* U 335 13.611 -6.229 28.030 642 2HO* U 335 2HO* U 335 13.800 -7.745 30.350 643 H1* U 335 H1* U 335 15.517 -6.469 30.069 644 H3 U 335 H3 U 335 15.724 -2.382 27.833 645 H5 U 335 H5 U 335 18.562 -4.902 26.063 646 H6 U 335 H6 U 335 17.558 -6.752 27.322 647 1H5* U 336 1H5* U 336 10.366 -8.477 27.696 648 2H5* U 336 2H5* U 336 9.449 -8.183 26.219 649 H4* U 336 H4* U 336 8.923 -6.576 28.001 650 H3* U 336 H3* U 336 10.048 -5.612 25.399 651 H2* U 336 H2* U 336 9.952 -3.359 26.125 652 2HO* U 336 2HO* U 336 8.344 -2.971 27.536 653 H1* U 336 H1* U 336 11.099 -3.951 28.640 654 H3 U 336 H3 U 336 14.081 -1.326 26.351 655 H5 U 336 H5 U 336 14.760 -5.221 24.970 656 H6 U 336 H6 U 336 12.743 -5.899 26.189 657 1H5* C 337 1H5* C 337 7.073 -2.676 26.027 658 2H5* C 337 2H5* C 337 5.878 -3.064 24.789 659 H4* C 337 H4* C 337 6.128 -0.808 24.480 660 H3* C 337 H3* C 337 8.003 -2.213 22.603 661 H2* C 337 H2* C 337 8.741 -0.130 21.742 662 2HO* C 337 2HO* C 337 7.121 1.311 21.755 663 H1* C 337 H1* C 337 9.176 1.011 24.235 664 1H4 C 337 1H4 C 337 14.848 -1.582 22.958 665 2H4 C 337 2H4 C 337 14.192 -3.185 23.202 666 H5 C 337 H5 C 337 11.915 -3.619 23.656 667 H6 C 337 H6 C 337 9.685 -2.611 23.991 668 1H5* G 338 1H5* G 338 6.447 0.863 19.935 669 2H5* G 338 2H5* G 338 6.333 -0.005 18.404 670 H4* G 338 H4* G 338 7.912 1.900 18.358 671 H3* G 338 H3* G 338 8.871 -0.881 17.747 672 H2* G 338 H2* G 338 11.036 -0.069 17.289 673 2HO* G 338 2HO* G 338 9.979 1.775 16.196 674 H1* G 338 H1* G 338 10.873 1.758 19.535 675 H8 G 338 H8 G 338 10.168 -1.693 20.605 676 H1 G 338 H1 G 338 16.506 -0.549 19.966 677 1H2 G 338 1H2 G 338 16.786 1.242 18.982 678 2H2 G 338 2H2 G 338 15.497 2.279 18.414 679 1H5* G 339 1H5* G 339 11.249 0.646 15.179 680 2H5* G 339 2H5* G 339 11.047 -0.268 13.685 681 H4* G 339 H4* G 339 13.270 -0.449 14.980 682 H3* G 339 H3* G 339 11.747 -2.695 13.723 683 H2* G 339 H2* G 339 12.829 -4.220 15.017 684 2HO* G 339 2HO* G 339 15.263 -3.918 14.813 685 H1* G 339 H1* G 339 14.382 -1.904 16.267 686 H8 G 339 H8 G 339 15.237 -2.608 18.523 687 H1 G 339 H1 G 339 11.085 -7.556 18.921 688 1H2 G 339 1H2 G 339 9.828 -7.534 17.287 689 2H2 G 339 2H2 G 339 9.890 -6.350 16.000 690 1H5* A 340 1H5* A 340 13.813 0.665 11.328 691 2H5* A 340 2H5* A 340 14.858 1.920 11.995 692 H4* A 340 H4* A 340 12.229 2.241 11.427 693 H3* A 340 H3* A 340 14.074 3.697 13.283 694 H2* A 340 H2* A 340 12.271 5.039 14.084 695 2HO* A 340 2HO* A 340 11.354 4.931 11.873 696 H1* A 340 H1* A 340 10.650 2.794 14.568 697 H8 A 340 H8 A 340 13.833 1.577 15.724 698 1H6 A 340 1H6 A 340 13.251 5.076 20.859 699 2H6 A 340 2H6 A 340 14.153 3.766 20.131 700 H2 A 340 H2 A 340 10.210 6.418 17.909 701 1H5* A 341 1H5* A 341 11.300 6.907 11.769 702 2H5* A 341 2H5* A 341 12.476 8.160 11.373 703 H4* A 341 H4* A 341 10.722 8.906 12.949 704 H3* A 341 H3* A 341 13.614 9.003 13.764 705 H2* A 341 H2* A 341 13.011 10.060 15.799 706 2HO* A 341 2HO* A 341 11.134 11.201 15.764 707 H1* A 341 H1* A 341 10.964 8.268 16.389 708 H8 A 341 H8 A 341 13.799 6.482 14.726 709 1H6 A 341 1H6 A 341 16.315 5.867 20.405 710 2H6 A 341 2H6 A 341 16.454 5.375 18.732 711 H2 A 341 H2 A 341 12.830 8.606 20.717 712 1H5* C 342 1H5* C 342 12.203 12.588 14.012 713 2H5* C 342 2H5* C 342 12.999 14.077 13.504 714 H4* C 342 H4* C 342 12.642 14.036 15.911 715 H3* C 342 H3* C 342 15.436 14.116 14.857 716 H2* C 342 H2* C 342 16.343 14.121 17.060 717 2HO* C 342 2HO* C 342 14.566 15.426 17.830 718 H1* C 342 H1* C 342 14.875 11.910 17.879 719 1H4 C 342 1H4 C 342 20.467 9.796 15.492 720 2H4 C 342 2H4 C 342 19.560 9.258 14.095 721 H5 C 342 H5 C 342 17.281 9.764 13.731 722 H6 C 342 H6 C 342 15.292 10.921 14.627 723 1H5* A 343 1H5* A 343 15.638 17.099 17.814 724 2H5* A 343 2H5* A 343 16.356 18.541 17.097 725 H4* A 343 H4* A 343 17.654 17.869 19.002 726 H3* A 343 H3* A 343 18.978 17.510 16.329 727 H2* A 343 H2* A 343 20.978 16.818 17.405 728 2HO* A 343 2HO* A 343 19.484 17.542 19.759 729 H1* A 343 H1* A 343 19.701 15.000 19.082 730 H8 A 343 H8 A 343 17.993 15.015 15.766 731 1H6 A 343 1H6 A 343 22.257 10.860 13.893 732 2H6 A 343 2H6 A 343 20.757 11.648 13.455 733 H2 A 343 H2 A 343 23.496 12.431 17.861 734 1H5* C 344 1H5* C 344 21.614 20.658 18.137 735 2H5* C 344 2H5* C 344 22.238 21.597 16.782 736 H4* C 344 H4* C 344 24.031 20.460 17.966 737 H3* C 344 H3* C 344 23.492 19.665 15.124 738 H2* C 344 H2* C 344 25.357 18.184 15.167 739 2HO* C 344 2HO* C 344 26.771 18.339 16.986 740 H1* C 344 H1* C 344 24.546 17.006 17.587 741 1H4 C 344 1H4 C 344 22.242 13.092 13.104 742 2H4 C 344 2H4 C 344 20.909 14.192 12.836 743 H5 C 344 H5 C 344 20.709 16.299 13.886 744 H6 C 344 H6 C 344 21.751 17.884 15.466 745 1H5* C 345 1H5* C 345 27.918 21.190 14.599 746 2H5* C 345 2H5* C 345 28.056 20.936 12.859 747 H4* C 345 H4* C 345 29.224 19.359 14.679 748 H3* C 345 H3* C 345 28.218 18.699 11.922 749 H2* C 345 H2* C 345 28.997 16.465 12.195 750 2HO* C 345 2HO* C 345 30.843 17.362 13.420 751 H1* C 345 H1* C 345 27.792 16.191 14.713 752 1H4 C 345 1H4 C 345 23.762 13.813 10.295 753 2H4 C 345 2H4 C 345 22.829 15.280 10.487 754 H5 C 345 H5 C 345 23.542 17.135 11.763 755 H6 C 345 H6 C 345 25.345 18.048 13.183 756 1H5* C 346 1H5* C 346 31.336 16.619 11.657 757 2H5* C 346 2H5* C 346 32.433 17.215 10.412 758 H4* C 346 H4* C 346 32.080 14.986 9.846 759 H3* C 346 H3* C 346 30.253 16.726 8.182 760 H2* C 346 H2* C 346 29.657 14.811 6.941 761 2HO* C 346 2HO* C 346 31.038 12.835 7.550 762 H1* C 346 H1* C 346 29.609 13.204 9.346 763 1H4 C 346 1H4 C 346 23.531 13.829 7.411 764 2H4 C 346 2H4 C 346 23.433 15.295 8.362 765 H5 C 346 H5 C 346 25.281 16.285 9.449 766 H6 C 346 H6 C 346 27.703 16.109 9.896 767 1H5* G 347 1H5* G 347 33.620 15.176 5.592 768 2H5* G 347 2H5* G 347 33.774 16.065 4.077 769 H4* G 347 H4* G 347 33.276 13.652 3.791 770 H3* G 347 H3* G 347 31.427 15.734 2.657 771 H2* G 347 H2* G 347 30.145 14.018 1.615 772 2HO* G 347 2HO* G 347 32.234 12.357 2.702 773 H1* G 347 H1* G 347 29.981 12.506 3.974 774 H8 G 347 H8 G 347 29.544 15.852 5.255 775 H1 G 347 H1 G 347 24.354 13.958 1.886 776 1H2 G 347 1H2 G 347 24.821 12.277 0.787 777 2H2 G 347 2H2 G 347 26.387 11.497 0.781 778 1H5* G 348 1H5* G 348 32.741 14.079 -1.200 779 2H5* G 348 2H5* G 348 32.370 15.345 -2.370 780 H4* G 348 H4* G 348 30.885 13.248 -2.304 781 H3* G 348 H3* G 348 29.812 16.069 -2.374 782 H2* G 348 H2* G 348 27.639 15.169 -2.696 783 2HO* G 348 2HO* G 348 29.047 12.658 -2.822 784 H1* G 348 H1* G 348 28.059 13.206 -0.666 785 H8 G 348 H8 G 348 29.196 16.238 0.906 786 H1 G 348 H1 G 348 22.755 16.247 0.277 787 1H2 G 348 1H2 G 348 22.190 14.763 -1.038 788 2H2 G 348 2H2 G 348 23.295 13.678 -1.849 789 1H5* C 349 1H5* C 349 26.884 14.824 -4.544 790 2H5* C 349 2H5* C 349 27.100 15.655 -6.084 791 H4* C 349 H4* C 349 24.991 16.319 -5.315 792 H3* C 349 H3* C 349 27.062 18.445 -4.841 793 H2* C 349 H2* C 349 25.435 19.872 -3.927 794 2HO* C 349 2HO* C 349 23.459 17.940 -4.685 795 H1* C 349 H1* C 349 24.129 17.638 -2.607 796 1H4 C 349 1H4 C 349 26.622 21.231 2.064 797 2H4 C 349 2H4 C 349 28.157 20.429 1.815 798 H5 C 349 H5 C 349 28.574 18.899 0.066 799 H6 C 349 H6 C 349 27.611 17.751 -1.897 800 1H5* C 350 1H5* C 350 24.648 20.319 -8.213 801 2H5* C 350 2H5* C 350 25.679 21.544 -8.952 802 H4* C 350 H4* C 350 23.693 22.401 -7.670 803 H3* C 350 H3* C 350 26.494 23.343 -7.131 804 H2* C 350 H2* C 350 25.689 24.885 -5.525 805 2HO* C 350 2HO* C 350 23.009 24.165 -5.803 806 H1* C 350 H1* C 350 23.926 22.914 -4.409 807 1H4 C 350 1H4 C 350 28.712 23.488 -0.211 808 2H4 C 350 2H4 C 350 29.675 22.408 -1.195 809 H5 C 350 H5 C 350 28.997 21.596 -3.306 810 H6 C 350 H6 C 350 27.210 21.617 -5.010 811 1H5* G 351 1H5* G 351 24.749 27.104 -8.421 812 2H5* G 351 2H5* G 351 25.684 27.652 -9.812 813 H4* G 351 H4* G 351 25.765 29.450 -8.346 814 H3* G 351 H3* G 351 28.280 27.832 -8.203 815 H2* G 351 H2* G 351 29.185 29.288 -6.560 816 2HO* G 351 2HO* G 351 28.442 31.249 -7.268 817 H1* G 351 H1* G 351 26.902 29.237 -4.961 818 H8 G 351 H8 G 351 27.833 26.007 -6.732 819 H1 G 351 H1 G 351 30.305 26.655 -0.787 820 1H2 G 351 1H2 G 351 29.894 28.546 -0.073 821 2H2 G 351 2H2 G 351 29.011 29.772 -0.953 822 1H5* C 352 1H5* C 352 29.487 31.768 -8.880 823 2H5* C 352 2H5* C 352 30.949 31.956 -9.849 824 H4* C 352 H4* C 352 31.249 32.802 -7.579 825 H3* C 352 H3* C 352 32.922 30.481 -8.482 826 H2* C 352 H2* C 352 34.075 30.461 -6.415 827 2HO* C 352 2HO* C 352 33.150 33.016 -6.583 828 H1* C 352 H1* C 352 31.655 30.770 -4.933 829 1H4 C 352 1H4 C 352 33.118 24.591 -4.301 830 2H4 C 352 2H4 C 352 32.549 24.294 -5.928 831 H5 C 352 H5 C 352 31.835 25.994 -7.404 832 H6 C 352 H6 C 352 31.486 28.422 -7.684 833 1H5* A 353 1H5* A 353 35.547 34.261 -8.907 834 2H5* A 353 2H5* A 353 36.688 34.099 -10.241 835 H4* A 353 H4* A 353 37.896 34.150 -8.170 836 H3* A 353 H3* A 353 37.908 31.569 -9.676 837 H2* A 353 H2* A 353 39.248 30.520 -8.021 838 2HO* A 353 2HO* A 353 40.398 32.579 -7.746 839 H1* A 353 H1* A 353 37.645 31.404 -5.899 840 H8 A 353 H8 A 353 36.098 30.262 -9.203 841 1H6 A 353 1H6 A 353 35.113 24.819 -6.312 842 2H6 A 353 2H6 A 353 34.837 25.708 -7.794 843 H2 A 353 H2 A 353 37.390 27.462 -3.561 844 1H5* A 354 1H5* A 354 42.138 32.359 -8.713 845 2H5* A 354 2H5* A 354 43.117 31.586 -9.959 846 H4* A 354 H4* A 354 43.453 30.707 -7.644 847 H3* A 354 H3* A 354 42.669 28.883 -9.906 848 H2* A 354 H2* A 354 42.920 27.012 -8.466 849 2HO* A 354 2HO* A 354 44.203 27.288 -6.675 850 H1* A 354 H1* A 354 41.455 28.198 -6.386 851 H8 A 354 H8 A 354 39.792 29.059 -9.578 852 1H6 A 354 1H6 A 354 36.932 23.519 -9.293 853 2H6 A 354 2H6 A 354 36.967 25.055 -10.130 854 H2 A 354 H2 A 354 40.101 23.609 -6.180 855 1H5* C 355 1H5* C 355 46.606 27.000 -8.902 856 2H5* C 355 2H5* C 355 47.268 26.661 -10.501 857 H4* C 355 H4* C 355 47.053 24.630 -9.176 858 H3* C 355 H3* C 355 45.357 24.863 -11.649 859 H2* C 355 H2* C 355 44.606 22.635 -11.338 860 2HO* C 355 2HO* C 355 46.486 22.634 -9.155 861 H1* C 355 H1* C 355 44.131 23.035 -8.574 862 1H4 C 355 1H4 C 355 38.402 23.576 -11.356 863 2H4 C 355 2H4 C 355 38.760 25.248 -11.723 864 H5 C 355 H5 C 355 40.855 26.263 -11.321 865 H6 C 355 H6 C 355 43.143 25.920 -10.458 866 1H5* C 356 1H5* C 356 48.247 21.772 -11.973 867 2H5* C 356 2H5* C 356 48.624 21.034 -13.529 868 H4* C 356 H4* C 356 47.411 19.495 -12.085 869 H3* C 356 H3* C 356 46.009 20.410 -14.593 870 H2* C 356 H2* C 356 44.284 18.836 -14.159 871 2HO* C 356 2HO* C 356 45.208 17.815 -11.801 872 H1* C 356 H1* C 356 44.106 19.574 -11.436 873 1H4 C 356 1H4 C 356 39.346 22.764 -14.246 874 2H4 C 356 2H4 C 356 40.493 23.947 -14.834 875 H5 C 356 H5 C 356 42.832 23.761 -14.561 876 H6 C 356 H6 C 356 44.664 22.380 -13.648 877 1H5* C 357 1H5* C 357 46.486 16.616 -14.325 878 2H5* C 357 2H5* C 357 47.592 15.604 -15.254 879 H4* C 357 H4* C 357 45.824 14.197 -15.209 880 H3* C 357 H3* C 357 45.424 15.934 -17.608 881 H2* C 357 H2* C 357 43.308 14.969 -18.055 882 2HO* C 357 2HO* C 357 44.263 12.887 -17.327 883 H1* C 357 H1* C 357 42.321 15.245 -15.507 884 1H4 C 357 1H4 C 357 40.933 20.795 -18.367 885 2H4 C 357 2H4 C 357 42.467 21.429 -17.817 886 H5 C 357 H5 C 357 44.108 20.135 -16.717 887 H6 C 357 H6 C 357 44.687 17.890 -15.866 888 1H5* U 358 1H5* U 358 43.062 12.773 -18.917 889 2H5* U 358 2H5* U 358 44.113 12.093 -20.159 890 H4* U 358 H4* U 358 42.116 12.430 -21.278 891 H3* U 358 H3* U 358 43.986 14.717 -21.814 892 H2* U 358 H2* U 358 42.390 15.715 -23.254 893 2HO* U 358 2HO* U 358 40.446 14.356 -23.689 894 H1* U 358 H1* U 358 40.273 15.209 -21.396 895 H3 U 358 H3 U 358 40.156 19.711 -21.441 896 H5 U 358 H5 U 358 43.888 18.870 -19.739 897 H6 U 358 H6 U 358 43.460 16.502 -20.213 898 1H5* G 359 1H5* G 359 42.590 12.661 -24.933 899 2H5* G 359 2H5* G 359 43.309 12.295 -26.501 900 H4* G 359 H4* G 359 41.382 13.531 -26.984 901 H3* G 359 H3* G 359 43.823 15.303 -27.133 902 H2* G 359 H2* G 359 42.453 17.024 -28.008 903 2HO* G 359 2HO* G 359 41.223 15.734 -29.379 904 H1* G 359 H1* G 359 40.380 16.474 -26.117 905 H8 G 359 H8 G 359 43.705 16.653 -24.473 906 H1 G 359 H1 G 359 41.060 22.470 -25.500 907 1H2 G 359 1H2 G 359 39.422 22.273 -26.736 908 2H2 G 359 2H2 G 359 38.849 20.758 -27.395 909 1H5* G 360 1H5* G 360 42.132 14.327 -30.887 910 2H5* G 360 2H5* G 360 43.063 14.175 -32.378 911 H4* G 360 H4* G 360 41.494 15.839 -32.833 912 H3* G 360 H3* G 360 44.158 17.067 -32.151 913 H2* G 360 H2* G 360 43.276 19.209 -32.690 914 2HO* G 360 2HO* G 360 40.965 17.664 -33.451 915 H1* G 360 H1* G 360 40.939 18.788 -31.177 916 H8 G 360 H8 G 360 43.930 17.427 -29.409 917 H1 G 360 H1 G 360 43.107 23.789 -28.559 918 1H2 G 360 1H2 G 360 41.652 24.474 -29.851 919 2H2 G 360 2H2 G 360 40.784 23.474 -30.993 920 1H5* G 361 1H5* G 361 43.527 17.434 -36.406 921 2H5* G 361 2H5* G 361 44.917 17.476 -37.492 922 H4* G 361 H4* G 361 43.976 19.635 -37.536 923 H3* G 361 H3* G 361 46.489 19.505 -35.890 924 H2* G 361 H2* G 361 46.393 21.857 -35.566 925 2HO* G 361 2HO* G 361 44.182 21.614 -37.397 926 H1* G 361 H1* G 361 43.653 21.793 -34.889 927 H8 G 361 H8 G 361 45.465 18.941 -33.320 928 H1 G 361 H1 G 361 46.024 24.470 -30.005 929 1H2 G 361 1H2 G 361 45.296 26.031 -31.140 930 2H2 G 361 2H2 G 361 44.632 25.865 -32.750 931 1H5* A 362 1H5* A 362 46.818 21.563 -39.601 932 2H5* A 362 2H5* A 362 48.284 21.685 -40.574 933 H4* A 362 H4* A 362 47.671 23.890 -40.008 934 H3* A 362 H3* A 362 50.010 22.881 -38.415 935 H2* A 362 H2* A 362 50.232 25.005 -37.378 936 2HO* A 362 2HO* A 362 48.009 26.040 -38.776 937 H1* A 362 H1* A 362 47.529 25.215 -36.743 938 H8 A 362 H8 A 362 48.367 21.649 -36.328 939 1H6 A 362 1H6 A 362 50.669 23.073 -30.704 940 2H6 A 362 2H6 A 362 50.209 21.751 -31.755 941 H2 A 362 H2 A 362 49.895 26.864 -32.890 942 1H5* G 363 1H5* G 363 50.842 26.944 -39.247 943 2H5* G 363 2H5* G 363 52.582 27.047 -39.513 944 H4* G 363 H4* G 363 51.480 28.241 -37.473 945 H3* G 363 H3* G 363 54.095 26.765 -37.517 946 H2* G 363 H2* G 363 54.455 27.298 -35.233 947 2HO* G 363 2HO* G 363 52.067 28.860 -35.638 948 H1* G 363 H1* G 363 51.919 26.517 -34.411 949 H8 G 363 H8 G 363 52.770 24.123 -37.060 950 H1 G 363 H1 G 363 55.900 22.878 -31.534 951 1H2 G 363 1H2 G 363 55.702 24.483 -30.254 952 2H2 G 363 2H2 G 363 54.820 25.948 -30.623 953 1H5* A 364 1H5* A 364 56.133 29.178 -36.083 954 2H5* A 364 2H5* A 364 56.472 30.513 -37.185 955 H4* A 364 H4* A 364 58.367 28.287 -36.402 956 H3* A 364 H3* A 364 57.939 30.966 -35.310 957 H2* A 364 H2* A 364 59.716 31.865 -36.453 958 2HO* A 364 2HO* A 364 60.926 29.811 -34.835 959 H1* A 364 H1* A 364 60.640 28.985 -36.966 960 H8 A 364 H8 A 364 62.939 30.644 -37.265 961 1H6 A 364 1H6 A 364 62.738 32.605 -43.187 962 2H6 A 364 2H6 A 364 63.775 32.414 -41.791 963 H2 A 364 H2 A 364 58.700 31.122 -42.076 964 1H5* G 365 1H5* G 365 59.569 30.749 -30.866 965 2H5* G 365 2H5* G 365 60.393 30.488 -32.402 966 H4* G 365 H4* G 365 61.115 28.217 -31.271 967 H3* G 365 H3* G 365 59.990 29.669 -28.983 968 H2* G 365 H2* G 365 62.050 30.326 -28.222 969 2HO* G 365 2HO* G 365 62.401 28.649 -26.888 970 H1* G 365 H1* G 365 63.250 28.271 -30.157 971 H8 G 365 H8 G 365 65.733 28.598 -30.372 972 H1 G 365 H1 G 365 65.508 34.529 -27.792 973 1H2 G 365 1H2 G 365 63.545 35.051 -27.434 974 2H2 G 365 2H2 G 365 62.165 34.034 -27.782 975 1H5* G 366 1H5* G 366 59.389 25.328 -25.359 976 2H5* G 366 2H5* G 366 57.968 25.870 -26.249 977 H4* G 366 H4* G 366 58.539 26.743 -23.812 978 H3* G 366 H3* G 366 56.964 27.848 -25.987 979 H2* G 366 H2* G 366 57.998 29.908 -25.897 980 2HO* G 366 2HO* G 366 57.163 30.794 -23.623 981 H1* G 366 H1* G 366 58.939 29.124 -23.083 982 H8 G 366 H8 G 366 61.297 29.958 -25.857 983 H1 G 366 H1 G 366 60.449 34.795 -21.641 984 1H2 G 366 1H2 G 366 58.886 34.340 -20.377 985 2H2 G 366 2H2 G 366 57.944 32.868 -20.448 986 1H5* U 367 1H5* U 367 54.695 29.640 -24.628 987 2H5* U 367 2H5* U 367 53.159 28.916 -24.152 988 H4* U 367 H4* U 367 53.404 30.801 -26.052 989 H3* U 367 H3* U 367 51.352 28.649 -25.668 990 H2* U 367 H2* U 367 50.260 29.280 -27.680 991 2HO* U 367 2HO* U 367 50.433 31.432 -27.913 992 H1* U 367 H1* U 367 52.566 29.288 -29.211 993 H3 U 367 H3 U 367 50.812 25.377 -30.580 994 H5 U 367 H5 U 367 51.943 24.576 -26.628 995 H6 U 367 H6 U 367 52.524 26.948 -26.417 996 1H5* C 368 1H5* C 368 49.366 32.028 -26.330 997 2H5* C 368 2H5* C 368 47.919 32.429 -25.406 998 H4* C 368 H4* C 368 47.382 32.241 -27.751 999 H3* C 368 H3* C 368 46.237 30.086 -25.978 1000 H2* C 368 H2* C 368 44.972 29.297 -27.822 1001 2HO* C 368 2HO* C 368 46.005 31.287 -29.535 1002 H1* C 368 H1* C 368 47.180 29.459 -29.588 1003 1H4 C 368 1H4 C 368 46.869 23.301 -27.923 1004 2H4 C 368 2H4 C 368 47.713 23.675 -26.436 1005 H5 C 368 H5 C 368 48.268 25.866 -25.754 1006 H6 C 368 H6 C 368 48.149 28.262 -26.336 1007 1H5* C 369 1H5* C 369 43.458 32.171 -27.643 1008 2H5* C 369 2H5* C 369 42.044 32.965 -26.949 1009 H4* C 369 H4* C 369 40.967 31.579 -28.371 1010 H3* C 369 H3* C 369 41.395 29.908 -25.902 1011 H2* C 369 H2* C 369 40.231 28.118 -26.940 1012 2HO* C 369 2HO* C 369 38.740 29.679 -27.891 1013 H1* C 369 H1* C 369 41.655 28.392 -29.358 1014 1H4 C 369 1H4 C 369 44.962 23.779 -26.494 1015 2H4 C 369 2H4 C 369 45.349 24.840 -25.158 1016 H5 C 369 H5 C 369 44.558 27.058 -24.967 1017 H6 C 369 H6 C 369 43.189 28.820 -26.022 1018 1H5* C 370 1H5* C 370 37.402 30.603 -26.734 1019 2H5* C 370 2H5* C 370 36.066 30.507 -25.588 1020 H4* C 370 H4* C 370 35.875 28.658 -27.060 1021 H3* C 370 H3* C 370 36.880 27.878 -24.326 1022 H2* C 370 H2* C 370 36.679 25.596 -24.951 1023 2HO* C 370 2HO* C 370 35.624 25.220 -27.071 1024 H1* C 370 H1* C 370 37.923 26.060 -27.462 1025 1H4 C 370 1H4 C 370 42.630 23.616 -23.933 1026 2H4 C 370 2H4 C 370 42.711 25.091 -22.997 1027 H5 C 370 H5 C 370 41.228 26.909 -23.275 1028 H6 C 370 H6 C 370 39.286 27.768 -24.535 1029 1H5* A 371 1H5* A 371 32.258 26.655 -24.188 1030 2H5* A 371 2H5* A 371 31.976 26.323 -22.479 1031 H4* A 371 H4* A 371 31.647 24.395 -24.083 1032 H3* A 371 H3* A 371 33.358 24.222 -21.621 1033 H2* A 371 H2* A 371 33.747 21.911 -22.044 1034 2HO* A 371 2HO* A 371 32.200 22.101 -24.425 1035 H1* A 371 H1* A 371 34.475 22.329 -24.700 1036 H8 A 371 H8 A 371 35.817 25.236 -22.893 1037 1H6 A 371 1H6 A 371 40.631 21.671 -21.140 1038 2H6 A 371 2H6 A 371 40.032 23.313 -21.203 1039 H2 A 371 H2 A 371 37.521 19.036 -22.910 1040 1H5* G 372 1H5* G 372 30.641 20.819 -21.486 1041 2H5* G 372 2H5* G 372 29.819 20.913 -19.929 1042 H4* G 372 H4* G 372 30.565 18.689 -20.158 1043 H3* G 372 H3* G 372 32.199 20.304 -18.233 1044 H2* G 372 H2* G 372 33.554 18.417 -17.738 1045 2HO* G 372 2HO* G 372 32.760 16.386 -18.328 1046 H1* G 372 H1* G 372 33.929 17.770 -20.451 1047 H8 G 372 H8 G 372 34.123 21.446 -20.141 1048 H1 G 372 H1 G 372 39.570 18.491 -18.278 1049 1H2 G 372 1H2 G 372 39.230 16.464 -18.108 1050 2H2 G 372 2H2 G 372 37.698 15.682 -18.424 1051 1H5* G 373 1H5* G 373 31.018 16.952 -16.703 1052 2H5* G 373 2H5* G 373 30.156 16.722 -15.181 1053 H4* G 373 H4* G 373 31.982 15.266 -15.068 1054 H3* G 373 H3* G 373 32.453 17.762 -13.467 1055 H2* G 373 H2* G 373 34.550 16.921 -12.737 1056 2HO* G 373 2HO* G 373 34.987 14.637 -13.589 1057 H1* G 373 H1* G 373 35.407 16.222 -15.284 1058 H8 G 373 H8 G 373 33.436 19.300 -15.753 1059 H1 G 373 H1 G 373 39.328 20.470 -13.343 1060 1H2 G 373 1H2 G 373 40.189 18.697 -12.737 1061 2H2 G 373 2H2 G 373 39.428 17.127 -12.863 1062 1H5* G 374 1H5* G 374 33.080 14.370 -11.468 1063 2H5* G 374 2H5* G 374 32.543 14.080 -9.814 1064 H4* G 374 H4* G 374 34.824 13.610 -9.772 1065 H3* G 374 H3* G 374 34.251 16.335 -8.663 1066 H2* G 374 H2* G 374 36.561 16.669 -8.199 1067 2HO* G 374 2HO* G 374 37.864 14.624 -8.977 1068 H1* G 374 H1* G 374 37.347 15.866 -10.775 1069 H8 G 374 H8 G 374 34.243 17.895 -11.021 1070 H1 G 374 H1 G 374 39.593 21.487 -10.415 1071 1H2 G 374 1H2 G 374 41.183 20.274 -9.918 1072 2H2 G 374 2H2 G 374 41.084 18.542 -9.697 1073 1H5* U 375 1H5* U 375 37.150 14.467 -5.839 1074 2H5* U 375 2H5* U 375 36.434 14.802 -4.263 1075 H4* U 375 H4* U 375 38.709 15.560 -4.273 1076 H3* U 375 H3* U 375 36.600 17.684 -4.163 1077 H2* U 375 H2* U 375 38.256 19.386 -4.046 1078 2HO* U 375 2HO* U 375 39.583 17.944 -2.720 1079 H1* U 375 H1* U 375 39.717 18.282 -6.203 1080 H3 U 375 H3 U 375 38.240 22.170 -7.979 1081 H5 U 375 H5 U 375 34.785 19.816 -7.741 1082 H6 U 375 H6 U 375 36.120 18.154 -6.529 1083 1H5* U 376 1H5* U 376 39.240 18.262 -0.782 1084 2H5* U 376 2H5* U 376 38.408 18.925 0.624 1085 H4* U 376 H4* U 376 40.235 20.365 -0.152 1086 H3* U 376 H3* U 376 37.425 21.427 -0.191 1087 H2* U 376 H2* U 376 38.223 23.550 -0.894 1088 2HO* U 376 2HO* U 376 40.775 22.281 -0.475 1089 H1* U 376 H1* U 376 39.869 22.456 -2.895 1090 H3 U 376 H3 U 376 36.497 24.699 -5.027 1091 H5 U 376 H5 U 376 34.872 20.963 -4.059 1092 H6 U 376 H6 U 376 36.889 20.539 -2.731 1093 2H ALA 1 HN ALA 1 58.637 -15.215 17.390 1094 HA ALA 1 HA ALA 1 58.449 -15.019 15.133 1095 1HB ALA 1 1HB ALA 1 56.762 -13.540 15.228 1096 2HB ALA 1 2HB ALA 1 57.459 -12.805 16.691 1097 3HB ALA 1 3HB ALA 1 57.942 -12.215 15.084 1098 H THR 2 HN THR 2 59.778 -14.970 13.387 1099 HA THR 2 HA THR 2 61.575 -12.736 13.028 1100 HB THR 2 HB THR 2 62.792 -14.322 14.588 1101 HG1 THR 2 HG1 THR 2 64.151 -13.173 13.186 1102 1HG2 THR 2 1HG2 THR 2 61.732 -16.327 12.882 1103 2HG2 THR 2 2HG2 THR 2 63.453 -16.214 12.442 1104 3HG2 THR 2 3HG2 THR 2 62.986 -16.555 14.125 1105 H VAL 3 HN VAL 3 61.772 -12.236 10.920 1106 HA VAL 3 HA VAL 3 61.139 -14.364 9.007 1107 HB VAL 3 HB VAL 3 59.856 -12.729 7.696 1108 1HG1 VAL 3 1HG1 VAL 3 59.027 -14.175 9.901 1109 2HG1 VAL 3 2HG1 VAL 3 58.367 -12.553 10.218 1110 3HG1 VAL 3 3HG1 VAL 3 57.964 -13.397 8.704 1111 1HG2 VAL 3 1HG2 VAL 3 60.413 -10.935 10.066 1112 2HG2 VAL 3 2HG2 VAL 3 60.703 -10.621 8.338 1113 3HG2 VAL 3 3HG2 VAL 3 59.038 -10.661 8.968 1114 H VAL 4 HN VAL 4 62.545 -14.481 7.297 1115 HA VAL 4 HA VAL 4 64.870 -12.840 7.428 1116 HB VAL 4 HB VAL 4 65.577 -14.182 5.494 1117 1HG1 VAL 4 1HG1 VAL 4 65.792 -14.978 7.878 1118 2HG1 VAL 4 2HG1 VAL 4 64.326 -15.950 7.615 1119 3HG1 VAL 4 3HG1 VAL 4 65.787 -16.266 6.649 1120 1HG2 VAL 4 1HG2 VAL 4 63.441 -16.126 5.490 1121 2HG2 VAL 4 2HG2 VAL 4 62.803 -14.515 5.081 1122 3HG2 VAL 4 3HG2 VAL 4 64.139 -15.210 4.133 1123 H SER 5 HN SER 5 65.256 -10.932 6.418 1124 HA SER 5 HA SER 5 63.731 -10.374 4.027 1125 1HB SER 5 2HB SER 5 62.857 -9.331 6.407 1126 2HB SER 5 3HB SER 5 63.977 -8.075 5.916 1127 HG SER 5 HG SER 5 62.533 -7.397 4.501 1128 H GLY 6 HN GLY 6 65.309 -9.978 2.519 1129 1HA GLY 6 1HA GLY 6 67.970 -9.363 3.156 1130 2HA GLY 6 2HA GLY 6 67.215 -9.249 1.579 1131 H GLN 7 HN GLN 7 67.614 -7.252 0.726 1132 HA GLN 7 HA GLN 7 66.845 -4.994 2.355 1133 1HB GLN 7 2HB GLN 7 69.523 -5.646 2.158 1134 2HB GLN 7 3HB GLN 7 69.346 -4.533 0.817 1135 1HG GLN 7 2HG GLN 7 68.188 -2.916 2.436 1136 2HG GLN 7 3HG GLN 7 68.636 -4.001 3.738 1137 1HE2 GLN 7 1HE2 GLN 7 70.699 -4.112 4.458 1138 2HE2 GLN 7 2HE2 GLN 7 71.984 -3.072 3.941 1139 H LYS 8 HN LYS 8 66.265 -3.095 1.083 1140 HA LYS 8 HA LYS 8 66.369 -3.382 -1.793 1141 1HB LYS 8 2HB LYS 8 63.980 -3.180 -2.124 1142 2HB LYS 8 3HB LYS 8 64.331 -4.619 -1.189 1143 1HG LYS 8 2HG LYS 8 63.453 -3.726 0.794 1144 2HG LYS 8 3HG LYS 8 63.778 -2.070 0.323 1145 1HD LYS 8 2HD LYS 8 61.649 -1.863 -0.419 1146 2HD LYS 8 3HD LYS 8 61.945 -3.109 -1.616 1147 1HE LYS 8 2HE LYS 8 61.144 -3.678 1.279 1148 2HE LYS 8 3HE LYS 8 60.012 -3.618 -0.058 1149 1HZ LYS 8 1HZ LYS 8 60.711 -5.850 0.342 1150 2HZ LYS 8 2HZ LYS 8 61.290 -5.383 -1.111 1151 3HZ LYS 8 3HZ LYS 8 62.288 -5.462 0.177 1152 H GLN 9 HN GLN 9 66.476 -1.396 -2.819 1153 HA GLN 9 HA GLN 9 66.968 0.796 -1.107 1154 1HB GLN 9 2HB GLN 9 67.399 0.091 -3.901 1155 2HB GLN 9 3HB GLN 9 66.758 1.718 -3.790 1156 1HG GLN 9 2HG GLN 9 68.570 2.484 -2.451 1157 2HG GLN 9 3HG GLN 9 69.011 0.864 -1.948 1158 1HE2 GLN 9 1HE2 GLN 9 71.123 1.070 -2.576 1159 2HE2 GLN 9 2HE2 GLN 9 71.643 1.089 -4.228 1160 H ASP 10 HN ASP 10 65.294 1.834 -0.097 1161 HA ASP 10 HA ASP 10 63.526 3.365 -1.459 1162 1HB ASP 10 2HB ASP 10 62.650 0.569 -1.267 1163 2HB ASP 10 3HB ASP 10 61.521 1.631 -0.448 1164 H ARG 11 HN ARG 11 63.692 4.863 0.244 1165 HA ARG 11 HA ARG 11 63.980 4.176 2.875 1166 1HB ARG 11 2HB ARG 11 63.403 6.637 1.319 1167 2HB ARG 11 3HB ARG 11 62.774 6.700 2.953 1168 1HG ARG 11 2HG ARG 11 64.894 7.382 3.494 1169 2HG ARG 11 3HG ARG 11 65.262 5.669 3.457 1170 1HD ARG 11 2HD ARG 11 65.436 7.363 0.933 1171 2HD ARG 11 3HD ARG 11 66.775 7.283 2.060 1172 HE ARG 11 HE ARG 11 65.811 5.109 0.317 1173 1HH1 ARG 11 2HH2 ARG 11 67.800 5.979 3.087 1174 2HH1 ARG 11 1HH2 ARG 11 68.781 4.555 2.992 1175 1HH2 ARG 11 2HH1 ARG 11 67.104 3.229 0.192 1176 2HH2 ARG 11 1HH1 ARG 11 68.382 2.980 1.334 1177 H GLN 12 HN GLN 12 62.534 3.256 4.297 1178 HA GLN 12 HA GLN 12 59.760 3.270 3.571 1179 1HB GLN 12 2HB GLN 12 61.276 1.323 4.611 1180 2HB GLN 12 3HB GLN 12 60.782 2.045 6.129 1181 1HG GLN 12 2HG GLN 12 58.828 1.202 3.939 1182 2HG GLN 12 3HG GLN 12 59.257 0.187 5.302 1183 1HE2 GLN 12 1HE2 GLN 12 58.705 0.815 7.414 1184 2HE2 GLN 12 2HE2 GLN 12 57.415 1.923 7.741 1185 H GLY 13 HN GLY 13 59.572 5.682 3.866 1186 1HA GLY 13 1HA GLY 13 59.891 6.834 6.450 1187 2HA GLY 13 2HA GLY 13 59.075 7.530 5.064 1188 H GLY 14 HN GLY 14 57.814 8.128 7.310 1189 1HA GLY 14 1HA GLY 14 55.561 6.215 7.444 1190 2HA GLY 14 2HA GLY 14 56.228 6.985 8.870 1191 H GLU 15 HN GLU 15 54.503 7.554 5.777 1192 HA GLU 15 HA GLU 15 52.986 9.591 6.984 1193 1HB GLU 15 2HB GLU 15 53.665 11.461 5.490 1194 2HB GLU 15 3HB GLU 15 54.967 10.965 6.552 1195 1HG GLU 15 2HG GLU 15 56.055 9.707 4.767 1196 2HG GLU 15 3HG GLU 15 54.672 9.902 3.708 1197 H ARG 16 HN ARG 16 51.073 10.014 5.775 1198 HA ARG 16 HA ARG 16 50.903 8.387 3.367 1199 1HB ARG 16 2HB ARG 16 49.447 7.581 5.210 1200 2HB ARG 16 3HB ARG 16 48.725 9.169 5.369 1201 1HG ARG 16 2HG ARG 16 47.145 8.026 4.042 1202 2HG ARG 16 3HG ARG 16 48.073 8.909 2.845 1203 1HD ARG 16 2HD ARG 16 49.561 6.595 3.013 1204 2HD ARG 16 3HD ARG 16 47.963 5.968 3.366 1205 HE ARG 16 HE ARG 16 48.092 7.768 1.034 1206 1HH1 ARG 16 2HH2 ARG 16 48.213 4.443 2.182 1207 2HH1 ARG 16 1HH2 ARG 16 47.809 3.762 0.642 1208 1HH2 ARG 16 2HH1 ARG 16 47.558 6.869 -0.999 1209 2HH2 ARG 16 1HH1 ARG 16 47.433 5.151 -1.179 1210 H ARG 17 HN ARG 17 49.382 11.276 4.993 1211 HA ARG 17 HA ARG 17 49.667 12.688 2.501 1212 1HB ARG 17 2HB ARG 17 47.314 11.559 2.690 1213 2HB ARG 17 3HB ARG 17 46.986 12.729 3.952 1214 1HG ARG 17 2HG ARG 17 46.503 14.298 2.392 1215 2HG ARG 17 3HG ARG 17 48.130 14.180 1.753 1216 1HD ARG 17 2HD ARG 17 47.504 12.461 0.179 1217 2HD ARG 17 3HD ARG 17 45.981 12.158 0.992 1218 HE ARG 17 HE ARG 17 46.311 14.910 -0.018 1219 1HH1 ARG 17 2HH2 ARG 17 45.099 11.671 -0.675 1220 2HH1 ARG 17 1HH2 ARG 17 43.993 12.195 -1.900 1221 1HH2 ARG 17 2HH1 ARG 17 44.851 15.601 -1.635 1222 2HH2 ARG 17 1HH1 ARG 17 43.851 14.446 -2.451 1223 H ARG 18 HN ARG 18 47.937 13.019 5.699 1224 HA ARG 18 HA ARG 18 49.341 15.544 6.001 1225 1HB ARG 18 2HB ARG 18 46.825 14.554 7.435 1226 2HB ARG 18 3HB ARG 18 47.523 16.154 7.592 1227 1HG ARG 18 2HG ARG 18 46.781 16.847 5.501 1228 2HG ARG 18 3HG ARG 18 46.922 15.249 4.797 1229 1HD ARG 18 2HD ARG 18 44.928 14.848 6.693 1230 2HD ARG 18 3HD ARG 18 44.613 16.498 6.194 1231 HE ARG 18 HE ARG 18 44.073 15.743 4.015 1232 1HH1 ARG 18 2HH2 ARG 18 45.376 13.111 5.953 1233 2HH1 ARG 18 1HH2 ARG 18 44.905 11.880 4.830 1234 1HH2 ARG 18 2HH1 ARG 18 43.450 14.119 2.533 1235 2HH2 ARG 18 1HH1 ARG 18 43.802 12.457 2.871 1236 H SER 19 HN SER 19 50.984 13.455 6.554 1237 HA SER 19 HA SER 19 51.119 11.952 8.573 1238 1HB SER 19 2HB SER 19 53.149 12.532 7.398 1239 2HB SER 19 3HB SER 19 53.119 14.173 8.010 1240 HG SER 19 HG SER 19 54.297 13.478 9.645 1241 H GLN 20 HN GLN 20 51.288 15.549 9.037 1242 HA GLN 20 HA GLN 20 49.885 15.293 11.484 1243 1HB GLN 20 2HB GLN 20 52.673 15.063 11.685 1244 2HB GLN 20 3HB GLN 20 52.380 16.748 12.066 1245 1HG GLN 20 2HG GLN 20 50.598 15.999 13.721 1246 2HG GLN 20 3HG GLN 20 51.065 14.339 13.408 1247 1HE2 GLN 20 1HE2 GLN 20 52.784 13.480 14.380 1248 2HE2 GLN 20 2HE2 GLN 20 53.864 14.308 15.451 1249 H LEU 21 HN LEU 21 48.988 16.550 9.292 1250 HA LEU 21 HA LEU 21 49.882 19.206 8.993 1251 1HB LEU 21 2HB LEU 21 48.642 17.774 7.331 1252 2HB LEU 21 3HB LEU 21 47.187 18.061 8.266 1253 HG LEU 21 HG LEU 21 48.692 19.885 6.463 1254 1HD1 LEU 21 1HD1 LEU 21 46.418 18.687 6.082 1255 2HD1 LEU 21 2HD1 LEU 21 45.757 19.986 7.106 1256 3HD1 LEU 21 3HD1 LEU 21 46.606 20.388 5.593 1257 1HD2 LEU 21 1HD2 LEU 21 48.896 20.978 8.689 1258 2HD2 LEU 21 2HD2 LEU 21 47.934 21.909 7.516 1259 3HD2 LEU 21 3HD2 LEU 21 47.120 20.990 8.805 1260 H ASP 22 HN ASP 22 49.983 20.399 10.878 1261 HA ASP 22 HA ASP 22 47.935 20.243 12.795 1262 1HB ASP 22 2HB ASP 22 50.484 21.062 12.903 1263 2HB ASP 22 3HB ASP 22 49.780 22.628 12.553 1264 H ARG 23 HN ARG 23 46.492 22.122 13.412 1265 HA ARG 23 HA ARG 23 45.242 23.170 11.155 1266 1HB ARG 23 2HB ARG 23 44.984 23.649 14.147 1267 2HB ARG 23 3HB ARG 23 44.047 24.613 13.022 1268 1HG ARG 23 2HG ARG 23 44.029 21.560 13.168 1269 2HG ARG 23 3HG ARG 23 42.782 22.610 13.812 1270 1HD ARG 23 2HD ARG 23 43.278 23.329 11.038 1271 2HD ARG 23 3HD ARG 23 43.015 21.600 11.138 1272 HE ARG 23 HE ARG 23 41.042 22.907 12.749 1273 1HH1 ARG 23 2HH2 ARG 23 41.913 22.481 9.366 1274 2HH1 ARG 23 1HH2 ARG 23 40.290 22.672 8.792 1275 1HH2 ARG 23 2HH1 ARG 23 38.900 23.159 11.992 1276 2HH2 ARG 23 1HH1 ARG 23 38.565 23.060 10.295 1277 H ASP 24 HN ASP 24 48.145 24.043 12.600 1278 HA ASP 24 HA ASP 24 47.849 26.757 11.596 1279 1HB ASP 24 2HB ASP 24 48.089 26.199 14.270 1280 2HB ASP 24 3HB ASP 24 49.784 26.281 13.834 1281 H GLN 25 HN GLN 25 48.930 24.091 10.540 1282 HA GLN 25 HA GLN 25 51.706 24.932 10.221 1283 1HB GLN 25 2HB GLN 25 51.499 22.792 11.455 1284 2HB GLN 25 3HB GLN 25 50.551 22.109 10.149 1285 1HG GLN 25 2HG GLN 25 52.580 22.673 8.612 1286 2HG GLN 25 3HG GLN 25 53.483 22.925 10.091 1287 1HE2 GLN 25 1HE2 GLN 25 51.630 20.624 8.195 1288 2HE2 GLN 25 2HE2 GLN 25 52.283 19.169 8.874 1289 H CYS 26 HN CYS 26 52.548 25.058 8.110 1290 HA CYS 26 HA CYS 26 50.708 25.503 6.074 1291 1HB CYS 26 2HB CYS 26 52.953 26.533 6.170 1292 2HB CYS 26 3HB CYS 26 53.690 24.975 5.853 1293 H ALA 27 HN ALA 27 49.832 24.135 4.506 1294 HA ALA 27 HA ALA 27 50.485 21.307 4.810 1295 1HB ALA 27 1HB ALA 27 48.369 21.075 3.404 1296 2HB ALA 27 2HB ALA 27 48.150 21.799 5.015 1297 3HB ALA 27 3HB ALA 27 48.171 22.836 3.569 1298 H TYR 28 HN TYR 28 52.314 23.274 3.488 1299 HA TYR 28 HA TYR 28 52.319 22.005 0.836 1300 1HB TYR 28 2HB TYR 28 51.591 24.492 0.974 1301 2HB TYR 28 3HB TYR 28 53.159 24.851 1.666 1302 HD1 TYR 28 HD1 TYR 28 51.298 24.276 -1.382 1303 HD2 TYR 28 HD2 TYR 28 55.240 24.487 0.268 1304 HE1 TYR 28 HE1 TYR 28 52.267 24.575 -3.714 1305 HE2 TYR 28 HE2 TYR 28 56.195 24.786 -2.069 1306 HH TYR 28 HH TYR 28 55.305 24.039 -4.484 1307 H CYS 29 HN CYS 29 54.385 24.082 2.998 1308 HA CYS 29 HA CYS 29 56.656 22.472 2.167 1309 1HB CYS 29 2HB CYS 29 58.023 24.233 3.225 1310 2HB CYS 29 3HB CYS 29 56.953 24.873 1.994 1311 H LYS 30 HN LYS 30 54.278 22.748 4.643 1312 HA LYS 30 HA LYS 30 53.977 21.560 6.495 1313 1HB LYS 30 2HB LYS 30 56.189 20.161 5.268 1314 2HB LYS 30 3HB LYS 30 56.390 20.180 7.008 1315 1HG LYS 30 2HG LYS 30 54.905 18.459 7.072 1316 2HG LYS 30 3HG LYS 30 53.663 19.648 6.732 1317 1HD LYS 30 2HD LYS 30 54.729 19.137 4.196 1318 2HD LYS 30 3HD LYS 30 54.802 17.565 4.965 1319 1HE LYS 30 2HE LYS 30 52.251 19.058 5.397 1320 2HE LYS 30 3HE LYS 30 52.557 18.582 3.738 1321 1HZ LYS 30 1HZ LYS 30 52.128 16.916 6.059 1322 2HZ LYS 30 2HZ LYS 30 51.619 16.710 4.521 1323 3HZ LYS 30 3HZ LYS 30 53.159 16.348 4.926 1324 H GLU 31 HN GLU 31 55.346 24.257 6.164 1325 HA GLU 31 HA GLU 31 57.039 24.326 8.481 1326 1HB GLU 31 2HB GLU 31 56.155 26.415 6.455 1327 2HB GLU 31 3HB GLU 31 57.089 26.842 7.874 1328 1HG GLU 31 2HG GLU 31 58.928 25.382 7.198 1329 2HG GLU 31 3HG GLU 31 57.975 24.690 5.901 1330 H LYS 32 HN LYS 32 56.231 24.564 10.516 1331 HA LYS 32 HA LYS 32 53.485 25.240 10.875 1332 1HB LYS 32 2HB LYS 32 55.571 23.964 12.363 1333 2HB LYS 32 3HB LYS 32 54.927 25.268 13.341 1334 1HG LYS 32 2HG LYS 32 52.574 24.384 12.729 1335 2HG LYS 32 3HG LYS 32 53.376 22.969 12.076 1336 1HD LYS 32 2HD LYS 32 53.838 23.945 14.929 1337 2HD LYS 32 3HD LYS 32 52.579 22.796 14.518 1338 1HE LYS 32 2HE LYS 32 54.916 21.794 13.255 1339 2HE LYS 32 3HE LYS 32 55.458 22.347 14.827 1340 1HZ LYS 32 1HZ LYS 32 53.273 20.461 14.297 1341 2HZ LYS 32 2HZ LYS 32 54.698 20.139 15.026 1342 3HZ LYS 32 3HZ LYS 32 53.591 21.076 15.776 1343 H GLY 33 HN GLY 33 52.635 27.243 10.972 1344 1HA GLY 33 1HA GLY 33 53.137 29.323 12.462 1345 2HA GLY 33 2HA GLY 33 54.473 29.498 11.342 1346 H HIS 34 HN HIS 34 53.632 29.007 8.864 1347 HA HIS 34 HA HIS 34 51.396 30.864 8.553 1348 1HB HIS 34 2HB HIS 34 52.304 31.433 6.416 1349 2HB HIS 34 3HB HIS 34 53.587 31.534 7.605 1350 HD1 HIS 34 HD1 HIS 34 55.597 29.938 7.357 1351 HD2 HIS 34 HD2 HIS 34 52.547 29.258 4.558 1352 HE1 HIS 34 HE1 HIS 34 56.565 28.340 5.618 1353 H TRP 35 HN TRP 35 49.888 30.429 6.696 1354 HA TRP 35 HA TRP 35 49.282 27.583 6.665 1355 1HB TRP 35 2HB TRP 35 47.765 30.097 6.381 1356 2HB TRP 35 3HB TRP 35 47.250 28.798 5.324 1357 HD1 TRP 35 HD1 TRP 35 48.237 28.794 9.123 1358 HE1 TRP 35 HE1 TRP 35 46.412 27.518 10.539 1359 HE3 TRP 35 HE3 TRP 35 45.183 27.723 5.200 1360 HZ2 TRP 35 HZ2 TRP 35 43.953 26.232 9.876 1361 HZ3 TRP 35 HZ3 TRP 35 43.090 26.455 5.671 1362 HH2 TRP 35 HH2 TRP 35 42.457 25.715 7.913 1363 H ALA 36 HN ALA 36 48.552 26.657 4.486 1364 HA ALA 36 HA ALA 36 50.613 26.913 2.631 1365 1HB ALA 36 1HB ALA 36 49.028 25.564 1.183 1366 2HB ALA 36 2HB ALA 36 49.328 24.884 2.801 1367 3HB ALA 36 3HB ALA 36 47.808 25.749 2.467 1368 H LYS 37 HN LYS 37 47.424 28.514 2.945 1369 HA LYS 37 HA LYS 37 47.446 29.647 0.361 1370 1HB LYS 37 2HB LYS 37 45.869 29.975 2.875 1371 2HB LYS 37 3HB LYS 37 45.801 31.280 1.706 1372 1HG LYS 37 2HG LYS 37 44.094 29.953 0.865 1373 2HG LYS 37 3HG LYS 37 45.437 29.269 -0.031 1374 1HD LYS 37 2HD LYS 37 45.696 27.588 1.928 1375 2HD LYS 37 3HD LYS 37 44.140 28.162 2.495 1376 1HE LYS 37 2HE LYS 37 43.304 26.511 1.139 1377 2HE LYS 37 3HE LYS 37 43.523 27.695 -0.134 1378 1HZ LYS 37 1HZ LYS 37 44.673 25.925 -0.932 1379 2HZ LYS 37 2HZ LYS 37 45.893 26.706 -0.177 1380 3HZ LYS 37 3HZ LYS 37 45.191 25.411 0.530 1381 H ASP 38 HN ASP 38 49.504 30.106 2.994 1382 HA ASP 38 HA ASP 38 50.168 32.746 1.962 1383 1HB ASP 38 2HB ASP 38 49.302 32.072 4.616 1384 2HB ASP 38 3HB ASP 38 51.013 32.437 4.724 1385 H CYS 39 HN CYS 39 51.144 29.943 1.385 1386 HA CYS 39 HA CYS 39 53.585 29.592 2.782 1387 1HB CYS 39 2HB CYS 39 52.280 27.724 1.774 1388 2HB CYS 39 3HB CYS 39 52.672 28.328 0.176 1389 HA PRO 40 HA PRO 40 55.831 32.415 0.300 1390 1HB PRO 40 2HB PRO 40 58.331 31.936 1.295 1391 2HB PRO 40 3HB PRO 40 57.182 33.009 2.068 1392 1HG PRO 40 2HG PRO 40 57.990 30.278 2.860 1393 2HG PRO 40 3HG PRO 40 57.193 31.508 3.819 1394 1HD PRO 40 2HD PRO 40 55.972 29.199 2.634 1395 2HD PRO 40 3HD PRO 40 55.157 30.489 3.495 1396 H LYS 41 HN LYS 41 55.692 29.206 -0.084 1397 HA LYS 41 HA LYS 41 57.895 29.015 -1.936 1398 1HB LYS 41 2HB LYS 41 56.652 27.215 -0.294 1399 2HB LYS 41 3HB LYS 41 55.886 26.850 -1.827 1400 1HG LYS 41 2HG LYS 41 57.806 25.981 -2.725 1401 2HG LYS 41 3HG LYS 41 58.807 27.265 -2.077 1402 1HD LYS 41 2HD LYS 41 57.800 24.802 -0.580 1403 2HD LYS 41 3HD LYS 41 59.458 25.151 -1.030 1404 1HE LYS 41 2HE LYS 41 59.045 27.381 0.392 1405 2HE LYS 41 3HE LYS 41 57.769 26.431 1.127 1406 1HZ LYS 41 1HZ LYS 41 59.850 24.738 1.104 1407 2HZ LYS 41 2HZ LYS 41 60.587 26.165 1.398 1408 3HZ LYS 41 3HZ LYS 41 59.394 25.644 2.384 1409 H LYS 42 HN LYS 42 54.470 29.807 -1.922 1410 HA LYS 42 HA LYS 42 53.580 29.096 -4.350 1411 1HB LYS 42 2HB LYS 42 53.197 31.624 -2.753 1412 2HB LYS 42 3HB LYS 42 52.396 31.409 -4.296 1413 1HG LYS 42 2HG LYS 42 52.099 28.974 -2.741 1414 2HG LYS 42 3HG LYS 42 51.625 30.339 -1.750 1415 1HD LYS 42 2HD LYS 42 50.153 31.142 -3.662 1416 2HD LYS 42 3HD LYS 42 50.551 29.672 -4.530 1417 1HE LYS 42 2HE LYS 42 49.767 28.576 -2.154 1418 2HE LYS 42 3HE LYS 42 48.808 30.042 -2.116 1419 1HZ LYS 42 1HZ LYS 42 47.756 28.134 -3.240 1420 2HZ LYS 42 2HZ LYS 42 47.835 29.475 -4.169 1421 3HZ LYS 42 3HZ LYS 42 48.869 28.239 -4.430 1422 HA PRO 43 HA PRO 43 56.726 30.955 -6.835 1423 1HB PRO 43 2HB PRO 43 56.460 29.268 -8.969 1424 2HB PRO 43 3HB PRO 43 57.535 28.948 -7.622 1425 1HG PRO 43 2HG PRO 43 54.926 27.707 -8.245 1426 2HG PRO 43 3HG PRO 43 56.191 27.126 -7.182 1427 1HD PRO 43 2HD PRO 43 53.730 28.375 -6.400 1428 2HD PRO 43 3HD PRO 43 55.045 27.901 -5.344 1429 H ARG 44 HN ARG 44 56.128 32.962 -7.398 1430 HA ARG 44 HA ARG 44 55.134 34.522 -8.514 1431 1HB ARG 44 2HB ARG 44 55.434 32.347 -10.447 1432 2HB ARG 44 3HB ARG 44 54.000 33.281 -10.826 1433 1HG ARG 44 2HG ARG 44 55.303 35.369 -10.867 1434 2HG ARG 44 3HG ARG 44 56.737 34.533 -10.309 1435 1HD ARG 44 2HD ARG 44 56.498 33.045 -12.434 1436 2HD ARG 44 3HD ARG 44 55.339 34.231 -13.000 1437 HE ARG 44 HE ARG 44 57.081 35.809 -13.279 1438 1HH1 ARG 44 2HH2 ARG 44 58.268 32.936 -11.631 1439 2HH1 ARG 44 1HH2 ARG 44 59.937 33.367 -11.809 1440 1HH2 ARG 44 2HH1 ARG 44 59.281 36.378 -13.514 1441 2HH2 ARG 44 1HH1 ARG 44 60.516 35.338 -12.888 1442 H GLY 45 HN GLY 45 53.267 35.340 -7.613 1443 1HA GLY 45 1HA GLY 45 50.717 34.668 -8.466 1444 2HA GLY 45 2HA GLY 45 51.013 33.721 -7.021 1445 HA PRO 46 HA PRO 46 48.924 34.308 -6.989 1446 1HB PRO 46 2HB PRO 46 46.545 35.652 -6.964 1447 2HB PRO 46 3HB PRO 46 47.193 34.825 -5.562 1448 1HG PRO 46 2HG PRO 46 47.096 37.727 -6.123 1449 2HG PRO 46 3HG PRO 46 47.336 36.912 -4.589 1450 1HD PRO 46 2HD PRO 46 49.348 38.181 -6.193 1451 2HD PRO 46 3HD PRO 46 49.604 37.267 -4.719 1452 H ARG 47 HN ARG 47 47.578 33.732 -8.850 1453 HA ARG 47 HA ARG 47 48.733 34.631 -11.121 1454 1HB ARG 47 2HB ARG 47 46.771 33.621 -12.307 1455 2HB ARG 47 3HB ARG 47 47.354 32.587 -11.017 1456 1HG ARG 47 2HG ARG 47 45.336 32.655 -9.989 1457 2HG ARG 47 3HG ARG 47 45.402 34.405 -9.897 1458 1HD ARG 47 2HD ARG 47 44.812 33.503 -12.635 1459 2HD ARG 47 3HD ARG 47 43.645 32.870 -11.491 1460 HE ARG 47 HE ARG 47 44.030 35.619 -10.867 1461 1HH1 ARG 47 2HH2 ARG 47 42.724 33.655 -13.478 1462 2HH1 ARG 47 1HH2 ARG 47 41.600 34.866 -13.998 1463 1HH2 ARG 47 2HH1 ARG 47 42.547 37.217 -11.552 1464 2HH2 ARG 47 1HH1 ARG 47 41.499 36.905 -12.895 1465 H GLY 48 HN GLY 48 48.352 36.317 -12.613 1466 1HA GLY 48 1HA GLY 48 47.244 38.074 -13.573 1467 2HA GLY 48 2HA GLY 48 45.962 37.942 -12.385 1468 HA PRO 49 HA PRO 49 48.799 41.407 -11.271 1469 1HB PRO 49 2HB PRO 49 47.257 43.552 -11.973 1470 2HB PRO 49 3HB PRO 49 48.527 42.909 -12.995 1471 1HG PRO 49 2HG PRO 49 45.599 42.629 -13.281 1472 2HG PRO 49 3HG PRO 49 46.849 42.374 -14.482 1473 1HD PRO 49 2HD PRO 49 45.405 40.350 -13.052 1474 2HD PRO 49 3HD PRO 49 46.733 40.100 -14.167 1475 H ARG 50 HN ARG 50 47.745 39.914 -9.456 1476 HA ARG 50 HA ARG 50 46.759 39.849 -7.532 1477 1HB ARG 50 2HB ARG 50 47.366 42.840 -7.640 1478 2HB ARG 50 3HB ARG 50 46.720 42.078 -6.201 1479 1HG ARG 50 2HG ARG 50 48.992 40.553 -7.261 1480 2HG ARG 50 3HG ARG 50 49.441 42.222 -6.969 1481 1HD ARG 50 2HD ARG 50 47.811 41.215 -4.756 1482 2HD ARG 50 3HD ARG 50 49.175 40.152 -5.034 1483 HE ARG 50 HE ARG 50 50.662 41.893 -4.429 1484 1HH1 ARG 50 2HH2 ARG 50 47.370 43.109 -4.680 1485 2HH1 ARG 50 1HH2 ARG 50 47.736 44.622 -3.918 1486 1HH2 ARG 50 2HH1 ARG 50 51.145 43.887 -3.425 1487 2HH2 ARG 50 1HH1 ARG 50 49.897 45.067 -3.200 1488 HA PRO 51 HA PRO 51 42.689 41.100 -9.018 1489 1HB PRO 51 2HB PRO 51 41.445 38.698 -8.634 1490 2HB PRO 51 3HB PRO 51 42.202 39.153 -10.148 1491 1HG PRO 51 2HG PRO 51 43.170 37.270 -8.084 1492 2HG PRO 51 3HG PRO 51 43.673 37.420 -9.756 1493 1HD PRO 51 2HD PRO 51 45.094 38.352 -7.445 1494 2HD PRO 51 3HD PRO 51 45.539 38.604 -9.121 1495 H GLN 52 HN GLN 52 42.821 42.563 -7.177 1496 HA GLN 52 HA GLN 52 40.789 41.793 -5.360 1497 1HB GLN 52 2HB GLN 52 43.006 40.769 -4.451 1498 2HB GLN 52 3HB GLN 52 43.477 42.417 -4.089 1499 1HG GLN 52 2HG GLN 52 42.458 41.705 -2.077 1500 2HG GLN 52 3HG GLN 52 41.184 42.618 -2.860 1501 1HE2 GLN 52 1HE2 GLN 52 41.700 39.989 -1.123 1502 2HE2 GLN 52 2HE2 GLN 52 40.493 38.896 -1.716 1503 H THR 53 HN THR 53 40.252 43.736 -6.896 1504 HA THR 53 HA THR 53 40.106 45.944 -7.297 1505 HB THR 53 HB THR 53 39.294 47.151 -5.255 1506 HG1 THR 53 HG1 THR 53 39.545 45.820 -3.243 1507 1HG2 THR 53 1HG2 THR 53 38.325 44.413 -4.601 1508 2HG2 THR 53 2HG2 THR 53 37.393 45.866 -5.031 1509 3HG2 THR 53 3HG2 THR 53 38.122 44.865 -6.310 1510 H SER 54 HN SER 54 42.312 46.045 -8.174 1511 HA SER 54 HA SER 54 43.634 48.225 -7.114 1512 1HB SER 54 2HB SER 54 44.416 46.715 -5.345 1513 2HB SER 54 3HB SER 54 44.962 45.543 -6.529 1514 HG SER 54 HG SER 54 46.377 47.550 -5.483 1515 H LEU 55 HN LEU 55 43.451 48.807 -9.354 1516 HA LEU 55 HA LEU 55 44.150 49.007 -11.438 1517 1HB LEU 55 2HB LEU 55 46.442 48.248 -9.973 1518 2HB LEU 55 3HB LEU 55 46.491 47.340 -11.471 1519 HG LEU 55 HG LEU 55 46.048 50.328 -11.435 1520 1HD1 LEU 55 1HD1 LEU 55 48.166 50.755 -10.932 1521 2HD1 LEU 55 2HD1 LEU 55 48.372 49.035 -10.520 1522 3HD1 LEU 55 3HD1 LEU 55 48.743 49.607 -12.165 1523 1HD2 LEU 55 1HD2 LEU 55 45.805 48.503 -13.467 1524 2HD2 LEU 55 2HD2 LEU 55 46.129 50.242 -13.668 1525 3HD2 LEU 55 3HD2 LEU 55 47.476 49.078 -13.675 1526 H LEU 56 HN LEU 56 43.613 48.046 -13.389 1527 HA LEU 56 HA LEU 56 42.850 46.511 -14.779 1528 1HB LEU 56 2HB LEU 56 45.106 45.414 -13.804 1529 2HB LEU 56 3HB LEU 56 43.953 44.195 -13.297 1530 HG LEU 56 HG LEU 56 44.920 43.579 -15.419 1531 1HD1 LEU 56 1HD1 LEU 56 42.075 44.028 -15.050 1532 2HD1 LEU 56 2HD1 LEU 56 42.527 44.029 -16.772 1533 3HD1 LEU 56 3HD1 LEU 56 42.935 42.634 -15.746 1534 1HD2 LEU 56 1HD2 LEU 56 44.336 46.399 -16.119 1535 2HD2 LEU 56 2HD2 LEU 56 45.677 45.338 -16.614 1536 3HD2 LEU 56 3HD2 LEU 56 44.090 45.195 -17.407 Start of MODEL 7 1 1H5* G 276 1H5* G 276 53.516 11.559 -24.176 2 2H5* G 276 2H5* G 276 54.996 11.766 -25.111 3 H4* G 276 H4* G 276 54.255 13.935 -24.626 4 H3* G 276 H3* G 276 56.551 13.091 -22.898 5 H2* G 276 H2* G 276 56.560 15.193 -21.798 6 2HO* G 276 2HO* G 276 56.034 16.212 -23.872 7 H1* G 276 H1* G 276 53.850 15.210 -21.264 8 H8 G 276 H8 G 276 54.803 11.653 -21.077 9 H1 G 276 H1 G 276 56.575 14.981 -15.817 10 1H2 G 276 1H2 G 276 56.372 17.001 -16.180 11 2H2 G 276 2H2 G 276 55.807 17.690 -17.685 12 1H5* G 277 1H5* G 277 57.975 16.956 -24.116 13 2H5* G 277 2H5* G 277 59.568 16.644 -24.804 14 H4* G 277 H4* G 277 59.760 18.311 -23.091 15 H3* G 277 H3* G 277 60.946 15.633 -22.368 16 H2* G 277 H2* G 277 61.868 16.622 -20.417 17 2HO* G 277 2HO* G 277 62.224 18.581 -21.797 18 H1* G 277 H1* G 277 59.429 17.961 -19.819 19 H8 G 277 H8 G 277 58.694 14.465 -20.757 20 H1 G 277 H1 G 277 60.780 15.031 -14.657 21 1H2 G 277 1H2 G 277 61.533 16.928 -14.360 22 2H2 G 277 2H2 G 277 61.591 18.179 -15.582 23 1H5* C 278 1H5* C 278 64.076 18.522 -22.524 24 2H5* C 278 2H5* C 278 65.669 17.899 -22.953 25 H4* C 278 H4* C 278 65.663 18.920 -20.736 26 H3* C 278 H3* C 278 66.187 15.951 -20.874 27 H2* C 278 H2* C 278 66.737 15.990 -18.570 28 2HO* C 278 2HO* C 278 67.890 17.916 -18.570 29 H1* C 278 H1* C 278 64.511 17.633 -17.929 30 1H4 C 278 1H4 C 278 62.812 11.678 -16.318 31 2H4 C 278 2H4 C 278 62.265 11.424 -17.960 32 H5 C 278 H5 C 278 62.577 12.982 -19.707 33 H6 C 278 H6 C 278 63.501 15.190 -20.314 34 1H5* G 279 1H5* G 279 69.987 18.000 -19.688 35 2H5* G 279 2H5* G 279 71.394 16.986 -20.002 36 H4* G 279 H4* G 279 71.128 17.565 -17.623 37 H3* G 279 H3* G 279 71.028 14.664 -18.433 38 H2* G 279 H2* G 279 71.030 14.062 -16.130 39 2HO* G 279 2HO* G 279 72.506 15.858 -15.701 40 H1* G 279 H1* G 279 69.003 15.917 -15.506 41 H8 G 279 H8 G 279 68.010 14.424 -18.702 42 H1 G 279 H1 G 279 66.982 10.424 -13.719 43 1H2 G 279 1H2 G 279 67.948 11.147 -12.046 44 2H2 G 279 2H2 G 279 68.895 12.616 -12.000 45 1H5* G 280 1H5* G 280 75.119 14.540 -15.998 46 2H5* G 280 2H5* G 280 75.890 13.335 -17.028 47 H4* G 280 H4* G 280 75.731 12.701 -14.625 48 H3* G 280 H3* G 280 74.565 10.963 -16.777 49 H2* G 280 H2* G 280 73.964 9.333 -15.160 50 2HO* G 280 2HO* G 280 75.081 10.995 -13.129 51 H1* G 280 H1* G 280 72.769 11.155 -13.436 52 H8 G 280 H8 G 280 71.955 12.450 -16.768 53 H1 G 280 H1 G 280 68.408 7.260 -15.231 54 1H2 G 280 1H2 G 280 69.207 6.349 -13.564 55 2H2 G 280 2H2 G 280 70.627 6.908 -12.709 56 1H5* U 281 1H5* U 281 76.068 8.515 -14.709 57 2H5* U 281 2H5* U 281 77.555 7.699 -15.191 58 H4* U 281 H4* U 281 76.309 5.901 -14.568 59 H3* U 281 H3* U 281 75.673 6.322 -17.489 60 H2* U 281 H2* U 281 74.369 4.348 -17.440 61 2HO* U 281 2HO* U 281 75.497 4.106 -14.799 62 H1* U 281 H1* U 281 73.182 5.039 -14.946 63 H3 U 281 H3 U 281 69.687 4.998 -17.855 64 H5 U 281 H5 U 281 71.713 8.557 -18.728 65 H6 U 281 H6 U 281 73.480 7.811 -17.201 66 2HO* AP7 282 2HO* A 282 73.659 -0.704 -18.790 67 H2* AP7 282 H2* A 282 73.975 0.876 -20.710 68 H3* AP7 282 H3* A 282 76.061 1.992 -20.557 69 H4* AP7 282 H4* A 282 76.564 0.613 -17.924 70 H1* AP7 282 H1* A 282 73.332 1.420 -18.001 71 H8 AP7 282 H8 A 282 74.815 4.298 -19.927 72 H2 AP7 282 H2 A 282 68.876 1.905 -19.350 73 H1 AP7 282 H1 A 282 68.382 3.836 -20.411 74 1H6 AP7 282 1H6 A 282 68.951 5.849 -21.395 75 2H6 AP7 282 2H6 A 282 70.618 6.371 -21.479 76 2H5* AP7 282 2H5* A 282 78.355 1.974 -18.991 77 1H5* AP7 282 1H5* A 282 77.906 2.494 -17.367 78 1H5* C 283 1H5* C 283 76.003 -2.223 -21.436 79 2H5* C 283 2H5* C 283 76.167 -2.594 -23.152 80 H4* C 283 H4* C 283 73.900 -3.010 -22.246 81 H3* C 283 H3* C 283 74.282 -1.068 -24.512 82 H2* C 283 H2* C 283 71.926 -0.836 -24.697 83 2HO* C 283 2HO* C 283 71.739 -3.158 -24.212 84 H1* C 283 H1* C 283 71.555 -0.470 -21.946 85 1H4 C 283 1H4 C 283 71.980 5.386 -24.524 86 2H4 C 283 2H4 C 283 73.683 5.379 -24.128 87 H5 C 283 H5 C 283 74.827 3.497 -23.272 88 H6 C 283 H6 C 283 74.614 1.136 -22.578 89 1H5* U 284 1H5* U 284 71.341 -3.644 -26.110 90 2H5* U 284 2H5* U 284 72.006 -4.325 -27.594 91 H4* U 284 H4* U 284 69.869 -3.465 -28.126 92 H3* U 284 H3* U 284 72.116 -1.741 -29.137 93 H2* U 284 H2* U 284 70.541 -0.348 -30.241 94 2HO* U 284 2HO* U 284 69.276 -2.274 -30.770 95 H1* U 284 H1* U 284 68.876 -0.134 -28.002 96 H3 U 284 H3 U 284 70.744 3.988 -28.317 97 H5 U 284 H5 U 284 73.791 1.616 -26.697 98 H6 U 284 H6 U 284 72.350 -0.329 -27.089 99 1H5* A 285 1H5* A 285 69.596 -2.648 -32.856 100 2H5* A 285 2H5* A 285 70.819 -2.638 -34.126 101 H4* A 285 H4* A 285 68.936 -0.994 -34.398 102 H3* A 285 H3* A 285 71.824 -0.172 -34.476 103 H2* A 285 H2* A 285 71.193 2.060 -34.971 104 2HO* A 285 2HO* A 285 68.597 0.827 -35.137 105 H1* A 285 H1* A 285 69.225 2.118 -32.948 106 H8 A 285 H8 A 285 72.242 0.398 -31.652 107 1H6 A 285 1H6 A 285 74.560 6.035 -30.308 108 2H6 A 285 2H6 A 285 74.792 4.315 -30.082 109 H2 A 285 H2 A 285 70.920 6.586 -32.796 110 1H5* G 286 1H5* G 286 70.044 1.607 -37.765 111 2H5* G 286 2H5* G 286 71.000 1.368 -39.228 112 H4* G 286 H4* G 286 70.684 3.692 -39.017 113 H3* G 286 H3* G 286 73.460 2.873 -38.160 114 H2* G 286 H2* G 286 74.033 5.167 -38.002 115 2HO* G 286 2HO* G 286 71.410 5.561 -39.125 116 H1* G 286 H1* G 286 71.580 5.801 -36.693 117 H8 G 286 H8 G 286 73.079 2.772 -35.181 118 H1 G 286 H1 G 286 75.769 8.252 -33.030 119 1H2 G 286 1H2 G 286 75.146 9.830 -34.201 120 2H2 G 286 2H2 G 286 74.059 9.690 -35.564 121 1H5* U 287 1H5* U 287 73.569 5.698 -41.185 122 2H5* U 287 2H5* U 287 74.951 5.660 -42.279 123 H4* U 287 H4* U 287 74.851 7.791 -41.162 124 H3* U 287 H3* U 287 77.156 6.021 -40.355 125 H2* U 287 H2* U 287 78.058 7.835 -39.115 126 2HO* U 287 2HO* U 287 77.335 9.296 -40.836 127 H1* U 287 H1* U 287 75.532 8.445 -37.966 128 H3 U 287 H3 U 287 78.226 7.146 -34.510 129 H5 U 287 H5 U 287 76.977 3.572 -36.300 130 H6 U 287 H6 U 287 76.016 4.926 -38.104 131 1H5* U 288 1H5* U 288 79.007 9.399 -41.913 132 2H5* U 288 2H5* U 288 80.465 9.043 -42.839 133 H4* U 288 H4* U 288 81.073 10.417 -40.990 134 H3* U 288 H3* U 288 81.942 7.541 -40.674 135 H2* U 288 H2* U 288 83.181 8.181 -38.763 136 2HO* U 288 2HO* U 288 83.828 10.145 -39.916 137 H1* U 288 H1* U 288 81.067 9.848 -37.810 138 H3 U 288 H3 U 288 81.618 6.655 -34.600 139 H5 U 288 H5 U 288 79.494 4.730 -37.653 140 H6 U 288 H6 U 288 79.870 6.720 -39.035 141 1H5* G 289 1H5* G 289 85.427 9.325 -40.781 142 2H5* G 289 2H5* G 289 86.742 8.577 -41.686 143 H4* G 289 H4* G 289 87.370 8.444 -39.429 144 H3* G 289 H3* G 289 86.289 5.792 -40.389 145 H2* G 289 H2* G 289 86.976 4.834 -38.339 146 2HO* G 289 2HO* G 289 88.249 6.472 -36.946 147 H1* G 289 H1* G 289 86.037 7.092 -36.850 148 H8 G 289 H8 G 289 83.716 5.610 -39.433 149 H1 G 289 H1 G 289 83.165 2.994 -33.541 150 1H2 G 289 1H2 G 289 84.674 3.704 -32.328 151 2H2 G 289 2H2 G 289 85.906 4.838 -32.832 152 1H5* A 290 1H5* A 290 88.213 2.332 -41.312 153 2H5* A 290 2H5* A 290 87.571 3.158 -39.893 154 H4* A 290 H4* A 290 89.131 0.955 -39.804 155 H3* A 290 H3* A 290 88.578 3.106 -37.811 156 H2* A 290 H2* A 290 90.243 2.304 -36.334 157 2HO* A 290 2HO* A 290 90.370 0.172 -38.267 158 H1* A 290 H1* A 290 92.244 2.130 -38.200 159 H8 A 290 H8 A 290 89.606 4.834 -38.735 160 1H6 A 290 1H6 A 290 93.652 8.682 -35.947 161 2H6 A 290 2H6 A 290 92.110 8.600 -36.770 162 H2 A 290 H2 A 290 95.313 4.564 -35.786 163 1H5* G 291 1H5* G 291 89.588 -0.022 -34.947 164 2H5* G 291 2H5* G 291 88.195 0.139 -33.876 165 H4* G 291 H4* G 291 90.385 0.590 -32.789 166 H3* G 291 H3* G 291 88.157 2.576 -32.765 167 H2* G 291 H2* G 291 89.460 4.153 -31.561 168 2HO* G 291 2HO* G 291 91.484 2.107 -31.583 169 H1* G 291 H1* G 291 91.666 3.933 -33.256 170 H8 G 291 H8 G 291 88.105 3.793 -34.641 171 H1 G 291 H1 G 291 90.980 9.581 -34.986 172 1H2 G 291 1H2 G 291 92.815 9.495 -34.051 173 2H2 G 291 2H2 G 291 93.477 8.067 -33.285 174 1H5* A 292 1H5* A 292 86.433 0.275 -27.641 175 2H5* A 292 2H5* A 292 85.729 1.412 -28.791 176 H4* A 292 H4* A 292 88.132 1.664 -27.082 177 H3* A 292 H3* A 292 85.962 3.504 -28.082 178 H2* A 292 H2* A 292 87.332 5.358 -27.516 179 2HO* A 292 2HO* A 292 88.516 4.920 -25.753 180 H1* A 292 H1* A 292 89.630 4.137 -28.679 181 H8 A 292 H8 A 292 86.296 4.147 -30.512 182 1H6 A 292 1H6 A 292 88.469 9.166 -33.517 183 2H6 A 292 2H6 A 292 87.145 8.026 -33.437 184 H2 A 292 H2 A 292 91.402 8.052 -30.371 185 1H5* A 293 1H5* A 293 86.932 6.479 -25.138 186 2H5* A 293 2H5* A 293 85.248 6.930 -24.875 187 H4* A 293 H4* A 293 86.821 8.508 -26.208 188 H3* A 293 H3* A 293 83.971 7.838 -26.874 189 H2* A 293 H2* A 293 84.044 9.306 -28.737 190 2HO* A 293 2HO* A 293 85.997 10.652 -28.904 191 H1* A 293 H1* A 293 86.438 8.305 -29.726 192 H8 A 293 H8 A 293 84.738 5.361 -28.333 193 1H6 A 293 1H6 A 293 81.333 5.100 -33.556 194 2H6 A 293 2H6 A 293 81.765 4.231 -32.101 195 H2 A 293 H2 A 293 83.494 8.982 -33.498 196 1H5* A 294 1H5* A 294 84.677 12.211 -27.732 197 2H5* A 294 2H5* A 294 83.393 12.917 -26.749 198 H4* A 294 H4* A 294 83.285 13.874 -28.932 199 H3* A 294 H3* A 294 81.053 12.002 -28.233 200 H2* A 294 H2* A 294 80.015 12.385 -30.332 201 2HO* A 294 2HO* A 294 82.147 14.307 -30.577 202 H1* A 294 H1* A 294 82.412 12.025 -31.766 203 H8 A 294 H8 A 294 82.079 9.555 -28.977 204 1H6 A 294 1H6 A 294 78.938 5.944 -32.983 205 2H6 A 294 2H6 A 294 79.675 5.994 -31.397 206 H2 A 294 H2 A 294 79.539 9.921 -34.873 207 1H5* C 295 1H5* C 295 79.747 15.381 -29.707 208 2H5* C 295 2H5* C 295 78.352 16.276 -29.101 209 H4* C 295 H4* C 295 77.854 15.828 -31.339 210 H3* C 295 H3* C 295 76.434 13.880 -29.531 211 H2* C 295 H2* C 295 75.293 13.007 -31.418 212 2HO* C 295 2HO* C 295 74.871 14.812 -32.604 213 H1* C 295 H1* C 295 77.656 12.914 -32.978 214 1H4 C 295 1H4 C 295 76.875 6.925 -30.914 215 2H4 C 295 2H4 C 295 77.535 7.383 -29.359 216 H5 C 295 H5 C 295 78.102 9.598 -28.770 217 H6 C 295 H6 C 295 78.175 11.945 -29.537 218 1H5* U 296 1H5* U 296 73.510 15.995 -31.651 219 2H5* U 296 2H5* U 296 71.966 16.239 -30.834 220 H4* U 296 H4* U 296 71.632 14.919 -32.815 221 H3* U 296 H3* U 296 71.281 13.412 -30.223 222 H2* U 296 H2* U 296 70.458 11.572 -31.458 223 2HO* U 296 2HO* U 296 69.274 13.093 -32.828 224 H1* U 296 H1* U 296 72.476 11.881 -33.464 225 H3 U 296 H3 U 296 73.032 7.715 -31.636 226 H5 U 296 H5 U 296 74.867 10.347 -28.944 227 H6 U 296 H6 U 296 73.898 12.191 -30.239 228 1H5* A 297 1H5* A 297 67.439 13.529 -32.173 229 2H5* A 297 2H5* A 297 66.080 13.442 -31.052 230 H4* A 297 H4* A 297 66.038 11.554 -32.553 231 H3* A 297 H3* A 297 66.626 10.948 -29.667 232 H2* A 297 H2* A 297 66.568 8.622 -30.153 233 2HO* A 297 2HO* A 297 65.774 9.593 -32.747 234 H1* A 297 H1* A 297 68.218 8.939 -32.433 235 H8 A 297 H8 A 297 69.634 11.003 -29.732 236 1H6 A 297 1H6 A 297 72.382 5.852 -27.527 237 2H6 A 297 2H6 A 297 72.321 7.595 -27.391 238 H2 A 297 H2 A 297 69.451 4.641 -30.639 239 1H5* G 298 1H5* G 298 63.520 7.850 -31.015 240 2H5* G 298 2H5* G 298 62.374 8.065 -29.694 241 H4* G 298 H4* G 298 62.934 5.730 -29.942 242 H3* G 298 H3* G 298 63.838 7.096 -27.429 243 H2* G 298 H2* G 298 64.727 5.056 -26.601 244 2HO* G 298 2HO* G 298 64.257 3.129 -27.938 245 H1* G 298 H1* G 298 65.998 4.487 -29.083 246 H8 G 298 H8 G 298 66.629 8.017 -28.253 247 H1 G 298 H1 G 298 70.414 3.974 -24.904 248 1H2 G 298 1H2 G 298 69.720 2.044 -25.118 249 2H2 G 298 2H2 G 298 68.320 1.589 -26.064 250 1H5* C 299 1H5* C 299 62.325 3.899 -26.390 251 2H5* C 299 2H5* C 299 61.127 3.697 -25.111 252 H4* C 299 H4* C 299 63.073 2.411 -24.567 253 H3* C 299 H3* C 299 62.586 4.821 -22.843 254 H2* C 299 H2* C 299 64.463 4.297 -21.516 255 2HO* C 299 2HO* C 299 63.926 2.046 -21.526 256 H1* C 299 H1* C 299 66.018 3.582 -23.831 257 1H4 C 299 1H4 C 299 68.335 9.175 -21.738 258 2H4 C 299 2H4 C 299 67.134 9.990 -22.716 259 H5 C 299 H5 C 299 65.414 8.874 -23.888 260 H6 C 299 H6 C 299 64.412 6.680 -24.414 261 1H5* U 300 1H5* U 300 62.645 0.882 -20.634 262 2H5* U 300 2H5* U 300 61.693 0.954 -19.151 263 H4* U 300 H4* U 300 63.903 0.103 -18.682 264 H3* U 300 H3* U 300 63.259 2.818 -17.551 265 H2* U 300 H2* U 300 65.330 2.820 -16.403 266 2HO* U 300 2HO* U 300 66.552 0.672 -16.699 267 H1* U 300 H1* U 300 66.816 1.986 -18.611 268 H3 U 300 H3 U 300 67.987 6.343 -18.235 269 H5 U 300 H5 U 300 64.132 6.483 -19.866 270 H6 U 300 H6 U 300 64.008 4.058 -19.524 271 1H5* C 301 1H5* C 301 63.374 0.115 -14.026 272 2H5* C 301 2H5* C 301 62.802 0.930 -12.570 273 H4* C 301 H4* C 301 65.260 0.617 -12.656 274 H3* C 301 H3* C 301 64.059 3.350 -12.374 275 H2* C 301 H2* C 301 66.211 4.329 -12.238 276 2HO* C 301 2HO* C 301 67.256 1.661 -12.393 277 H1* C 301 H1* C 301 67.174 2.740 -14.415 278 1H4 C 301 1H4 C 301 66.255 8.602 -16.805 279 2H4 C 301 2H4 C 301 64.573 8.200 -17.065 280 H5 C 301 H5 C 301 63.572 6.189 -16.334 281 H6 C 301 H6 C 301 63.943 4.048 -15.161 282 1H5* U 302 1H5* U 302 66.646 3.274 -9.948 283 2H5* U 302 2H5* U 302 66.522 3.461 -8.200 284 H4* U 302 H4* U 302 67.882 5.211 -8.558 285 H3* U 302 H3* U 302 65.161 6.335 -9.175 286 H2* U 302 H2* U 302 66.148 8.435 -9.668 287 2HO* U 302 2HO* U 302 68.060 8.843 -8.674 288 H1* U 302 H1* U 302 68.175 7.297 -11.257 289 H3 U 302 H3 U 302 65.878 9.168 -14.617 290 H5 U 302 H5 U 302 63.102 6.483 -12.998 291 H6 U 302 H6 U 302 64.754 5.979 -11.257 292 1H5* G 303 1H5* G 303 66.982 8.714 -6.715 293 2H5* G 303 2H5* G 303 66.206 9.588 -5.394 294 H4* G 303 H4* G 303 66.925 11.270 -6.824 295 H3* G 303 H3* G 303 64.014 10.699 -7.409 296 H2* G 303 H2* G 303 64.000 12.567 -8.843 297 2HO* G 303 2HO* G 303 65.235 13.745 -7.206 298 H1* G 303 H1* G 303 66.644 11.953 -9.821 299 H8 G 303 H8 G 303 64.290 9.071 -9.978 300 H1 G 303 H1 G 303 63.791 13.065 -15.046 301 1H2 G 303 1H2 G 303 64.866 14.786 -14.675 302 2H2 G 303 2H2 G 303 65.768 15.099 -13.210 303 1H5* U 304 1H5* U 304 60.804 13.065 -7.087 304 2H5* U 304 2H5* U 304 62.296 12.456 -7.806 305 H4* U 304 H4* U 304 62.413 15.322 -7.258 306 H3* U 304 H3* U 304 60.049 14.299 -8.765 307 H2* U 304 H2* U 304 60.345 15.871 -10.506 308 2HO* U 304 2HO* U 304 62.369 16.876 -8.719 309 H1* U 304 H1* U 304 63.013 15.397 -10.906 310 H3 U 304 H3 U 304 60.442 13.225 -14.090 311 H5 U 304 H5 U 304 61.187 10.429 -11.063 312 H6 U 304 H6 U 304 62.069 12.275 -9.711 313 1H5* A 305 1H5* A 305 59.273 18.047 -5.997 314 2H5* A 305 2H5* A 305 57.575 18.377 -5.655 315 H4* A 305 H4* A 305 58.308 19.724 -7.511 316 H3* A 305 H3* A 305 56.321 17.560 -8.142 317 H2* A 305 H2* A 305 56.219 18.285 -10.393 318 2HO* A 305 2HO* A 305 56.375 20.523 -9.520 319 H1* A 305 H1* A 305 59.056 18.559 -10.553 320 H8 A 305 H8 A 305 58.162 15.329 -8.975 321 1H6 A 305 1H6 A 305 57.583 12.970 -14.724 322 2H6 A 305 2H6 A 305 57.649 12.562 -13.024 323 H2 A 305 H2 A 305 57.978 17.383 -15.066 324 1H5* U 306 1H5* U 306 52.283 19.070 -5.897 325 2H5* U 306 2H5* U 306 52.117 20.822 -5.782 326 H4* U 306 H4* U 306 52.396 19.185 -3.660 327 H3* U 306 H3* U 306 53.242 22.073 -3.959 328 H2* U 306 H2* U 306 54.107 22.009 -1.830 329 2HO* U 306 2HO* U 306 51.920 21.398 -1.174 330 H1* U 306 H1* U 306 54.259 19.023 -1.985 331 H3 U 306 H3 U 306 58.345 18.941 -0.210 332 H5 U 306 H5 U 306 58.427 22.501 -2.414 333 H6 U 306 H6 U 306 56.118 22.022 -3.087 334 1H5* C 307 1H5* C 307 49.682 20.551 -0.505 335 2H5* C 307 2H5* C 307 48.072 19.978 -0.940 336 H4* C 307 H4* C 307 47.921 21.964 0.429 337 H3* C 307 H3* C 307 47.030 22.258 -2.434 338 H2* C 307 H2* C 307 46.260 24.445 -1.945 339 2HO* C 307 2HO* C 307 45.501 24.581 0.082 340 H1* C 307 H1* C 307 48.611 25.082 -0.478 341 1H4 C 307 1H4 C 307 49.202 27.793 -6.262 342 2H4 C 307 2H4 C 307 50.064 26.363 -6.781 343 H5 C 307 H5 C 307 50.293 24.414 -5.464 344 H6 C 307 H6 C 307 49.746 23.351 -3.304 345 1H5* U 308 1H5* U 308 43.729 19.555 -2.258 346 2H5* U 308 2H5* U 308 42.071 19.751 -1.695 347 H4* U 308 H4* U 308 42.624 17.807 -0.645 348 H3* U 308 H3* U 308 43.434 19.996 1.274 349 H2* U 308 H2* U 308 44.225 18.404 2.733 350 2HO* U 308 2HO* U 308 42.031 17.526 2.654 351 H1* U 308 H1* U 308 44.449 16.457 0.470 352 H3 U 308 H3 U 308 48.672 15.257 1.329 353 H5 U 308 H5 U 308 48.345 18.911 3.349 354 H6 U 308 H6 U 308 46.077 19.101 2.436 355 1H5* G 309 1H5* G 309 41.199 18.588 5.419 356 2H5* G 309 2H5* G 309 39.857 19.401 4.616 357 H4* G 309 H4* G 309 40.415 20.526 6.683 358 H3* G 309 H3* G 309 40.922 22.032 4.133 359 H2* G 309 H2* G 309 41.622 23.923 5.351 360 2HO* G 309 2HO* G 309 39.917 23.697 6.879 361 H1* G 309 H1* G 309 43.035 22.239 7.242 362 H8 G 309 H8 G 309 43.360 22.543 3.427 363 H1 G 309 H1 G 309 48.244 25.039 6.860 364 1H2 G 309 1H2 G 309 47.842 24.844 8.874 365 2H2 G 309 2H2 G 309 46.396 24.113 9.533 366 1H5* G 310 1H5* G 310 40.240 25.330 5.637 367 2H5* G 310 2H5* G 310 38.561 24.918 5.987 368 H4* G 310 H4* G 310 39.484 27.390 5.258 369 H3* G 310 H3* G 310 36.719 26.184 5.123 370 H2* G 310 H2* G 310 35.917 28.253 4.302 371 2HO* G 310 2HO* G 310 38.359 29.572 4.368 372 H1* G 310 H1* G 310 38.198 28.537 2.578 373 H8 G 310 H8 G 310 36.810 25.182 2.087 374 H1 G 310 H1 G 310 33.314 29.727 -0.914 375 1H2 G 310 1H2 G 310 33.891 31.592 -0.247 376 2H2 G 310 2H2 G 310 35.136 31.881 0.948 377 1H5* C 311 1H5* C 311 36.756 29.607 7.370 378 2H5* C 311 2H5* C 311 35.875 29.701 8.895 379 H4* C 311 H4* C 311 35.114 31.528 7.660 380 H3* C 311 H3* C 311 33.141 29.258 7.510 381 H2* C 311 H2* C 311 31.641 30.675 6.327 382 2HO* C 311 2HO* C 311 32.917 32.417 7.763 383 H1* C 311 H1* C 311 33.675 31.571 4.579 384 1H4 C 311 1H4 C 311 30.535 27.002 1.386 385 2H4 C 311 2H4 C 311 31.586 25.812 2.119 386 H5 C 311 H5 C 311 33.175 26.312 3.793 387 H6 C 311 H6 C 311 34.159 28.096 5.188 388 1H5* G 312 1H5* G 312 30.258 32.806 9.486 389 2H5* G 312 2H5* G 312 28.956 31.637 9.699 390 H4* G 312 H4* G 312 28.889 33.717 7.968 391 H3* G 312 H3* G 312 27.415 31.111 8.026 392 H2* G 312 H2* G 312 26.392 31.589 5.932 393 2HO* G 312 2HO* G 312 26.801 33.762 5.067 394 H1* G 312 H1* G 312 28.756 32.195 4.648 395 H8 G 312 H8 G 312 30.041 29.649 6.833 396 H1 G 312 H1 G 312 26.077 27.080 2.410 397 1H2 G 312 1H2 G 312 24.988 28.580 1.506 398 2H2 G 312 2H2 G 312 25.128 30.281 1.889 399 1H5* G 313 1H5* G 313 24.879 33.654 5.730 400 2H5* G 313 2H5* G 313 23.500 33.823 6.818 401 H4* G 313 H4* G 313 22.643 33.230 4.694 402 H3* G 313 H3* G 313 22.568 30.987 6.691 403 H2* G 313 H2* G 313 21.468 29.599 5.114 404 2HO* G 313 2HO* G 313 20.286 31.555 4.396 405 H1* G 313 H1* G 313 23.234 30.141 3.045 406 H8 G 313 H8 G 313 25.051 30.113 6.321 407 H1 G 313 H1 G 313 24.240 24.235 3.739 408 1H2 G 313 1H2 G 313 22.955 24.361 2.130 409 2H2 G 313 2H2 G 313 22.210 25.839 1.565 410 1H5* A 314 1H5* A 314 18.368 31.602 4.823 411 2H5* A 314 2H5* A 314 17.271 30.924 6.026 412 H4* A 314 H4* A 314 17.092 29.892 3.771 413 H3* A 314 H3* A 314 17.715 28.221 6.188 414 H2* A 314 H2* A 314 17.601 26.251 4.856 415 2HO* A 314 2HO* A 314 17.113 26.917 2.445 416 H1* A 314 H1* A 314 19.306 27.237 2.898 417 H8 A 314 H8 A 314 20.309 28.486 6.290 418 1H6 A 314 1H6 A 314 23.713 23.282 6.820 419 2H6 A 314 2H6 A 314 23.364 24.829 7.559 420 H2 A 314 H2 A 314 21.208 22.940 3.166 421 1H5* C 315 1H5* C 315 16.032 25.457 3.897 422 2H5* C 315 2H5* C 315 14.447 25.206 4.627 423 H4* C 315 H4* C 315 15.702 23.113 4.240 424 H3* C 315 H3* C 315 14.194 23.673 6.476 425 H2* C 315 H2* C 315 15.980 24.065 7.954 426 2HO* C 315 2HO* C 315 15.618 21.225 7.642 427 H1* C 315 H1* C 315 17.654 21.860 6.739 428 1H4 C 315 1H4 C 315 22.447 25.229 9.194 429 2H4 C 315 2H4 C 315 21.530 26.713 9.058 430 H5 C 315 H5 C 315 19.343 26.832 8.175 431 H6 C 315 H6 C 315 17.478 25.543 7.196 432 1H5* C 316 1H5* C 316 13.880 18.899 3.844 433 2H5* C 316 2H5* C 316 15.456 19.443 4.417 434 H4* C 316 H4* C 316 14.516 19.066 1.580 435 H3* C 316 H3* C 316 16.559 17.758 3.328 436 H2* C 316 H2* C 316 18.057 17.486 1.518 437 2HO* C 316 2HO* C 316 16.147 17.009 0.161 438 H1* C 316 H1* C 316 17.906 20.071 0.608 439 1H4 C 316 1H4 C 316 22.482 20.214 5.075 440 2H4 C 316 2H4 C 316 21.265 20.605 6.268 441 H5 C 316 H5 C 316 18.947 20.642 5.818 442 H6 C 316 H6 C 316 17.210 20.310 4.095 443 1H5* C 317 1H5* C 317 15.901 14.862 0.372 444 2H5* C 317 2H5* C 317 15.644 13.238 1.009 445 H4* C 317 H4* C 317 17.532 13.096 -0.386 446 H3* C 317 H3* C 317 18.270 13.116 2.529 447 H2* C 317 H2* C 317 20.549 12.751 1.942 448 2HO* C 317 2HO* C 317 19.820 11.361 0.169 449 H1* C 317 H1* C 317 20.560 14.800 0.039 450 1H4 C 317 1H4 C 317 22.731 17.592 5.353 451 2H4 C 317 2H4 C 317 21.085 17.783 5.915 452 H5 C 317 H5 C 317 19.201 16.909 4.790 453 H6 C 317 H6 C 317 18.426 15.623 2.830 454 1H5* G 318 1H5* G 318 19.816 9.549 0.989 455 2H5* G 318 2H5* G 318 19.282 8.111 1.859 456 H4* G 318 H4* G 318 21.632 7.970 1.700 457 H3* G 318 H3* G 318 20.681 8.740 4.443 458 H2* G 318 H2* G 318 22.914 8.706 5.244 459 2HO* G 318 2HO* G 318 23.329 7.605 2.620 460 H1* G 318 H1* G 318 23.928 10.230 3.151 461 H8 G 318 H8 G 318 20.446 11.249 4.188 462 H1 G 318 H1 G 318 25.174 14.128 7.541 463 1H2 G 318 1H2 G 318 26.984 13.265 7.059 464 2H2 G 318 2H2 G 318 27.190 11.955 5.917 465 1H5* U 319 1H5* U 319 22.292 5.953 5.404 466 2H5* U 319 2H5* U 319 21.961 4.657 6.552 467 H4* U 319 H4* U 319 22.241 7.533 6.985 468 H3* U 319 H3* U 319 22.540 5.035 8.640 469 H2* U 319 H2* U 319 22.576 6.389 10.605 470 2HO* U 319 2HO* U 319 23.051 8.540 10.331 471 H1* U 319 H1* U 319 20.282 7.818 9.780 472 H3 U 319 H3 U 319 18.206 5.608 13.067 473 H5 U 319 H5 U 319 19.709 2.495 10.703 474 H6 U 319 H6 U 319 20.765 4.204 9.297 475 1H5* G 320 1H5* G 320 24.976 7.836 6.903 476 2H5* G 320 2H5* G 320 25.390 7.787 5.190 477 H4* G 320 H4* G 320 27.718 6.976 6.016 478 H3* G 320 H3* G 320 26.466 7.680 8.592 479 H2* G 320 H2* G 320 28.210 9.116 9.299 480 2HO* G 320 2HO* G 320 29.433 8.167 6.868 481 H1* G 320 H1* G 320 28.288 10.645 7.037 482 H8 G 320 H8 G 320 24.769 9.759 6.981 483 H1 G 320 H1 G 320 26.079 13.940 11.744 484 1H2 G 320 1H2 G 320 28.119 14.047 12.025 485 2H2 G 320 2H2 G 320 29.299 13.139 11.107 486 1H5* G 321 1H5* G 321 30.686 7.336 9.517 487 2H5* G 321 2H5* G 321 30.760 6.168 10.836 488 H4* G 321 H4* G 321 31.949 8.161 11.459 489 H3* G 321 H3* G 321 29.414 7.593 12.953 490 H2* G 321 H2* G 321 29.746 9.503 14.321 491 2HO* G 321 2HO* G 321 32.206 9.790 12.853 492 H1* G 321 H1* G 321 30.383 11.124 12.063 493 H8 G 321 H8 G 321 27.395 9.285 11.104 494 H1 G 321 H1 G 321 26.036 13.994 15.330 495 1H2 G 321 1H2 G 321 27.785 14.688 16.174 496 2H2 G 321 2H2 G 321 29.383 14.084 15.793 497 1H5* U 322 1H5* U 322 32.347 6.775 16.274 498 2H5* U 322 2H5* U 322 31.427 5.904 17.500 499 H4* U 322 H4* U 322 31.947 8.351 17.947 500 H3* U 322 H3* U 322 29.206 7.148 18.202 501 H2* U 322 H2* U 322 28.335 9.213 18.933 502 2HO* U 322 2HO* U 322 29.955 9.858 20.303 503 H1* U 322 H1* U 322 29.931 10.638 16.982 504 H3 U 322 H3 U 322 25.599 11.918 16.244 505 H5 U 322 H5 U 322 25.917 8.118 14.513 506 H6 U 322 H6 U 322 28.129 7.937 15.555 507 1H5* G 323 1H5* G 323 30.152 8.243 22.666 508 2H5* G 323 2H5* G 323 29.726 6.709 23.424 509 H4* G 323 H4* G 323 28.530 8.322 24.617 510 H3* G 323 H3* G 323 26.789 6.881 22.645 511 H2* G 323 H2* G 323 24.888 8.107 23.398 512 2HO* G 323 2HO* G 323 26.221 9.759 25.156 513 H1* G 323 H1* G 323 26.129 10.572 23.134 514 H8 G 323 H8 G 323 27.414 8.378 20.422 515 H1 G 323 H1 G 323 21.610 10.919 19.107 516 1H2 G 323 1H2 G 323 20.843 11.802 20.806 517 2H2 G 323 2H2 G 323 21.653 11.846 22.357 518 1H5* G 324 1H5* G 324 23.583 4.134 23.860 519 2H5* G 324 2H5* G 324 23.896 4.396 22.145 520 H4* G 324 H4* G 324 22.719 6.778 23.014 521 H3* G 324 H3* G 324 21.715 4.577 24.680 522 H2* G 324 H2* G 324 19.446 4.801 24.076 523 2HO* G 324 2HO* G 324 18.936 6.874 23.697 524 H1* G 324 H1* G 324 19.772 4.786 21.390 525 H8 G 324 H8 G 324 22.700 2.828 22.000 526 H1 G 324 H1 G 324 17.393 -0.486 23.655 527 1H2 G 324 1H2 G 324 15.789 0.801 23.781 528 2H2 G 324 2H2 G 324 15.868 2.524 23.483 529 1H5* A 325 1H5* A 325 19.084 7.364 25.775 530 2H5* A 325 2H5* A 325 19.244 7.867 27.458 531 H4* A 325 H4* A 325 17.020 7.268 27.319 532 H3* A 325 H3* A 325 18.610 4.981 28.427 533 H2* A 325 H2* A 325 16.651 3.658 28.619 534 2HO* A 325 2HO* A 325 15.401 6.128 27.824 535 H1* A 325 H1* A 325 15.758 4.228 26.034 536 H8 A 325 H8 A 325 19.414 3.927 25.760 537 1H6 A 325 1H6 A 325 18.685 -2.270 25.614 538 2H6 A 325 2H6 A 325 19.831 -0.973 25.369 539 H2 A 325 H2 A 325 14.810 -0.442 26.790 540 1H5* A 326 1H5* A 326 16.433 5.608 32.649 541 2H5* A 326 2H5* A 326 17.412 4.348 33.402 542 H4* A 326 H4* A 326 14.855 3.990 32.838 543 H3* A 326 H3* A 326 17.109 2.033 32.844 544 H2* A 326 H2* A 326 15.702 0.292 32.026 545 2HO* A 326 2HO* A 326 13.912 1.214 33.272 546 H1* A 326 H1* A 326 14.769 1.783 29.885 547 H8 A 326 H8 A 326 18.096 3.063 29.855 548 1H6 A 326 1H6 A 326 20.189 -2.383 27.638 549 2H6 A 326 2H6 A 326 20.605 -0.703 27.896 550 H2 A 326 H2 A 326 16.051 -2.991 29.139 551 1H5* C 327 1H5* C 327 14.009 -0.242 34.638 552 2H5* C 327 2H5* C 327 14.669 -0.993 36.091 553 H4* C 327 H4* C 327 13.730 -2.625 34.508 554 H3* C 327 H3* C 327 16.636 -2.770 35.244 555 H2* C 327 H2* C 327 16.890 -4.742 33.945 556 2HO* C 327 2HO* C 327 14.039 -4.425 33.697 557 H1* C 327 H1* C 327 15.671 -3.681 31.691 558 1H4 C 327 1H4 C 327 21.955 -2.418 31.222 559 2H4 C 327 2H4 C 327 21.583 -0.782 31.713 560 H5 C 327 H5 C 327 19.451 -0.080 32.449 561 H6 C 327 H6 C 327 17.127 -0.785 32.897 562 1H5* U 328 1H5* U 328 15.254 -6.568 35.481 563 2H5* U 328 2H5* U 328 15.534 -7.292 37.065 564 H4* U 328 H4* U 328 16.351 -8.820 35.460 565 H3* U 328 H3* U 328 18.559 -7.328 36.865 566 H2* U 328 H2* U 328 20.150 -8.722 35.774 567 2HO* U 328 2HO* U 328 17.785 -10.032 34.774 568 H1* U 328 H1* U 328 18.924 -8.376 33.257 569 H3 U 328 H3 U 328 23.108 -6.372 33.420 570 H5 U 328 H5 U 328 20.333 -3.444 34.545 571 H6 U 328 H6 U 328 18.652 -5.225 34.667 572 1H5* G 329 1H5* G 329 19.754 -11.144 38.810 573 2H5* G 329 2H5* G 329 20.361 -10.514 40.342 574 H4* G 329 H4* G 329 22.085 -11.496 38.802 575 H3* G 329 H3* G 329 22.326 -8.720 39.926 576 H2* G 329 H2* G 329 24.470 -8.493 38.920 577 2HO* G 329 2HO* G 329 25.521 -10.367 38.404 578 H1* G 329 H1* G 329 23.527 -9.452 36.430 579 H8 G 329 H8 G 329 21.000 -7.137 37.800 580 H1 G 329 H1 G 329 26.019 -4.049 35.126 581 1H2 G 329 1H2 G 329 27.540 -5.394 34.761 582 2H2 G 329 2H2 G 329 27.465 -7.103 35.124 583 1H5* U 330 1H5* U 330 22.842 -6.979 41.859 584 2H5* U 330 2H5* U 330 23.709 -7.418 40.387 585 H4* U 330 H4* U 330 24.336 -5.286 41.849 586 H3* U 330 H3* U 330 25.535 -6.430 39.711 587 H2* U 330 H2* U 330 26.928 -7.957 40.834 588 2HO* U 330 2HO* U 330 28.171 -5.359 40.869 589 H1* U 330 H1* U 330 27.648 -6.030 43.027 590 H3 U 330 H3 U 330 28.362 -9.099 46.224 591 H5 U 330 H5 U 330 26.477 -11.316 43.212 592 H6 U 330 H6 U 330 26.187 -9.214 41.983 593 1H5* G 331 1H5* G 331 29.120 -3.860 39.695 594 2H5* G 331 2H5* G 331 28.969 -3.139 38.093 595 H4* G 331 H4* G 331 30.977 -4.431 38.163 596 H3* G 331 H3* G 331 28.778 -5.535 36.455 597 H2* G 331 H2* G 331 30.132 -7.368 35.802 598 2HO* G 331 2HO* G 331 32.035 -5.650 37.040 599 H1* G 331 H1* G 331 30.980 -7.874 38.456 600 H8 G 331 H8 G 331 27.318 -7.115 38.178 601 H1 G 331 H1 G 331 28.789 -13.331 37.134 602 1H2 G 331 1H2 G 331 30.836 -13.541 36.997 603 2H2 G 331 2H2 G 331 31.983 -12.227 37.144 604 1H5* A 332 1H5* A 332 31.558 -2.977 33.360 605 2H5* A 332 2H5* A 332 30.860 -3.348 31.784 606 H4* A 332 H4* A 332 32.951 -4.631 32.520 607 H3* A 332 H3* A 332 30.490 -5.910 31.354 608 H2* A 332 H2* A 332 31.600 -8.014 31.356 609 2HO* A 332 2HO* A 332 33.608 -6.894 30.782 610 H1* A 332 H1* A 332 32.491 -7.707 34.008 611 H8 A 332 H8 A 332 28.981 -6.478 33.490 612 1H6 A 332 1H6 A 332 27.127 -12.297 34.771 613 2H6 A 332 2H6 A 332 26.573 -10.661 34.502 614 H2 A 332 H2 A 332 31.555 -12.299 34.398 615 1H5* A 333 1H5* A 333 32.111 -8.739 27.812 616 2H5* A 333 2H5* A 333 31.225 -7.495 26.930 617 H4* A 333 H4* A 333 30.232 -9.883 27.151 618 H3* A 333 H3* A 333 28.741 -7.289 27.402 619 H2* A 333 H2* A 333 26.701 -8.475 27.711 620 2HO* A 333 2HO* A 333 27.283 -10.115 26.201 621 H1* A 333 H1* A 333 27.711 -10.122 29.697 622 H8 A 333 H8 A 333 29.339 -6.776 29.985 623 1H6 A 333 1H6 A 333 24.418 -5.017 33.398 624 2H6 A 333 2H6 A 333 26.019 -4.546 32.870 625 H2 A 333 H2 A 333 23.527 -8.989 31.619 626 1H5* G 334 1H5* G 334 26.044 -10.141 24.456 627 2H5* G 334 2H5* G 334 24.836 -8.889 24.165 628 H4* G 334 H4* G 334 24.495 -11.112 25.728 629 H3* G 334 H3* G 334 23.016 -8.515 25.515 630 H2* G 334 H2* G 334 21.633 -9.106 27.359 631 2HO* G 334 2HO* G 334 21.406 -11.253 27.682 632 H1* G 334 H1* G 334 23.731 -9.757 29.026 633 H8 G 334 H8 G 334 25.386 -7.102 27.290 634 H1 G 334 H1 G 334 20.538 -4.770 30.889 635 1H2 G 334 1H2 G 334 19.304 -6.316 31.467 636 2H2 G 334 2H2 G 334 19.545 -7.996 31.039 637 1H5* U 335 1H5* U 335 20.312 -11.346 26.013 638 2H5* U 335 2H5* U 335 18.876 -11.337 24.990 639 H4* U 335 H4* U 335 18.259 -11.251 27.330 640 H3* U 335 H3* U 335 17.614 -8.881 25.618 641 H2* U 335 H2* U 335 16.602 -7.760 27.448 642 2HO* U 335 2HO* U 335 16.091 -9.003 29.284 643 H1* U 335 H1* U 335 18.721 -8.207 29.190 644 H3 U 335 H3 U 335 18.474 -3.807 27.653 645 H5 U 335 H5 U 335 21.302 -5.791 25.288 646 H6 U 335 H6 U 335 20.525 -7.888 26.293 647 1H5* U 336 1H5* U 336 13.581 -10.172 26.677 648 2H5* U 336 2H5* U 336 12.493 -9.856 25.324 649 H4* U 336 H4* U 336 11.924 -8.452 27.207 650 H3* U 336 H3* U 336 12.960 -7.112 24.740 651 H2* U 336 H2* U 336 12.738 -4.971 25.736 652 2HO* U 336 2HO* U 336 11.305 -6.616 27.566 653 H1* U 336 H1* U 336 13.973 -5.788 28.140 654 H3 U 336 H3 U 336 16.801 -2.770 26.190 655 H5 U 336 H5 U 336 17.567 -6.388 24.225 656 H6 U 336 H6 U 336 15.620 -7.318 25.390 657 1H5* C 337 1H5* C 337 9.438 -4.839 25.591 658 2H5* C 337 2H5* C 337 8.729 -4.332 24.058 659 H4* C 337 H4* C 337 9.493 -2.456 25.486 660 H3* C 337 H3* C 337 10.613 -2.813 22.719 661 H2* C 337 H2* C 337 11.894 -0.860 22.949 662 2HO* C 337 2HO* C 337 11.141 0.697 24.376 663 H1* C 337 H1* C 337 12.434 -1.470 25.742 664 1H4 C 337 1H4 C 337 18.010 -1.933 22.608 665 2H4 C 337 2H4 C 337 17.636 -3.614 22.304 666 H5 C 337 H5 C 337 15.565 -4.618 22.834 667 H6 C 337 H6 C 337 13.319 -4.251 23.796 668 1H5* G 338 1H5* G 338 8.708 0.730 21.824 669 2H5* G 338 2H5* G 338 7.974 0.655 20.223 670 H4* G 338 H4* G 338 9.849 2.116 20.107 671 H3* G 338 H3* G 338 10.249 -0.532 18.746 672 H2* G 338 H2* G 338 12.393 0.122 18.031 673 2HO* G 338 2HO* G 338 11.457 2.681 18.961 674 H1* G 338 H1* G 338 12.882 1.442 20.576 675 H8 G 338 H8 G 338 11.964 -2.107 21.007 676 H1 G 338 H1 G 338 18.204 -1.310 19.493 677 1H2 G 338 1H2 G 338 18.523 0.635 18.886 678 2H2 G 338 2H2 G 338 17.283 1.867 18.800 679 1H5* G 339 1H5* G 339 12.308 1.373 16.308 680 2H5* G 339 2H5* G 339 11.831 0.965 14.660 681 H4* G 339 H4* G 339 14.150 0.262 15.374 682 H3* G 339 H3* G 339 12.166 -1.530 14.056 683 H2* G 339 H2* G 339 13.210 -3.391 14.844 684 2HO* G 339 2HO* G 339 14.732 -3.439 13.288 685 H1* G 339 H1* G 339 15.276 -1.529 16.123 686 H8 G 339 H8 G 339 16.536 -2.825 17.856 687 H1 G 339 H1 G 339 11.797 -7.172 18.571 688 1H2 G 339 1H2 G 339 10.204 -6.659 17.366 689 2H2 G 339 2H2 G 339 10.159 -5.260 16.318 690 1H5* A 340 1H5* A 340 14.131 1.961 12.083 691 2H5* A 340 2H5* A 340 15.457 2.976 12.650 692 H4* A 340 H4* A 340 12.841 3.604 12.891 693 H3* A 340 H3* A 340 15.235 4.460 14.488 694 H2* A 340 H2* A 340 13.832 5.761 15.907 695 2HO* A 340 2HO* A 340 11.880 6.349 15.074 696 H1* A 340 H1* A 340 12.013 3.616 16.242 697 H8 A 340 H8 A 340 15.208 1.977 16.595 698 1H6 A 340 1H6 A 340 15.713 4.346 22.346 699 2H6 A 340 2H6 A 340 16.374 3.168 21.235 700 H2 A 340 H2 A 340 12.406 6.456 20.258 701 1H5* A 341 1H5* A 341 12.546 7.803 13.897 702 2H5* A 341 2H5* A 341 13.503 9.273 13.716 703 H4* A 341 H4* A 341 11.863 9.371 15.565 704 H3* A 341 H3* A 341 14.797 9.699 16.161 705 H2* A 341 H2* A 341 14.259 10.234 18.408 706 2HO* A 341 2HO* A 341 11.513 10.014 17.585 707 H1* A 341 H1* A 341 12.467 8.091 18.684 708 H8 A 341 H8 A 341 15.392 6.948 16.705 709 1H6 A 341 1H6 A 341 18.308 5.903 22.123 710 2H6 A 341 2H6 A 341 18.396 5.650 20.395 711 H2 A 341 H2 A 341 14.571 8.153 22.968 712 1H5* C 342 1H5* C 342 13.243 12.900 17.419 713 2H5* C 342 2H5* C 342 13.680 14.526 16.895 714 H4* C 342 H4* C 342 13.950 14.467 19.242 715 H3* C 342 H3* C 342 16.510 14.486 17.702 716 H2* C 342 H2* C 342 17.795 14.429 19.705 717 2HO* C 342 2HO* C 342 15.286 14.382 21.099 718 H1* C 342 H1* C 342 16.438 12.256 20.762 719 1H4 C 342 1H4 C 342 21.364 9.919 17.366 720 2H4 C 342 2H4 C 342 20.220 9.559 16.092 721 H5 C 342 H5 C 342 17.960 10.244 16.120 722 H6 C 342 H6 C 342 16.223 11.454 17.392 723 1H5* A 343 1H5* A 343 17.265 17.040 20.591 724 2H5* A 343 2H5* A 343 17.850 18.619 20.067 725 H4* A 343 H4* A 343 19.454 17.694 21.564 726 H3* A 343 H3* A 343 20.317 17.755 18.687 727 H2* A 343 H2* A 343 22.466 16.942 19.310 728 2HO* A 343 2HO* A 343 21.355 17.216 21.954 729 H1* A 343 H1* A 343 21.439 14.841 20.822 730 H8 A 343 H8 A 343 19.269 15.423 17.836 731 1H6 A 343 1H6 A 343 23.137 11.672 14.688 732 2H6 A 343 2H6 A 343 21.609 12.518 14.610 733 H2 A 343 H2 A 343 24.952 12.529 18.652 734 1H5* C 344 1H5* C 344 23.311 20.572 20.540 735 2H5* C 344 2H5* C 344 23.728 21.709 19.258 736 H4* C 344 H4* C 344 25.659 20.401 19.997 737 H3* C 344 H3* C 344 24.725 20.133 17.158 738 H2* C 344 H2* C 344 26.560 18.695 16.673 739 2HO* C 344 2HO* C 344 28.018 18.361 18.648 740 H1* C 344 H1* C 344 26.072 17.096 18.941 741 1H4 C 344 1H4 C 344 23.214 13.954 14.179 742 2H4 C 344 2H4 C 344 21.864 15.064 14.263 743 H5 C 344 H5 C 344 21.805 16.962 15.667 744 H6 C 344 H6 C 344 23.041 18.275 17.355 745 1H5* C 345 1H5* C 345 29.127 21.493 16.579 746 2H5* C 345 2H5* C 345 29.155 21.773 14.838 747 H4* C 345 H4* C 345 30.410 19.733 15.934 748 H3* C 345 H3* C 345 28.965 19.816 13.297 749 H2* C 345 H2* C 345 29.589 17.572 12.883 750 2HO* C 345 2HO* C 345 31.302 18.275 15.035 751 H1* C 345 H1* C 345 28.939 16.774 15.541 752 1H4 C 345 1H4 C 345 24.174 14.871 11.670 753 2H4 C 345 2H4 C 345 23.298 16.298 12.178 754 H5 C 345 H5 C 345 24.230 18.009 13.512 755 H6 C 345 H6 C 345 26.254 18.781 14.698 756 1H5* C 346 1H5* C 346 31.905 17.861 12.405 757 2H5* C 346 2H5* C 346 32.962 18.450 11.122 758 H4* C 346 H4* C 346 32.360 16.322 10.412 759 H3* C 346 H3* C 346 30.529 18.321 9.070 760 H2* C 346 H2* C 346 29.665 16.567 7.772 761 2HO* C 346 2HO* C 346 31.981 15.207 8.811 762 H1* C 346 H1* C 346 29.878 14.725 10.016 763 1H4 C 346 1H4 C 346 23.623 15.498 8.853 764 2H4 C 346 2H4 C 346 23.649 16.892 9.910 765 H5 C 346 H5 C 346 25.619 17.798 10.844 766 H6 C 346 H6 C 346 28.075 17.589 10.994 767 1H5* G 347 1H5* G 347 33.645 16.978 6.043 768 2H5* G 347 2H5* G 347 33.749 18.076 4.668 769 H4* G 347 H4* G 347 33.105 15.794 4.021 770 H3* G 347 H3* G 347 31.221 18.068 3.474 771 H2* G 347 H2* G 347 29.752 16.584 2.330 772 2HO* G 347 2HO* G 347 31.891 14.726 2.855 773 H1* G 347 H1* G 347 29.830 14.690 4.414 774 H8 G 347 H8 G 347 29.601 17.806 6.232 775 H1 G 347 H1 G 347 24.013 16.407 3.283 776 1H2 G 347 1H2 G 347 24.321 14.910 1.898 777 2H2 G 347 2H2 G 347 25.863 14.147 1.583 778 1H5* G 348 1H5* G 348 31.960 17.272 -0.850 779 2H5* G 348 2H5* G 348 31.385 18.779 -1.561 780 H4* G 348 H4* G 348 29.949 16.585 -1.670 781 H3* G 348 H3* G 348 28.921 19.384 -1.194 782 H2* G 348 H2* G 348 26.712 18.538 -1.327 783 2HO* G 348 2HO* G 348 28.176 16.244 -2.243 784 H1* G 348 H1* G 348 27.365 16.273 0.281 785 H8 G 348 H8 G 348 28.790 19.018 2.129 786 H1 G 348 H1 G 348 22.328 19.117 2.466 787 1H2 G 348 1H2 G 348 21.545 17.859 1.033 788 2H2 G 348 2H2 G 348 22.497 16.917 -0.093 789 1H5* C 349 1H5* C 349 25.734 18.431 -3.151 790 2H5* C 349 2H5* C 349 25.737 19.504 -4.550 791 H4* C 349 H4* C 349 23.752 19.977 -3.394 792 H3* C 349 H3* C 349 25.861 22.064 -2.907 793 H2* C 349 H2* C 349 24.384 23.291 -1.560 794 2HO* C 349 2HO* C 349 22.576 23.181 -2.854 795 H1* C 349 H1* C 349 23.263 20.840 -0.458 796 1H4 C 349 1H4 C 349 26.266 23.743 4.390 797 2H4 C 349 2H4 C 349 27.767 23.033 3.839 798 H5 C 349 H5 C 349 27.984 21.806 1.834 799 H6 C 349 H6 C 349 26.801 20.947 -0.157 800 1H5* C 350 1H5* C 350 23.125 24.346 -5.846 801 2H5* C 350 2H5* C 350 24.113 25.675 -6.450 802 H4* C 350 H4* C 350 22.229 26.303 -4.899 803 H3* C 350 H3* C 350 25.067 27.177 -4.470 804 H2* C 350 H2* C 350 24.428 28.426 -2.558 805 2HO* C 350 2HO* C 350 22.398 29.190 -2.680 806 H1* C 350 H1* C 350 22.823 26.272 -1.579 807 1H4 C 350 1H4 C 350 28.141 26.189 1.968 808 2H4 C 350 2H4 C 350 28.941 25.281 0.705 809 H5 C 350 H5 C 350 27.969 24.811 -1.395 810 H6 C 350 H6 C 350 25.970 25.100 -2.815 811 1H5* G 351 1H5* G 351 23.325 31.130 -4.878 812 2H5* G 351 2H5* G 351 24.120 31.862 -6.271 813 H4* G 351 H4* G 351 24.457 33.390 -4.546 814 H3* G 351 H3* G 351 26.893 31.712 -5.017 815 H2* G 351 H2* G 351 28.070 32.848 -3.296 816 2HO* G 351 2HO* G 351 25.677 34.451 -3.301 817 H1* G 351 H1* G 351 26.021 32.589 -1.429 818 H8 G 351 H8 G 351 26.490 29.665 -3.802 819 H1 G 351 H1 G 351 29.874 29.254 1.698 820 1H2 G 351 1H2 G 351 29.694 31.018 2.752 821 2H2 G 351 2H2 G 351 28.765 32.402 2.223 822 1H5* C 352 1H5* C 352 28.267 35.726 -5.277 823 2H5* C 352 2H5* C 352 29.623 35.914 -6.387 824 H4* C 352 H4* C 352 30.192 36.433 -4.042 825 H3* C 352 H3* C 352 31.649 34.248 -5.497 826 H2* C 352 H2* C 352 33.060 33.907 -3.624 827 2HO* C 352 2HO* C 352 32.854 36.352 -3.369 828 H1* C 352 H1* C 352 30.879 33.971 -1.806 829 1H4 C 352 1H4 C 352 32.157 27.762 -2.546 830 2H4 C 352 2H4 C 352 31.314 27.779 -4.078 831 H5 C 352 H5 C 352 30.446 29.732 -5.082 832 H6 C 352 H6 C 352 30.170 32.175 -4.859 833 1H5* A 353 1H5* A 353 34.518 37.951 -5.892 834 2H5* A 353 2H5* A 353 35.230 37.854 -7.503 835 H4* A 353 H4* A 353 36.933 37.659 -5.786 836 H3* A 353 H3* A 353 36.446 35.300 -7.567 837 H2* A 353 H2* A 353 38.184 34.081 -6.503 838 2HO* A 353 2HO* A 353 39.599 35.259 -5.124 839 H1* A 353 H1* A 353 37.270 34.670 -3.922 840 H8 A 353 H8 A 353 34.956 33.865 -6.873 841 1H6 A 353 1H6 A 353 34.460 28.204 -4.294 842 2H6 A 353 2H6 A 353 33.902 29.218 -5.606 843 H2 A 353 H2 A 353 37.333 30.584 -1.880 844 1H5* A 354 1H5* A 354 40.711 35.949 -7.553 845 2H5* A 354 2H5* A 354 41.400 35.371 -9.070 846 H4* A 354 H4* A 354 42.229 34.147 -7.099 847 H3* A 354 H3* A 354 40.727 32.638 -9.230 848 H2* A 354 H2* A 354 41.240 30.605 -8.120 849 2HO* A 354 2HO* A 354 42.972 30.622 -6.714 850 H1* A 354 H1* A 354 40.524 31.624 -5.589 851 H8 A 354 H8 A 354 38.020 32.806 -8.032 852 1H6 A 354 1H6 A 354 35.148 27.301 -7.402 853 2H6 A 354 2H6 A 354 34.993 28.913 -8.061 854 H2 A 354 H2 A 354 39.114 27.036 -5.416 855 1H5* C 355 1H5* C 355 44.660 30.601 -9.732 856 2H5* C 355 2H5* C 355 44.816 30.480 -11.484 857 H4* C 355 H4* C 355 44.865 28.285 -10.440 858 H3* C 355 H3* C 355 42.488 28.886 -12.201 859 H2* C 355 H2* C 355 41.835 26.615 -12.016 860 2HO* C 355 2HO* C 355 44.483 26.489 -11.668 861 H1* C 355 H1* C 355 42.329 26.569 -9.218 862 1H4 C 355 1H4 C 355 35.995 27.189 -9.810 863 2H4 C 355 2H4 C 355 36.205 28.915 -10.003 864 H5 C 355 H5 C 355 38.308 29.976 -10.164 865 H6 C 355 H6 C 355 40.755 29.636 -10.180 866 1H5* C 356 1H5* C 356 45.133 26.092 -13.981 867 2H5* C 356 2H5* C 356 45.046 25.671 -15.692 868 H4* C 356 H4* C 356 44.280 23.817 -14.370 869 H3* C 356 H3* C 356 42.172 25.222 -15.991 870 H2* C 356 H2* C 356 40.579 23.594 -15.330 871 2HO* C 356 2HO* C 356 41.453 21.639 -14.961 872 H1* C 356 H1* C 356 41.433 23.721 -12.612 873 1H4 C 356 1H4 C 356 36.048 27.134 -12.695 874 2H4 C 356 2H4 C 356 36.888 28.445 -13.490 875 H5 C 356 H5 C 356 39.134 28.322 -14.211 876 H6 C 356 H6 C 356 41.146 26.897 -14.348 877 1H5* C 357 1H5* C 357 42.582 21.413 -16.667 878 2H5* C 357 2H5* C 357 43.299 20.681 -18.102 879 H4* C 357 H4* C 357 41.654 19.172 -17.760 880 H3* C 357 H3* C 357 40.454 21.313 -19.463 881 H2* C 357 H2* C 357 38.307 20.322 -19.350 882 2HO* C 357 2HO* C 357 38.804 18.205 -17.738 883 H1* C 357 H1* C 357 38.263 20.023 -16.621 884 1H4 C 357 1H4 C 357 36.050 25.941 -17.632 885 2H4 C 357 2H4 C 357 37.685 26.543 -17.484 886 H5 C 357 H5 C 357 39.585 25.156 -17.278 887 H6 C 357 H6 C 357 40.392 22.825 -17.162 888 1H5* U 358 1H5* U 358 37.981 18.321 -20.513 889 2H5* U 358 2H5* U 358 38.396 17.978 -22.192 890 H4* U 358 H4* U 358 36.104 18.315 -22.260 891 H3* U 358 H3* U 358 37.498 20.871 -23.038 892 H2* U 358 H2* U 358 35.388 21.827 -23.550 893 2HO* U 358 2HO* U 358 34.428 19.170 -22.977 894 H1* U 358 H1* U 358 34.218 20.859 -21.158 895 H3 U 358 H3 U 358 34.150 25.291 -20.337 896 H5 U 358 H5 U 358 38.235 24.366 -20.281 897 H6 U 358 H6 U 358 37.630 22.101 -21.000 898 1H5* G 359 1H5* G 359 34.886 19.332 -25.772 899 2H5* G 359 2H5* G 359 35.151 19.418 -27.513 900 H4* G 359 H4* G 359 33.009 20.323 -27.109 901 H3* G 359 H3* G 359 35.082 22.397 -27.743 902 H2* G 359 H2* G 359 33.456 24.114 -27.616 903 2HO* G 359 2HO* G 359 31.678 21.863 -27.343 904 H1* G 359 H1* G 359 32.353 23.062 -25.213 905 H8 G 359 H8 G 359 36.055 23.080 -25.022 906 H1 G 359 H1 G 359 33.430 28.861 -23.763 907 1H2 G 359 1H2 G 359 31.431 28.834 -24.268 908 2H2 G 359 2H2 G 359 30.591 27.451 -24.933 909 1H5* G 360 1H5* G 360 32.047 22.029 -30.489 910 2H5* G 360 2H5* G 360 32.142 22.111 -32.248 911 H4* G 360 H4* G 360 30.705 23.840 -31.763 912 H3* G 360 H3* G 360 33.487 24.978 -31.958 913 H2* G 360 H2* G 360 32.580 27.160 -31.686 914 2HO* G 360 2HO* G 360 30.716 26.505 -32.985 915 H1* G 360 H1* G 360 30.992 26.370 -29.492 916 H8 G 360 H8 G 360 34.392 24.834 -29.340 917 H1 G 360 H1 G 360 34.170 30.860 -26.990 918 1H2 G 360 1H2 G 360 32.347 31.710 -27.444 919 2H2 G 360 2H2 G 360 31.069 30.909 -28.330 920 1H5* G 361 1H5* G 361 31.129 26.259 -35.194 921 2H5* G 361 2H5* G 361 31.787 26.625 -36.789 922 H4* G 361 H4* G 361 31.062 28.681 -35.948 923 H3* G 361 H3* G 361 34.044 28.395 -35.632 924 H2* G 361 H2* G 361 34.147 30.646 -34.873 925 2HO* G 361 2HO* G 361 32.568 31.397 -36.347 926 H1* G 361 H1* G 361 31.993 30.289 -33.089 927 H8 G 361 H8 G 361 34.275 27.331 -33.089 928 H1 G 361 H1 G 361 36.281 32.146 -29.259 929 1H2 G 361 1H2 G 361 35.139 33.826 -29.610 930 2H2 G 361 2H2 G 361 33.831 33.917 -30.769 931 1H5* A 362 1H5* A 362 32.792 31.145 -38.670 932 2H5* A 362 2H5* A 362 33.732 31.490 -40.121 933 H4* A 362 H4* A 362 33.419 33.546 -38.996 934 H3* A 362 H3* A 362 36.202 32.450 -38.756 935 H2* A 362 H2* A 362 36.883 34.362 -37.531 936 2HO* A 362 2HO* A 362 35.445 35.641 -38.958 937 H1* A 362 H1* A 362 34.750 34.286 -35.762 938 H8 A 362 H8 A 362 35.537 30.756 -36.519 939 1H6 A 362 1H6 A 362 40.079 31.104 -32.251 940 2H6 A 362 2H6 A 362 39.165 30.007 -33.263 941 H2 A 362 H2 A 362 38.582 35.214 -33.025 942 1H5* G 363 1H5* G 363 36.973 36.833 -39.344 943 2H5* G 363 2H5* G 363 38.576 36.733 -40.069 944 H4* G 363 H4* G 363 38.105 37.609 -37.569 945 H3* G 363 H3* G 363 40.537 36.335 -38.781 946 H2* G 363 H2* G 363 41.646 36.389 -36.689 947 2HO* G 363 2HO* G 363 39.557 37.515 -35.255 948 H1* G 363 H1* G 363 39.538 35.316 -35.250 949 H8 G 363 H8 G 363 39.309 33.608 -38.488 950 H1 G 363 H1 G 363 44.168 31.340 -34.865 951 1H2 G 363 1H2 G 363 44.495 32.614 -33.277 952 2H2 G 363 2H2 G 363 43.588 34.078 -32.971 953 1H5* A 364 1H5* A 364 44.203 39.594 -37.948 954 2H5* A 364 2H5* A 364 43.892 39.690 -39.681 955 H4* A 364 H4* A 364 44.829 37.052 -39.036 956 H3* A 364 H3* A 364 46.132 39.074 -37.427 957 H2* A 364 H2* A 364 47.733 39.549 -39.022 958 2HO* A 364 2HO* A 364 49.389 38.014 -38.624 959 H1* A 364 H1* A 364 47.076 36.813 -40.248 960 H8 A 364 H8 A 364 46.380 39.190 -42.715 961 1H6 A 364 1H6 A 364 52.333 39.214 -44.590 962 2H6 A 364 2H6 A 364 50.705 39.677 -45.034 963 H2 A 364 H2 A 364 52.142 37.280 -40.594 964 1H5* G 365 1H5* G 365 48.722 37.403 -34.748 965 2H5* G 365 2H5* G 365 49.178 36.165 -35.918 966 H4* G 365 H4* G 365 49.204 34.467 -34.205 967 H3* G 365 H3* G 365 47.343 35.641 -32.761 968 H2* G 365 H2* G 365 48.501 37.684 -32.307 969 2HO* G 365 2HO* G 365 49.387 36.524 -29.998 970 H1* G 365 H1* G 365 50.907 36.011 -31.448 971 H8 G 365 H8 G 365 52.792 37.545 -33.466 972 H1 G 365 H1 G 365 50.300 42.417 -30.011 973 1H2 G 365 1H2 G 365 48.580 41.783 -29.068 974 2H2 G 365 2H2 G 365 47.912 40.171 -29.193 975 1H5* G 366 1H5* G 366 49.761 32.909 -30.245 976 2H5* G 366 2H5* G 366 49.296 31.208 -30.233 977 H4* G 366 H4* G 366 48.349 31.408 -28.033 978 H3* G 366 H3* G 366 47.997 34.148 -28.542 979 H2* G 366 H2* G 366 50.137 34.794 -27.841 980 2HO* G 366 2HO* G 366 48.577 34.220 -25.489 981 H1* G 366 H1* G 366 49.999 32.444 -25.872 982 H8 G 366 H8 G 366 52.810 32.659 -28.258 983 H1 G 366 H1 G 366 54.274 35.094 -22.443 984 1H2 G 366 1H2 G 366 52.552 35.293 -21.327 985 2H2 G 366 2H2 G 366 50.950 34.864 -21.883 986 1H5* U 367 1H5* U 367 46.622 36.356 -27.327 987 2H5* U 367 2H5* U 367 45.420 35.627 -26.263 988 H4* U 367 H4* U 367 44.897 37.765 -27.738 989 H3* U 367 H3* U 367 43.077 35.523 -26.928 990 H2* U 367 H2* U 367 41.279 36.503 -28.128 991 2HO* U 367 2HO* U 367 42.052 38.634 -27.454 992 H1* U 367 H1* U 367 42.728 36.887 -30.457 993 H3 U 367 H3 U 367 40.396 33.277 -31.759 994 H5 U 367 H5 U 367 42.883 31.746 -28.757 995 H6 U 367 H6 U 367 43.645 34.042 -28.354 996 1H5* C 368 1H5* C 368 41.078 39.010 -25.750 997 2H5* C 368 2H5* C 368 40.151 38.856 -24.257 998 H4* C 368 H4* C 368 38.757 39.359 -26.231 999 H3* C 368 H3* C 368 38.277 36.805 -24.706 1000 H2* C 368 H2* C 368 36.350 36.407 -26.034 1001 2HO* C 368 2HO* C 368 35.970 38.297 -27.640 1002 H1* C 368 H1* C 368 37.684 37.001 -28.442 1003 1H4 C 368 1H4 C 368 37.901 30.633 -27.988 1004 2H4 C 368 2H4 C 368 39.299 30.770 -26.944 1005 H5 C 368 H5 C 368 40.153 32.826 -26.154 1006 H6 C 368 H6 C 368 39.874 35.279 -26.172 1007 1H5* C 369 1H5* C 369 35.148 38.917 -24.751 1008 2H5* C 369 2H5* C 369 34.152 39.519 -23.426 1009 H4* C 369 H4* C 369 32.544 38.382 -24.523 1010 H3* C 369 H3* C 369 33.861 36.292 -22.805 1011 H2* C 369 H2* C 369 32.336 34.670 -23.630 1012 2HO* C 369 2HO* C 369 30.635 36.310 -23.592 1013 H1* C 369 H1* C 369 32.688 35.477 -26.309 1014 1H4 C 369 1H4 C 369 36.725 30.579 -25.942 1015 2H4 C 369 2H4 C 369 37.648 31.391 -24.698 1016 H5 C 369 H5 C 369 37.069 33.492 -23.789 1017 H6 C 369 H6 C 369 35.443 35.349 -23.850 1018 1H5* C 370 1H5* C 370 29.885 36.915 -21.843 1019 2H5* C 370 2H5* C 370 29.116 36.536 -20.302 1020 H4* C 370 H4* C 370 28.306 34.987 -21.909 1021 H3* C 370 H3* C 370 30.292 33.764 -19.995 1022 H2* C 370 H2* C 370 29.793 31.632 -20.912 1023 2HO* C 370 2HO* C 370 27.860 33.006 -22.536 1024 H1* C 370 H1* C 370 29.929 32.623 -23.574 1025 1H4 C 370 1H4 C 370 35.569 29.769 -22.781 1026 2H4 C 370 2H4 C 370 36.076 31.044 -21.696 1027 H5 C 370 H5 C 370 34.674 32.814 -21.001 1028 H6 C 370 H6 C 370 32.419 33.805 -21.179 1029 1H5* A 371 1H5* A 371 26.034 32.232 -18.672 1030 2H5* A 371 2H5* A 371 26.231 31.616 -17.031 1031 H4* A 371 H4* A 371 25.367 29.951 -18.666 1032 H3* A 371 H3* A 371 27.869 29.434 -17.089 1033 H2* A 371 H2* A 371 28.024 27.250 -18.026 1034 2HO* A 371 2HO* A 371 25.513 28.024 -19.208 1035 H1* A 371 H1* A 371 27.725 28.145 -20.644 1036 H8 A 371 H8 A 371 29.688 30.772 -18.982 1037 1H6 A 371 1H6 A 371 34.750 27.207 -19.769 1038 2H6 A 371 2H6 A 371 34.197 28.805 -19.320 1039 H2 A 371 H2 A 371 31.164 24.755 -20.702 1040 1H5* G 372 1H5* G 372 25.393 25.970 -16.711 1041 2H5* G 372 2H5* G 372 25.108 25.699 -14.991 1042 H4* G 372 H4* G 372 25.708 23.607 -15.849 1043 H3* G 372 H3* G 372 27.956 24.919 -14.368 1044 H2* G 372 H2* G 372 29.381 23.067 -14.780 1045 2HO* G 372 2HO* G 372 27.128 21.889 -16.118 1046 H1* G 372 H1* G 372 28.730 22.972 -17.519 1047 H8 G 372 H8 G 372 29.088 26.518 -16.506 1048 H1 G 372 H1 G 372 34.773 23.602 -17.541 1049 1H2 G 372 1H2 G 372 34.481 21.569 -17.717 1050 2H2 G 372 2H2 G 372 32.929 20.772 -17.601 1051 1H5* G 373 1H5* G 373 27.402 21.315 -13.276 1052 2H5* G 373 2H5* G 373 27.067 20.675 -11.667 1053 H4* G 373 H4* G 373 28.839 19.377 -12.398 1054 H3* G 373 H3* G 373 29.815 21.572 -10.612 1055 H2* G 373 H2* G 373 32.062 20.834 -10.848 1056 2HO* G 373 2HO* G 373 31.283 18.602 -10.865 1057 H1* G 373 H1* G 373 31.922 20.686 -13.634 1058 H8 G 373 H8 G 373 29.951 23.656 -12.751 1059 H1 G 373 H1 G 373 36.319 24.726 -12.331 1060 1H2 G 373 1H2 G 373 37.327 22.930 -12.424 1061 2H2 G 373 2H2 G 373 36.561 21.366 -12.592 1062 1H5* G 374 1H5* G 374 30.785 17.740 -9.101 1063 2H5* G 374 2H5* G 374 31.059 17.472 -7.380 1064 H4* G 374 H4* G 374 33.098 17.072 -8.581 1065 H3* G 374 H3* G 374 33.078 19.526 -6.842 1066 H2* G 374 H2* G 374 35.377 19.883 -7.327 1067 2HO* G 374 2HO* G 374 36.487 18.067 -7.791 1068 H1* G 374 H1* G 374 35.020 19.525 -10.091 1069 H8 G 374 H8 G 374 32.099 21.435 -8.933 1070 H1 G 374 H1 G 374 37.407 25.105 -9.424 1071 1H2 G 374 1H2 G 374 39.060 23.898 -9.665 1072 2H2 G 374 2H2 G 374 39.015 22.149 -9.726 1073 1H5* U 375 1H5* U 375 36.398 17.810 -5.809 1074 2H5* U 375 2H5* U 375 36.606 17.492 -4.087 1075 H4* U 375 H4* U 375 38.466 18.768 -4.666 1076 H3* U 375 H3* U 375 36.372 20.498 -3.372 1077 H2* U 375 H2* U 375 37.838 22.350 -3.475 1078 2HO* U 375 2HO* U 375 39.615 20.908 -2.886 1079 H1* U 375 H1* U 375 38.654 21.680 -6.141 1080 H3 U 375 H3 U 375 36.826 25.790 -6.688 1081 H5 U 375 H5 U 375 33.530 23.316 -5.945 1082 H6 U 375 H6 U 375 35.118 21.510 -5.464 1083 1H5* U 376 1H5* U 376 39.918 20.914 -0.723 1084 2H5* U 376 2H5* U 376 39.333 21.381 0.873 1085 H4* U 376 H4* U 376 40.795 23.059 -0.291 1086 H3* U 376 H3* U 376 38.047 23.798 0.706 1087 H2* U 376 H2* U 376 38.491 26.058 0.161 1088 2HO* U 376 2HO* U 376 40.701 25.745 0.962 1089 H1* U 376 H1* U 376 39.665 25.340 -2.341 1090 H3 U 376 H3 U 376 35.966 27.987 -3.101 1091 H5 U 376 H5 U 376 34.518 24.074 -2.737 1092 H6 U 376 H6 U 376 36.757 23.423 -1.978 1093 2H ALA 1 HN ALA 1 78.768 24.294 28.892 1094 HA ALA 1 HA ALA 1 79.012 23.735 31.158 1095 1HB ALA 1 1HB ALA 1 76.877 22.016 30.523 1096 2HB ALA 1 2HB ALA 1 78.204 20.938 31.020 1097 3HB ALA 1 3HB ALA 1 77.645 22.224 32.115 1098 H THR 2 HN THR 2 79.217 20.875 28.914 1099 HA THR 2 HA THR 2 82.079 21.166 28.781 1100 HB THR 2 HB THR 2 80.712 18.949 30.372 1101 HG1 THR 2 HG1 THR 2 81.668 20.245 31.887 1102 1HG2 THR 2 1HG2 THR 2 82.832 17.760 30.432 1103 2HG2 THR 2 2HG2 THR 2 82.446 18.009 28.712 1104 3HG2 THR 2 3HG2 THR 2 83.645 19.050 29.514 1105 H VAL 3 HN VAL 3 83.062 19.602 27.260 1106 HA VAL 3 HA VAL 3 81.243 18.078 25.647 1107 HB VAL 3 HB VAL 3 80.935 20.409 24.842 1108 1HG1 VAL 3 1HG1 VAL 3 82.724 21.742 24.719 1109 2HG1 VAL 3 2HG1 VAL 3 83.841 20.365 24.876 1110 3HG1 VAL 3 3HG1 VAL 3 83.217 20.828 23.274 1111 1HG2 VAL 3 1HG2 VAL 3 80.575 18.453 23.375 1112 2HG2 VAL 3 2HG2 VAL 3 81.142 19.877 22.471 1113 3HG2 VAL 3 3HG2 VAL 3 82.272 18.552 22.845 1114 H VAL 4 HN VAL 4 82.360 16.551 24.332 1115 HA VAL 4 HA VAL 4 85.232 16.441 24.939 1116 HB VAL 4 HB VAL 4 83.982 14.651 25.956 1117 1HG1 VAL 4 1HG1 VAL 4 81.981 14.559 24.664 1118 2HG1 VAL 4 2HG1 VAL 4 82.877 14.186 23.173 1119 3HG1 VAL 4 3HG1 VAL 4 82.780 12.979 24.478 1120 1HG2 VAL 4 1HG2 VAL 4 86.123 13.936 25.299 1121 2HG2 VAL 4 2HG2 VAL 4 85.030 12.670 24.689 1122 3HG2 VAL 4 3HG2 VAL 4 85.682 13.896 23.575 1123 H SER 5 HN SER 5 82.684 16.332 22.449 1124 HA SER 5 HA SER 5 84.545 17.094 20.496 1125 1HB SER 5 2HB SER 5 85.019 14.605 20.658 1126 2HB SER 5 3HB SER 5 83.369 14.301 20.151 1127 HG SER 5 HG SER 5 85.112 14.327 18.434 1128 H GLY 6 HN GLY 6 81.454 15.187 20.822 1129 1HA GLY 6 1HA GLY 6 79.497 16.842 20.508 1130 2HA GLY 6 2HA GLY 6 80.189 17.029 18.909 1131 H GLN 7 HN GLN 7 78.317 16.127 17.868 1132 HA GLN 7 HA GLN 7 78.493 13.399 17.440 1133 1HB GLN 7 2HB GLN 7 76.763 14.180 19.680 1134 2HB GLN 7 3HB GLN 7 75.859 13.334 18.440 1135 1HG GLN 7 2HG GLN 7 76.844 11.341 18.937 1136 2HG GLN 7 3HG GLN 7 78.450 12.040 18.917 1137 1HE2 GLN 7 1HE2 GLN 7 78.412 10.311 20.705 1138 2HE2 GLN 7 2HE2 GLN 7 78.137 10.877 22.318 1139 H LYS 8 HN LYS 8 76.504 12.626 16.052 1140 HA LYS 8 HA LYS 8 75.298 14.936 14.714 1141 1HB LYS 8 2HB LYS 8 77.027 12.800 13.513 1142 2HB LYS 8 3HB LYS 8 75.699 13.442 12.568 1143 1HG LYS 8 2HG LYS 8 76.888 15.314 12.103 1144 2HG LYS 8 3HG LYS 8 77.045 15.671 13.812 1145 1HD LYS 8 2HD LYS 8 78.868 13.573 13.438 1146 2HD LYS 8 3HD LYS 8 79.017 14.491 11.953 1147 1HE LYS 8 2HE LYS 8 79.597 16.512 13.129 1148 2HE LYS 8 3HE LYS 8 79.059 15.869 14.667 1149 1HZ LYS 8 1HZ LYS 8 80.843 14.265 14.556 1150 2HZ LYS 8 2HZ LYS 8 81.344 14.859 13.120 1151 3HZ LYS 8 3HZ LYS 8 81.437 15.783 14.463 1152 H GLN 9 HN GLN 9 73.503 14.044 13.119 1153 HA GLN 9 HA GLN 9 72.375 11.584 13.601 1154 1HB GLN 9 2HB GLN 9 70.469 12.122 15.060 1155 2HB GLN 9 3HB GLN 9 71.977 12.411 15.903 1156 1HG GLN 9 2HG GLN 9 71.819 14.847 15.366 1157 2HG GLN 9 3HG GLN 9 70.320 14.564 14.503 1158 1HE2 GLN 9 1HE2 GLN 9 71.913 14.223 17.642 1159 2HE2 GLN 9 2HE2 GLN 9 70.505 14.395 18.636 1160 H ASP 10 HN ASP 10 70.293 11.334 12.449 1161 HA ASP 10 HA ASP 10 69.022 13.516 11.296 1162 1HB ASP 10 2HB ASP 10 71.395 12.595 9.905 1163 2HB ASP 10 3HB ASP 10 69.993 12.203 8.928 1164 H ARG 11 HN ARG 11 67.200 12.732 9.881 1165 HA ARG 11 HA ARG 11 66.921 10.135 9.084 1166 1HB ARG 11 2HB ARG 11 66.850 9.990 11.764 1167 2HB ARG 11 3HB ARG 11 65.189 10.504 11.541 1168 1HG ARG 11 2HG ARG 11 65.664 8.447 9.605 1169 2HG ARG 11 3HG ARG 11 66.353 7.876 11.111 1170 1HD ARG 11 2HD ARG 11 64.297 7.759 12.178 1171 2HD ARG 11 3HD ARG 11 63.658 9.161 11.342 1172 HE ARG 11 HE ARG 11 64.091 6.843 9.591 1173 1HH1 ARG 11 2HH2 ARG 11 61.825 8.477 11.729 1174 2HH1 ARG 11 1HH2 ARG 11 60.427 7.740 11.021 1175 1HH2 ARG 11 2HH1 ARG 11 62.247 5.870 8.656 1176 2HH2 ARG 11 1HH1 ARG 11 60.669 6.247 9.261 1177 H GLN 12 HN GLN 12 64.487 9.645 8.544 1178 HA GLN 12 HA GLN 12 62.835 11.989 8.586 1179 1HB GLN 12 2HB GLN 12 64.325 11.143 6.188 1180 2HB GLN 12 3HB GLN 12 62.599 11.226 5.900 1181 1HG GLN 12 2HG GLN 12 62.525 13.548 6.743 1182 2HG GLN 12 3HG GLN 12 64.220 13.476 7.180 1183 1HE2 GLN 12 1HE2 GLN 12 62.352 14.901 5.121 1184 2HE2 GLN 12 2HE2 GLN 12 63.272 14.895 3.653 1185 H GLY 13 HN GLY 13 60.582 11.469 7.705 1186 1HA GLY 13 1HA GLY 13 59.745 8.907 7.040 1187 2HA GLY 13 2HA GLY 13 59.694 9.007 8.789 1188 H GLY 14 HN GLY 14 57.272 8.638 8.005 1189 1HA GLY 14 1HA GLY 14 56.014 11.299 8.024 1190 2HA GLY 14 2HA GLY 14 55.536 10.121 6.819 1191 H GLU 15 HN GLU 15 53.375 10.537 8.003 1192 HA GLU 15 HA GLU 15 52.617 8.317 9.321 1193 1HB GLU 15 2HB GLU 15 54.150 9.909 11.105 1194 2HB GLU 15 3HB GLU 15 52.485 10.140 11.596 1195 1HG GLU 15 2HG GLU 15 52.300 7.518 11.383 1196 2HG GLU 15 3HG GLU 15 54.051 7.545 11.424 1197 H ARG 16 HN ARG 16 50.378 8.643 10.463 1198 HA ARG 16 HA ARG 16 48.349 9.375 10.368 1199 1HB ARG 16 2HB ARG 16 49.727 11.579 11.148 1200 2HB ARG 16 3HB ARG 16 49.105 12.202 9.633 1201 1HG ARG 16 2HG ARG 16 47.163 12.658 10.715 1202 2HG ARG 16 3HG ARG 16 46.874 10.931 10.787 1203 1HD ARG 16 2HD ARG 16 48.753 11.880 12.877 1204 2HD ARG 16 3HD ARG 16 47.165 12.612 12.996 1205 HE ARG 16 HE ARG 16 46.222 10.498 13.488 1206 1HH1 ARG 16 2HH2 ARG 16 49.592 10.154 12.535 1207 2HH1 ARG 16 1HH2 ARG 16 49.703 8.505 13.052 1208 1HH2 ARG 16 2HH1 ARG 16 46.368 8.321 14.170 1209 2HH2 ARG 16 1HH1 ARG 16 47.857 7.455 13.989 1210 H ARG 17 HN ARG 17 46.805 11.039 8.830 1211 HA ARG 17 HA ARG 17 47.192 9.896 6.254 1212 1HB ARG 17 2HB ARG 17 44.952 10.400 7.639 1213 2HB ARG 17 3HB ARG 17 45.059 11.963 6.853 1214 1HG ARG 17 2HG ARG 17 44.013 10.998 5.079 1215 2HG ARG 17 3HG ARG 17 45.538 10.201 4.740 1216 1HD ARG 17 2HD ARG 17 44.726 8.394 6.477 1217 2HD ARG 17 3HD ARG 17 43.139 9.101 6.248 1218 HE ARG 17 HE ARG 17 44.439 8.530 3.706 1219 1HH1 ARG 17 2HH2 ARG 17 42.600 7.081 6.333 1220 2HH1 ARG 17 1HH2 ARG 17 41.978 5.793 5.358 1221 1HH2 ARG 17 2HH1 ARG 17 43.618 6.830 2.419 1222 2HH2 ARG 17 1HH1 ARG 17 42.561 5.649 3.116 1223 H ARG 18 HN ARG 18 46.584 13.284 7.470 1224 HA ARG 18 HA ARG 18 47.932 14.231 5.089 1225 1HB ARG 18 2HB ARG 18 46.173 15.640 7.155 1226 2HB ARG 18 3HB ARG 18 46.980 16.493 5.855 1227 1HG ARG 18 2HG ARG 18 45.654 15.498 4.182 1228 2HG ARG 18 3HG ARG 18 45.293 14.086 5.155 1229 1HD ARG 18 2HD ARG 18 43.838 15.465 6.642 1230 2HD ARG 18 3HD ARG 18 44.222 16.896 5.707 1231 HE ARG 18 HE ARG 18 42.820 16.138 3.961 1232 1HH1 ARG 18 2HH2 ARG 18 43.236 13.620 6.383 1233 2HH1 ARG 18 1HH2 ARG 18 41.973 12.620 5.747 1234 1HH2 ARG 18 2HH1 ARG 18 41.153 14.819 3.121 1235 2HH2 ARG 18 1HH1 ARG 18 40.780 13.307 3.878 1236 H SER 19 HN SER 19 49.586 13.031 7.076 1237 HA SER 19 HA SER 19 51.307 13.358 8.366 1238 1HB SER 19 2HB SER 19 51.730 14.869 6.162 1239 2HB SER 19 3HB SER 19 51.777 16.150 7.357 1240 HG SER 19 HG SER 19 53.893 15.296 7.042 1241 H GLN 20 HN GLN 20 48.740 14.111 9.498 1242 HA GLN 20 HA GLN 20 47.883 15.084 11.238 1243 1HB GLN 20 2HB GLN 20 50.298 14.364 12.113 1244 2HB GLN 20 3HB GLN 20 50.554 16.094 12.219 1245 1HG GLN 20 2HG GLN 20 47.970 15.625 13.335 1246 2HG GLN 20 3HG GLN 20 49.000 14.360 13.977 1247 1HE2 GLN 20 1HE2 GLN 20 48.800 15.309 16.029 1248 2HE2 GLN 20 2HE2 GLN 20 49.722 16.698 16.500 1249 H LEU 21 HN LEU 21 47.923 16.598 8.846 1250 HA LEU 21 HA LEU 21 48.927 19.075 8.798 1251 1HB LEU 21 2HB LEU 21 46.991 17.701 7.448 1252 2HB LEU 21 3HB LEU 21 46.052 18.987 8.179 1253 HG LEU 21 HG LEU 21 48.283 19.177 6.172 1254 1HD1 LEU 21 1HD1 LEU 21 45.971 20.944 5.915 1255 2HD1 LEU 21 2HD1 LEU 21 46.688 19.807 4.749 1256 3HD1 LEU 21 3HD1 LEU 21 45.528 19.221 5.965 1257 1HD2 LEU 21 1HD2 LEU 21 47.957 21.756 6.588 1258 2HD2 LEU 21 2HD2 LEU 21 47.534 21.215 8.231 1259 3HD2 LEU 21 3HD2 LEU 21 49.124 20.810 7.543 1260 H ASP 22 HN ASP 22 49.315 20.192 10.690 1261 HA ASP 22 HA ASP 22 47.355 20.365 12.695 1262 1HB ASP 22 2HB ASP 22 50.092 20.924 12.443 1263 2HB ASP 22 3HB ASP 22 49.387 22.517 12.646 1264 H ARG 23 HN ARG 23 46.193 22.375 13.347 1265 HA ARG 23 HA ARG 23 45.185 23.741 11.126 1266 1HB ARG 23 2HB ARG 23 44.907 24.306 14.121 1267 2HB ARG 23 3HB ARG 23 43.946 25.091 12.884 1268 1HG ARG 23 2HG ARG 23 44.055 22.064 13.282 1269 2HG ARG 23 3HG ARG 23 42.821 23.093 13.981 1270 1HD ARG 23 2HD ARG 23 43.257 23.436 11.039 1271 2HD ARG 23 3HD ARG 23 42.591 21.889 11.523 1272 HE ARG 23 HE ARG 23 41.127 23.852 12.937 1273 1HH1 ARG 23 2HH2 ARG 23 41.685 22.944 9.583 1274 2HH1 ARG 23 1HH2 ARG 23 40.146 23.523 9.037 1275 1HH2 ARG 23 2HH1 ARG 23 39.097 24.615 12.217 1276 2HH2 ARG 23 1HH1 ARG 23 38.665 24.480 10.545 1277 H ASP 24 HN ASP 24 48.157 24.031 12.546 1278 HA ASP 24 HA ASP 24 48.268 26.854 11.861 1279 1HB ASP 24 2HB ASP 24 48.370 26.092 14.453 1280 2HB ASP 24 3HB ASP 24 50.049 25.788 14.049 1281 H GLN 25 HN GLN 25 48.944 24.142 10.564 1282 HA GLN 25 HA GLN 25 51.796 24.653 10.216 1283 1HB GLN 25 2HB GLN 25 50.387 22.191 10.907 1284 2HB GLN 25 3HB GLN 25 51.268 21.985 9.406 1285 1HG GLN 25 2HG GLN 25 53.078 21.594 10.742 1286 2HG GLN 25 3HG GLN 25 53.140 23.336 10.920 1287 1HE2 GLN 25 1HE2 GLN 25 51.733 24.273 12.643 1288 2HE2 GLN 25 2HE2 GLN 25 51.632 23.445 14.161 1289 H CYS 26 HN CYS 26 52.601 24.680 8.070 1290 HA CYS 26 HA CYS 26 50.659 25.306 6.109 1291 1HB CYS 26 2HB CYS 26 52.875 26.403 6.216 1292 2HB CYS 26 3HB CYS 26 53.652 24.886 5.811 1293 H ALA 27 HN ALA 27 49.789 23.970 4.515 1294 HA ALA 27 HA ALA 27 50.541 21.157 4.685 1295 1HB ALA 27 1HB ALA 27 48.104 22.681 4.242 1296 2HB ALA 27 2HB ALA 27 48.364 21.514 2.924 1297 3HB ALA 27 3HB ALA 27 48.302 20.951 4.611 1298 H TYR 28 HN TYR 28 52.267 23.264 3.409 1299 HA TYR 28 HA TYR 28 52.276 22.096 0.709 1300 1HB TYR 28 2HB TYR 28 51.486 24.561 0.987 1301 2HB TYR 28 3HB TYR 28 53.069 24.923 1.645 1302 HD1 TYR 28 HD1 TYR 28 51.108 24.686 -1.327 1303 HD2 TYR 28 HD2 TYR 28 55.123 24.416 0.126 1304 HE1 TYR 28 HE1 TYR 28 51.994 25.107 -3.673 1305 HE2 TYR 28 HE2 TYR 28 55.995 24.837 -2.224 1306 HH TYR 28 HH TYR 28 55.270 24.608 -4.478 1307 H CYS 29 HN CYS 29 54.254 23.966 3.123 1308 HA CYS 29 HA CYS 29 56.575 22.495 2.135 1309 1HB CYS 29 2HB CYS 29 57.925 24.244 3.237 1310 2HB CYS 29 3HB CYS 29 56.839 24.903 2.030 1311 H LYS 30 HN LYS 30 54.295 22.897 4.761 1312 HA LYS 30 HA LYS 30 53.997 21.575 6.543 1313 1HB LYS 30 2HB LYS 30 56.773 20.428 6.150 1314 2HB LYS 30 3HB LYS 30 55.476 19.771 7.129 1315 1HG LYS 30 2HG LYS 30 55.068 20.235 4.154 1316 2HG LYS 30 3HG LYS 30 55.878 18.789 4.721 1317 1HD LYS 30 2HD LYS 30 53.956 17.909 5.687 1318 2HD LYS 30 3HD LYS 30 53.302 19.484 6.093 1319 1HE LYS 30 2HE LYS 30 52.188 19.675 4.098 1320 2HE LYS 30 3HE LYS 30 53.539 19.054 3.171 1321 1HZ LYS 30 1HZ LYS 30 51.710 17.399 4.770 1322 2HZ LYS 30 2HZ LYS 30 51.645 17.571 3.147 1323 3HZ LYS 30 3HZ LYS 30 52.933 16.844 3.841 1324 H GLU 31 HN GLU 31 55.292 24.299 6.256 1325 HA GLU 31 HA GLU 31 57.017 24.350 8.556 1326 1HB GLU 31 2HB GLU 31 56.109 26.463 6.565 1327 2HB GLU 31 3HB GLU 31 57.058 26.869 7.981 1328 1HG GLU 31 2HG GLU 31 58.911 25.488 7.257 1329 2HG GLU 31 3HG GLU 31 57.944 24.714 6.017 1330 H LYS 32 HN LYS 32 56.277 24.681 10.608 1331 HA LYS 32 HA LYS 32 53.504 25.292 10.984 1332 1HB LYS 32 2HB LYS 32 53.924 24.825 13.301 1333 2HB LYS 32 3HB LYS 32 54.722 23.603 12.331 1334 1HG LYS 32 2HG LYS 32 56.774 25.365 12.502 1335 2HG LYS 32 3HG LYS 32 55.930 25.821 13.967 1336 1HD LYS 32 2HD LYS 32 56.055 22.911 13.761 1337 2HD LYS 32 3HD LYS 32 57.662 23.588 13.591 1338 1HE LYS 32 2HE LYS 32 55.948 24.728 15.782 1339 2HE LYS 32 3HE LYS 32 56.526 23.090 16.009 1340 1HZ LYS 32 1HZ LYS 32 58.699 23.786 15.958 1341 2HZ LYS 32 2HZ LYS 32 58.378 25.184 15.177 1342 3HZ LYS 32 3HZ LYS 32 57.980 25.021 16.751 1343 H GLY 33 HN GLY 33 52.664 27.300 11.035 1344 1HA GLY 33 1HA GLY 33 53.154 29.374 12.553 1345 2HA GLY 33 2HA GLY 33 54.492 29.555 11.435 1346 H HIS 34 HN HIS 34 53.641 29.052 8.955 1347 HA HIS 34 HA HIS 34 51.429 30.932 8.642 1348 1HB HIS 34 2HB HIS 34 52.324 31.467 6.498 1349 2HB HIS 34 3HB HIS 34 53.631 31.533 7.662 1350 HD1 HIS 34 HD1 HIS 34 55.584 29.869 7.388 1351 HD2 HIS 34 HD2 HIS 34 52.468 29.284 4.642 1352 HE1 HIS 34 HE1 HIS 34 56.471 28.238 5.638 1353 H TRP 35 HN TRP 35 50.050 30.496 6.585 1354 HA TRP 35 HA TRP 35 49.355 27.651 6.654 1355 1HB TRP 35 2HB TRP 35 47.829 30.179 6.328 1356 2HB TRP 35 3HB TRP 35 47.276 28.798 5.403 1357 HD1 TRP 35 HD1 TRP 35 48.490 29.009 9.126 1358 HE1 TRP 35 HE1 TRP 35 46.729 27.873 10.729 1359 HE3 TRP 35 HE3 TRP 35 45.148 27.830 5.479 1360 HZ2 TRP 35 HZ2 TRP 35 44.193 26.636 10.301 1361 HZ3 TRP 35 HZ3 TRP 35 43.055 26.659 6.158 1362 HH2 TRP 35 HH2 TRP 35 42.552 26.063 8.474 1363 H ALA 36 HN ALA 36 48.697 26.676 4.521 1364 HA ALA 36 HA ALA 36 50.688 27.031 2.614 1365 1HB ALA 36 1HB ALA 36 49.265 25.527 1.244 1366 2HB ALA 36 2HB ALA 36 49.416 24.954 2.922 1367 3HB ALA 36 3HB ALA 36 47.926 25.769 2.391 1368 H LYS 37 HN LYS 37 47.488 28.539 3.056 1369 HA LYS 37 HA LYS 37 47.286 29.599 0.458 1370 1HB LYS 37 2HB LYS 37 45.877 29.823 3.031 1371 2HB LYS 37 3HB LYS 37 45.836 31.293 2.080 1372 1HG LYS 37 2HG LYS 37 44.049 30.255 1.069 1373 2HG LYS 37 3HG LYS 37 45.305 29.513 0.096 1374 1HD LYS 37 2HD LYS 37 44.978 28.017 2.579 1375 2HD LYS 37 3HD LYS 37 43.421 28.203 1.795 1376 1HE LYS 37 2HE LYS 37 45.484 27.550 -0.179 1377 2HE LYS 37 3HE LYS 37 45.476 26.363 1.110 1378 1HZ LYS 37 1HZ LYS 37 43.848 25.560 -0.204 1379 2HZ LYS 37 2HZ LYS 37 42.918 26.538 0.715 1380 3HZ LYS 37 3HZ LYS 37 43.381 27.016 -0.776 1381 H ASP 38 HN ASP 38 49.529 30.186 2.934 1382 HA ASP 38 HA ASP 38 50.167 32.723 1.668 1383 1HB ASP 38 2HB ASP 38 49.221 32.456 4.306 1384 2HB ASP 38 3HB ASP 38 50.959 32.557 4.508 1385 H CYS 39 HN CYS 39 51.145 29.938 1.273 1386 HA CYS 39 HA CYS 39 53.552 29.608 2.723 1387 1HB CYS 39 2HB CYS 39 52.249 27.729 1.727 1388 2HB CYS 39 3HB CYS 39 52.692 28.288 0.126 1389 HA PRO 40 HA PRO 40 55.925 32.309 0.232 1390 1HB PRO 40 2HB PRO 40 58.408 31.725 1.216 1391 2HB PRO 40 3HB PRO 40 57.305 32.840 1.998 1392 1HG PRO 40 2HG PRO 40 58.006 30.075 2.774 1393 2HG PRO 40 3HG PRO 40 57.261 31.332 3.743 1394 1HD PRO 40 2HD PRO 40 55.947 29.079 2.551 1395 2HD PRO 40 3HD PRO 40 55.186 30.396 3.420 1396 H LYS 41 HN LYS 41 55.613 29.135 -0.204 1397 HA LYS 41 HA LYS 41 57.671 29.093 -2.292 1398 1HB LYS 41 2HB LYS 41 56.422 26.985 -0.569 1399 2HB LYS 41 3HB LYS 41 56.968 26.538 -2.172 1400 1HG LYS 41 2HG LYS 41 59.221 27.004 -1.694 1401 2HG LYS 41 3HG LYS 41 58.830 28.176 -0.451 1402 1HD LYS 41 2HD LYS 41 59.194 26.549 1.087 1403 2HD LYS 41 3HD LYS 41 57.726 25.773 0.525 1404 1HE LYS 41 2HE LYS 41 58.881 24.246 -0.840 1405 2HE LYS 41 3HE LYS 41 60.260 25.306 -1.049 1406 1HZ LYS 41 1HZ LYS 41 60.438 23.323 0.522 1407 2HZ LYS 41 2HZ LYS 41 61.077 24.747 1.002 1408 3HZ LYS 41 3HZ LYS 41 59.639 24.254 1.599 1409 H LYS 42 HN LYS 42 54.266 29.327 -1.625 1410 HA LYS 42 HA LYS 42 53.475 28.288 -4.190 1411 1HB LYS 42 2HB LYS 42 51.235 28.764 -3.469 1412 2HB LYS 42 3HB LYS 42 52.097 28.000 -2.148 1413 1HG LYS 42 2HG LYS 42 51.792 29.804 -0.804 1414 2HG LYS 42 3HG LYS 42 52.460 30.888 -2.007 1415 1HD LYS 42 2HD LYS 42 50.170 31.579 -1.592 1416 2HD LYS 42 3HD LYS 42 50.226 30.877 -3.198 1417 1HE LYS 42 2HE LYS 42 49.718 28.715 -1.383 1418 2HE LYS 42 3HE LYS 42 48.663 30.028 -0.900 1419 1HZ LYS 42 1HZ LYS 42 47.575 28.799 -2.559 1420 2HZ LYS 42 2HZ LYS 42 48.028 30.197 -3.272 1421 3HZ LYS 42 3HZ LYS 42 48.860 28.823 -3.568 1422 HA PRO 43 HA PRO 43 54.117 32.105 -6.168 1423 1HB PRO 43 2HB PRO 43 53.254 31.386 -8.659 1424 2HB PRO 43 3HB PRO 43 54.877 31.071 -8.079 1425 1HG PRO 43 2HG PRO 43 52.626 29.182 -8.406 1426 2HG PRO 43 3HG PRO 43 54.336 28.835 -8.245 1427 1HD PRO 43 2HD PRO 43 52.329 28.554 -6.215 1428 2HD PRO 43 3HD PRO 43 54.055 28.318 -6.022 1429 H ARG 44 HN ARG 44 52.446 32.916 -4.614 1430 HA ARG 44 HA ARG 44 49.811 32.876 -5.336 1431 1HB ARG 44 2HB ARG 44 51.499 34.258 -3.416 1432 2HB ARG 44 3HB ARG 44 50.364 35.412 -4.087 1433 1HG ARG 44 2HG ARG 44 49.042 32.857 -3.492 1434 2HG ARG 44 3HG ARG 44 49.839 33.499 -2.070 1435 1HD ARG 44 2HD ARG 44 48.124 35.320 -3.792 1436 2HD ARG 44 3HD ARG 44 47.368 34.256 -2.621 1437 HE ARG 44 HE ARG 44 49.295 35.441 -1.088 1438 1HH1 ARG 44 2HH2 ARG 44 46.939 36.794 -3.325 1439 2HH1 ARG 44 1HH2 ARG 44 46.816 38.303 -2.482 1440 1HH2 ARG 44 2HH1 ARG 44 49.133 37.430 0.023 1441 2HH2 ARG 44 1HH1 ARG 44 48.074 38.667 -0.565 1442 H GLY 45 HN GLY 45 49.615 33.254 -7.640 1443 1HA GLY 45 1HA GLY 45 49.388 34.473 -9.515 1444 2HA GLY 45 2HA GLY 45 48.997 35.811 -8.453 1445 HA PRO 46 HA PRO 46 49.030 36.626 -10.442 1446 1HB PRO 46 2HB PRO 46 49.681 37.430 -12.973 1447 2HB PRO 46 3HB PRO 46 49.493 38.543 -11.632 1448 1HG PRO 46 2HG PRO 46 51.980 37.596 -12.920 1449 2HG PRO 46 3HG PRO 46 51.740 38.995 -11.894 1450 1HD PRO 46 2HD PRO 46 52.943 36.502 -11.143 1451 2HD PRO 46 3HD PRO 46 52.598 37.859 -10.088 1452 H ARG 47 HN ARG 47 47.596 35.203 -11.272 1453 HA ARG 47 HA ARG 47 48.876 33.173 -12.921 1454 1HB ARG 47 2HB ARG 47 47.947 32.702 -10.375 1455 2HB ARG 47 3HB ARG 47 46.491 32.368 -11.291 1456 1HG ARG 47 2HG ARG 47 47.576 30.266 -11.236 1457 2HG ARG 47 3HG ARG 47 48.008 30.887 -12.817 1458 1HD ARG 47 2HD ARG 47 50.173 31.768 -11.826 1459 2HD ARG 47 3HD ARG 47 49.744 31.014 -10.304 1460 HE ARG 47 HE ARG 47 49.525 28.897 -12.016 1461 1HH1 ARG 47 2HH2 ARG 47 52.054 31.310 -11.606 1462 2HH1 ARG 47 1HH2 ARG 47 53.325 30.250 -12.120 1463 1HH2 ARG 47 2HH1 ARG 47 51.201 27.499 -12.692 1464 2HH2 ARG 47 1HH1 ARG 47 52.836 28.068 -12.742 1465 H GLY 48 HN GLY 48 48.083 33.638 -14.970 1466 1HA GLY 48 1HA GLY 48 45.266 34.439 -15.223 1467 2HA GLY 48 2HA GLY 48 46.532 34.649 -16.416 1468 HA PRO 49 HA PRO 49 44.189 30.825 -17.388 1469 1HB PRO 49 2HB PRO 49 42.997 31.617 -19.716 1470 2HB PRO 49 3HB PRO 49 42.191 31.668 -18.161 1471 1HG PRO 49 2HG PRO 49 43.309 33.902 -19.743 1472 2HG PRO 49 3HG PRO 49 42.150 33.958 -18.429 1473 1HD PRO 49 2HD PRO 49 44.936 34.626 -18.289 1474 2HD PRO 49 3HD PRO 49 43.803 34.571 -16.953 1475 H ARG 50 HN ARG 50 45.232 29.156 -18.286 1476 HA ARG 50 HA ARG 50 46.382 29.495 -20.811 1477 1HB ARG 50 2HB ARG 50 48.027 30.377 -18.674 1478 2HB ARG 50 3HB ARG 50 48.645 28.786 -19.070 1479 1HG ARG 50 2HG ARG 50 48.080 30.836 -21.247 1480 2HG ARG 50 3HG ARG 50 49.600 30.842 -20.373 1481 1HD ARG 50 2HD ARG 50 50.208 28.664 -21.174 1482 2HD ARG 50 3HD ARG 50 48.567 28.285 -21.660 1483 HE ARG 50 HE ARG 50 49.281 30.562 -23.151 1484 1HH1 ARG 50 2HH2 ARG 50 50.449 27.261 -22.799 1485 2HH1 ARG 50 1HH2 ARG 50 51.066 27.171 -24.415 1486 1HH2 ARG 50 2HH1 ARG 50 50.095 30.443 -25.284 1487 2HH2 ARG 50 1HH1 ARG 50 50.863 28.994 -25.838 1488 HA PRO 51 HA PRO 51 45.526 25.239 -19.716 1489 1HB PRO 51 2HB PRO 51 44.559 24.473 -22.155 1490 2HB PRO 51 3HB PRO 51 43.544 25.119 -20.882 1491 1HG PRO 51 2HG PRO 51 44.479 26.441 -23.355 1492 2HG PRO 51 3HG PRO 51 43.153 26.893 -22.302 1493 1HD PRO 51 2HD PRO 51 45.736 28.132 -22.437 1494 2HD PRO 51 3HD PRO 51 44.451 28.508 -21.306 1495 H GLN 52 HN GLN 52 46.564 23.247 -20.009 1496 HA GLN 52 HA GLN 52 48.133 22.714 -22.172 1497 1HB GLN 52 2HB GLN 52 49.386 24.633 -20.367 1498 2HB GLN 52 3HB GLN 52 50.331 23.159 -20.429 1499 1HG GLN 52 2HG GLN 52 49.860 23.410 -23.079 1500 2HG GLN 52 3HG GLN 52 49.686 25.098 -22.642 1501 1HE2 GLN 52 1HE2 GLN 52 51.412 26.146 -21.495 1502 2HE2 GLN 52 2HE2 GLN 52 53.056 25.652 -21.726 1503 H THR 53 HN THR 53 46.870 20.791 -21.450 1504 HA THR 53 HA THR 53 48.511 18.973 -20.053 1505 HB THR 53 HB THR 53 47.799 20.143 -18.034 1506 HG1 THR 53 HG1 THR 53 45.979 17.907 -18.569 1507 1HG2 THR 53 1HG2 THR 53 45.210 20.291 -19.499 1508 2HG2 THR 53 2HG2 THR 53 45.053 19.774 -17.803 1509 3HG2 THR 53 3HG2 THR 53 45.828 21.329 -18.191 1510 H SER 54 HN SER 54 48.227 17.192 -21.224 1511 HA SER 54 HA SER 54 45.680 16.070 -21.474 1512 1HB SER 54 2HB SER 54 46.257 17.985 -23.469 1513 2HB SER 54 3HB SER 54 46.560 16.442 -24.245 1514 HG SER 54 HG SER 54 44.227 17.514 -24.057 1515 H LEU 55 HN LEU 55 47.138 14.466 -20.421 1516 HA LEU 55 HA LEU 55 48.027 12.536 -22.225 1517 1HB LEU 55 2HB LEU 55 49.828 14.375 -22.420 1518 2HB LEU 55 3HB LEU 55 50.349 13.842 -20.834 1519 HG LEU 55 HG LEU 55 50.082 11.523 -22.486 1520 1HD1 LEU 55 1HD1 LEU 55 51.874 13.606 -23.753 1521 2HD1 LEU 55 2HD1 LEU 55 51.544 11.951 -24.320 1522 3HD1 LEU 55 3HD1 LEU 55 50.257 13.180 -24.362 1523 1HD2 LEU 55 1HD2 LEU 55 51.576 11.370 -20.732 1524 2HD2 LEU 55 2HD2 LEU 55 52.664 11.585 -22.123 1525 3HD2 LEU 55 3HD2 LEU 55 52.297 12.963 -21.059 1526 H LEU 56 HN LEU 56 46.325 11.856 -20.547 1527 HA LEU 56 HA LEU 56 45.834 10.542 -18.841 1528 1HB LEU 56 2HB LEU 56 48.504 9.872 -19.477 1529 2HB LEU 56 3HB LEU 56 48.413 9.938 -17.728 1530 HG LEU 56 HG LEU 56 46.134 8.500 -18.791 1531 1HD1 LEU 56 1HD1 LEU 56 48.767 7.910 -20.010 1532 2HD1 LEU 56 2HD1 LEU 56 47.857 6.511 -19.395 1533 3HD1 LEU 56 3HD1 LEU 56 47.119 7.589 -20.603 1534 1HD2 LEU 56 1HD2 LEU 56 46.418 7.369 -16.897 1535 2HD2 LEU 56 2HD2 LEU 56 48.092 6.933 -17.316 1536 3HD2 LEU 56 3HD2 LEU 56 47.748 8.493 -16.530 Start of MODEL 8 1 1H5* G 276 1H5* G 276 69.717 2.359 -5.430 2 2H5* G 276 2H5* G 276 70.892 2.611 -4.140 3 H4* G 276 H4* G 276 71.104 4.491 -5.504 4 H3* G 276 H3* G 276 69.459 5.099 -3.067 5 H2* G 276 H2* G 276 69.289 7.374 -3.735 6 2HO* G 276 2HO* G 276 70.779 6.829 -6.087 7 H1* G 276 H1* G 276 68.515 6.758 -6.340 8 H8 G 276 H8 G 276 66.903 4.211 -4.228 9 H1 G 276 H1 G 276 63.888 9.930 -3.941 10 1H2 G 276 1H2 G 276 65.075 11.379 -4.807 11 2H2 G 276 2H2 G 276 66.651 11.087 -5.506 12 1H5* G 277 1H5* G 277 71.975 8.361 -3.350 13 2H5* G 277 2H5* G 277 72.763 8.615 -1.793 14 H4* G 277 H4* G 277 71.664 10.640 -2.493 15 H3* G 277 H3* G 277 70.409 9.258 -0.122 16 H2* G 277 H2* G 277 68.999 11.142 0.172 17 2HO* G 277 2HO* G 277 70.827 12.533 -0.396 18 H1* G 277 H1* G 277 68.423 11.294 -2.607 19 H8 G 277 H8 G 277 68.219 7.765 -1.534 20 H1 G 277 H1 G 277 62.935 11.160 0.027 21 1H2 G 277 1H2 G 277 63.303 13.171 -0.246 22 2H2 G 277 2H2 G 277 64.817 13.838 -0.813 23 1H5* C 278 1H5* C 278 71.938 12.988 1.188 24 2H5* C 278 2H5* C 278 72.213 13.162 2.921 25 H4* C 278 H4* C 278 70.379 14.577 2.079 26 H3* C 278 H3* C 278 69.746 12.476 4.149 27 H2* C 278 H2* C 278 67.566 13.385 4.341 28 2HO* C 278 2HO* C 278 67.516 15.531 4.007 29 H1* C 278 H1* C 278 67.265 13.600 1.526 30 1H4 C 278 1H4 C 278 64.077 8.322 3.243 31 2H4 C 278 2H4 C 278 65.562 7.413 3.076 32 H5 C 278 H5 C 278 67.665 8.396 2.640 33 H6 C 278 H6 C 278 68.872 10.516 2.253 34 1H5* G 279 1H5* G 279 68.990 16.302 5.754 35 2H5* G 279 2H5* G 279 69.346 16.522 7.467 36 H4* G 279 H4* G 279 67.062 17.069 7.144 37 H3* G 279 H3* G 279 67.431 14.386 8.476 38 H2* G 279 H2* G 279 65.088 14.313 8.855 39 2HO* G 279 2HO* G 279 64.902 16.520 9.381 40 H1* G 279 H1* G 279 64.532 15.178 6.200 41 H8 G 279 H8 G 279 67.134 12.560 6.103 42 H1 G 279 H1 G 279 61.178 10.136 6.824 43 1H2 G 279 1H2 G 279 59.862 11.662 7.264 44 2H2 G 279 2H2 G 279 60.307 13.346 7.417 45 1H5* G 280 1H5* G 280 65.511 16.593 12.517 46 2H5* G 280 2H5* G 280 66.329 15.353 13.466 47 H4* G 280 H4* G 280 63.755 15.549 13.580 48 H3* G 280 H3* G 280 65.313 12.989 13.338 49 H2* G 280 H2* G 280 63.296 11.747 13.483 50 2HO* G 280 2HO* G 280 61.449 12.837 14.243 51 H1* G 280 H1* G 280 61.965 13.297 11.582 52 H8 G 280 H8 G 280 65.412 13.067 10.342 53 H1 G 280 H1 G 280 62.094 7.592 9.395 54 1H2 G 280 1H2 G 280 60.341 7.652 10.480 55 2H2 G 280 2H2 G 280 59.845 8.987 11.496 56 1H5* U 281 1H5* U 281 62.870 12.252 15.875 57 2H5* U 281 2H5* U 281 63.270 11.985 17.572 58 H4* U 281 H4* U 281 61.944 10.169 17.137 59 H3* U 281 H3* U 281 64.781 9.296 16.576 60 H2* U 281 H2* U 281 63.979 7.098 16.235 61 2HO* U 281 2HO* U 281 62.517 7.446 18.081 62 H1* U 281 H1* U 281 61.732 8.019 14.736 63 H3 U 281 H3 U 281 64.135 5.441 11.840 64 H5 U 281 H5 U 281 66.224 9.068 12.010 65 H6 U 281 H6 U 281 64.733 9.726 13.844 66 2HO* AP7 282 2HO* A 282 64.503 1.632 18.686 67 H2* AP7 282 H2* A 282 65.863 2.917 17.561 68 H3* AP7 282 H3* A 282 66.234 4.805 18.940 69 H4* AP7 282 H4* A 282 63.331 4.708 19.760 70 H1* AP7 282 H1* A 282 63.414 3.970 16.564 71 H8 AP7 282 H8 A 282 66.316 6.372 16.732 72 H2 AP7 282 H2 A 282 64.385 1.992 12.438 73 H1 AP7 282 H1 A 282 65.967 3.030 11.205 74 1H6 AP7 282 1H6 A 282 67.610 4.623 10.882 75 2H6 AP7 282 2H6 A 282 68.030 5.754 12.150 76 2H5* AP7 282 2H5* A 282 64.856 6.258 20.938 77 1H5* AP7 282 1H5* A 282 63.519 7.065 20.116 78 1H5* C 283 1H5* C 283 65.632 0.970 20.763 79 2H5* C 283 2H5* C 283 67.112 0.147 21.258 80 H4* C 283 H4* C 283 66.037 -0.936 19.341 81 H3* C 283 H3* C 283 68.792 0.211 19.003 82 H2* C 283 H2* C 283 68.889 -0.634 16.788 83 2HO* C 283 2HO* C 283 67.771 -2.481 16.575 84 H1* C 283 H1* C 283 66.308 0.312 16.148 85 1H4 C 283 1H4 C 283 70.440 4.641 13.859 86 2H4 C 283 2H4 C 283 70.318 5.496 15.380 87 H5 C 283 H5 C 283 69.147 4.675 17.261 88 H6 C 283 H6 C 283 67.792 2.813 18.152 89 1H5* U 284 1H5* U 284 69.018 -3.565 17.693 90 2H5* U 284 2H5* U 284 70.164 -4.610 18.533 91 H4* U 284 H4* U 284 70.646 -4.929 16.279 92 H3* U 284 H3* U 284 72.593 -2.992 17.505 93 H2* U 284 H2* U 284 73.789 -2.903 15.456 94 2HO* U 284 2HO* U 284 73.372 -5.214 15.169 95 H1* U 284 H1* U 284 71.498 -2.510 13.907 96 H3 U 284 H3 U 284 73.528 1.544 13.790 97 H5 U 284 H5 U 284 71.805 1.388 17.603 98 H6 U 284 H6 U 284 71.236 -0.953 17.143 99 1H5* A 285 1H5* A 285 75.374 -6.194 15.555 100 2H5* A 285 2H5* A 285 76.748 -6.045 16.650 101 H4* A 285 H4* A 285 77.132 -5.554 14.174 102 H3* A 285 H3* A 285 78.033 -3.745 16.405 103 H2* A 285 H2* A 285 79.136 -2.365 14.818 104 2HO* A 285 2HO* A 285 79.933 -3.934 13.453 105 H1* A 285 H1* A 285 76.932 -2.289 13.084 106 H8 A 285 H8 A 285 75.625 -2.103 16.538 107 1H6 A 285 1H6 A 285 76.825 4.020 16.406 108 2H6 A 285 2H6 A 285 76.027 2.752 17.307 109 H2 A 285 H2 A 285 78.724 2.154 12.848 110 1H5* G 286 1H5* G 286 81.724 -4.505 14.129 111 2H5* G 286 2H5* G 286 82.980 -4.727 15.348 112 H4* G 286 H4* G 286 83.599 -2.959 13.825 113 H3* G 286 H3* G 286 82.962 -2.087 16.643 114 H2* G 286 H2* G 286 83.742 0.087 16.098 115 2HO* G 286 2HO* G 286 84.743 0.256 13.897 116 H1* G 286 H1* G 286 82.331 0.106 13.634 117 H8 G 286 H8 G 286 80.105 -1.241 16.251 118 H1 G 286 H1 G 286 80.540 5.214 16.428 119 1H2 G 286 1H2 G 286 82.090 5.834 15.217 120 2H2 G 286 2H2 G 286 83.119 4.763 14.291 121 1H5* U 287 1H5* U 287 86.601 -1.041 15.441 122 2H5* U 287 2H5* U 287 87.998 -0.945 16.512 123 H4* U 287 H4* U 287 87.673 1.210 15.582 124 H3* U 287 H3* U 287 86.796 1.035 18.462 125 H2* U 287 H2* U 287 86.444 3.381 18.461 126 2HO* U 287 2HO* U 287 87.797 4.441 17.134 127 H1* U 287 H1* U 287 85.098 3.319 15.972 128 H3 U 287 H3 U 287 81.947 4.590 19.012 129 H5 U 287 H5 U 287 82.275 0.443 19.504 130 H6 U 287 H6 U 287 84.202 0.516 17.991 131 1H5* U 288 1H5* U 288 89.404 4.014 18.373 132 2H5* U 288 2H5* U 288 90.633 4.068 19.636 133 H4* U 288 H4* U 288 89.480 6.082 19.852 134 H3* U 288 H3* U 288 88.455 4.102 21.888 135 H2* U 288 H2* U 288 87.167 5.837 22.853 136 2HO* U 288 2HO* U 288 87.868 7.916 22.514 137 H1* U 288 H1* U 288 86.324 6.795 20.307 138 H3 U 288 H3 U 288 82.467 5.435 22.289 139 H5 U 288 H5 U 288 84.367 1.870 21.186 140 H6 U 288 H6 U 288 86.324 3.218 20.575 141 1H5* G 289 1H5* G 289 89.599 7.241 24.799 142 2H5* G 289 2H5* G 289 90.171 6.228 26.124 143 H4* G 289 H4* G 289 88.202 7.610 26.701 144 H3* G 289 H3* G 289 88.006 4.608 26.884 145 H2* G 289 H2* G 289 85.874 4.846 27.906 146 2HO* G 289 2HO* G 289 85.295 6.954 28.641 147 H1* G 289 H1* G 289 85.016 6.739 25.990 148 H8 G 289 H8 G 289 86.952 3.803 24.621 149 H1 G 289 H1 G 289 80.574 2.805 25.081 150 1H2 G 289 1H2 G 289 79.703 4.372 26.100 151 2H2 G 289 2H2 G 289 80.573 5.751 26.736 152 1H5* A 290 1H5* A 290 88.354 2.018 29.878 153 2H5* A 290 2H5* A 290 87.169 2.941 28.954 154 H4* A 290 H4* A 290 86.596 1.573 31.199 155 H3* A 290 H3* A 290 85.283 3.928 29.914 156 H2* A 290 H2* A 290 83.806 4.214 31.743 157 2HO* A 290 2HO* A 290 83.660 1.859 31.922 158 H1* A 290 H1* A 290 85.741 4.138 33.692 159 H8 A 290 H8 A 290 86.756 5.552 30.297 160 1H6 A 290 1H6 A 290 85.580 11.149 32.796 161 2H6 A 290 2H6 A 290 86.192 10.331 31.376 162 H2 A 290 H2 A 290 84.418 8.037 35.747 163 1H5* G 291 1H5* G 291 81.724 2.359 31.886 164 2H5* G 291 2H5* G 291 80.612 2.429 30.519 165 H4* G 291 H4* G 291 79.998 3.872 32.466 166 H3* G 291 H3* G 291 80.302 4.974 29.695 167 H2* G 291 H2* G 291 79.674 7.137 30.443 168 2HO* G 291 2HO* G 291 79.239 5.721 32.916 169 H1* G 291 H1* G 291 81.439 7.170 32.576 170 H8 G 291 H8 G 291 82.390 5.404 29.318 171 H1 G 291 H1 G 291 84.662 11.428 29.969 172 1H2 G 291 1H2 G 291 83.920 12.261 31.704 173 2H2 G 291 2H2 G 291 82.843 11.448 32.816 174 1H5* A 292 1H5* A 292 75.551 4.136 29.913 175 2H5* A 292 2H5* A 292 75.034 4.522 28.272 176 H4* A 292 H4* A 292 74.583 6.269 30.040 177 H3* A 292 H3* A 292 75.948 6.845 27.437 178 H2* A 292 H2* A 292 76.155 9.143 27.991 179 2HO* A 292 2HO* A 292 74.766 8.484 30.418 180 H1* A 292 H1* A 292 77.212 8.683 30.514 181 H8 A 292 H8 A 292 78.088 6.326 27.635 182 1H6 A 292 1H6 A 292 83.337 9.664 27.128 183 2H6 A 292 2H6 A 292 82.482 8.266 26.517 184 H2 A 292 H2 A 292 80.780 11.556 30.230 185 1H5* A 293 1H5* A 293 74.525 10.620 27.380 186 2H5* A 293 2H5* A 293 73.971 10.718 25.709 187 H4* A 293 H4* A 293 76.028 12.055 26.275 188 H3* A 293 H3* A 293 75.937 10.103 23.995 189 H2* A 293 H2* A 293 78.142 10.715 23.363 190 2HO* A 293 2HO* A 293 79.009 12.516 24.921 191 H1* A 293 H1* A 293 79.182 10.480 25.930 192 H8 A 293 H8 A 293 76.678 7.796 25.692 193 1H6 A 293 1H6 A 293 80.924 4.387 22.642 194 2H6 A 293 2H6 A 293 79.364 4.332 23.431 195 H2 A 293 H2 A 293 82.434 8.557 22.928 196 1H5* A 294 1H5* A 294 78.059 13.756 22.833 197 2H5* A 294 2H5* A 294 77.333 14.230 21.297 198 H4* A 294 H4* A 294 79.716 14.206 21.060 199 H3* A 294 H3* A 294 78.241 12.049 19.587 200 H2* A 294 H2* A 294 80.277 11.280 18.631 201 2HO* A 294 2HO* A 294 81.671 12.916 18.346 202 H1* A 294 H1* A 294 81.615 11.246 21.094 203 H8 A 294 H8 A 294 78.073 10.102 21.469 204 1H6 A 294 1H6 A 294 80.115 4.376 20.050 205 2H6 A 294 2H6 A 294 78.735 5.289 20.621 206 H2 A 294 H2 A 294 83.430 7.250 19.342 207 1H5* C 295 1H5* C 295 80.565 13.975 17.094 208 2H5* C 295 2H5* C 295 80.093 14.459 15.465 209 H4* C 295 H4* C 295 81.903 13.038 15.133 210 H3* C 295 H3* C 295 79.333 11.516 14.723 211 H2* C 295 H2* C 295 80.600 9.644 13.999 212 2HO* C 295 2HO* C 295 82.636 10.056 13.230 213 H1* C 295 H1* C 295 82.425 9.864 16.142 214 1H4 C 295 1H4 C 295 78.320 5.359 18.032 215 2H4 C 295 2H4 C 295 77.163 6.599 18.460 216 H5 C 295 H5 C 295 77.485 8.900 18.038 217 H6 C 295 H6 C 295 79.013 10.595 17.093 218 1H5* U 296 1H5* U 296 81.454 11.377 11.167 219 2H5* U 296 2H5* U 296 80.532 11.287 9.667 220 H4* U 296 H4* U 296 81.846 9.294 9.916 221 H3* U 296 H3* U 296 78.876 8.894 10.259 222 H2* U 296 H2* U 296 79.233 6.559 10.335 223 2HO* U 296 2HO* U 296 80.797 6.074 8.906 224 H1* U 296 H1* U 296 81.538 6.865 12.010 225 H3 U 296 H3 U 296 78.496 4.311 14.310 226 H5 U 296 H5 U 296 77.259 8.273 14.867 227 H6 U 296 H6 U 296 78.922 8.925 13.186 228 1H5* A 297 1H5* A 297 80.201 6.639 6.977 229 2H5* A 297 2H5* A 297 79.045 6.388 5.669 230 H4* A 297 H4* A 297 79.686 4.262 6.570 231 H3* A 297 H3* A 297 76.861 5.101 7.191 232 H2* A 297 H2* A 297 76.463 2.955 8.137 233 2HO* A 297 2HO* A 297 77.903 1.310 7.608 234 H1* A 297 H1* A 297 78.874 3.034 9.620 235 H8 A 297 H8 A 297 77.300 6.350 9.893 236 1H6 A 297 1H6 A 297 73.684 4.029 14.419 237 2H6 A 297 2H6 A 297 74.193 5.504 13.627 238 H2 A 297 H2 A 297 75.774 0.646 12.437 239 1H5* G 298 1H5* G 298 76.746 0.716 5.791 240 2H5* G 298 2H5* G 298 75.449 0.871 4.606 241 H4* G 298 H4* G 298 75.004 -0.946 6.154 242 H3* G 298 H3* G 298 73.150 1.410 6.177 243 H2* G 298 H2* G 298 71.783 0.360 7.814 244 2HO* G 298 2HO* G 298 73.628 -1.838 7.613 245 H1* G 298 H1* G 298 74.036 -0.334 9.399 246 H8 G 298 H8 G 298 74.485 3.145 8.294 247 H1 G 298 H1 G 298 70.260 2.632 13.170 248 1H2 G 298 1H2 G 298 69.758 0.650 13.441 249 2H2 G 298 2H2 G 298 70.388 -0.675 12.489 250 1H5* C 299 1H5* C 299 71.045 -1.505 6.164 251 2H5* C 299 2H5* C 299 69.723 -1.905 5.068 252 H4* C 299 H4* C 299 68.801 -1.841 7.238 253 H3* C 299 H3* C 299 68.096 0.569 5.590 254 H2* C 299 H2* C 299 66.781 1.428 7.345 255 2HO* C 299 2HO* C 299 66.529 -0.169 9.217 256 H1* C 299 H1* C 299 68.733 0.627 9.314 257 1H4 C 299 1H4 C 299 69.043 7.013 8.973 258 2H4 C 299 2H4 C 299 70.160 6.849 7.637 259 H5 C 299 H5 C 299 70.709 4.786 6.626 260 H6 C 299 H6 C 299 70.315 2.349 6.648 261 1H5* U 300 1H5* U 300 65.167 -1.761 7.519 262 2H5* U 300 2H5* U 300 63.634 -2.075 6.706 263 H4* U 300 H4* U 300 63.062 -1.522 8.908 264 H3* U 300 H3* U 300 62.621 0.794 7.040 265 H2* U 300 H2* U 300 61.707 2.061 8.822 266 2HO* U 300 2HO* U 300 60.936 0.929 10.589 267 H1* U 300 H1* U 300 63.747 1.453 10.614 268 H3 U 300 H3 U 300 64.779 5.727 9.613 269 H5 U 300 H5 U 300 65.747 3.653 6.106 270 H6 U 300 H6 U 300 64.772 1.653 7.137 271 1H5* C 301 1H5* C 301 58.572 -0.421 8.294 272 2H5* C 301 2H5* C 301 57.321 0.347 7.318 273 H4* C 301 H4* C 301 57.502 1.295 9.586 274 H3* C 301 H3* C 301 57.925 3.042 7.187 275 H2* C 301 H2* C 301 58.225 4.940 8.571 276 2HO* C 301 2HO* C 301 56.516 4.047 9.980 277 H1* C 301 H1* C 301 59.924 3.471 10.353 278 1H4 C 301 1H4 C 301 63.822 7.239 6.961 279 2H4 C 301 2H4 C 301 63.823 6.043 5.684 280 H5 C 301 H5 C 301 62.470 4.107 5.693 281 H6 C 301 H6 C 301 60.766 2.830 6.943 282 1H5* U 302 1H5* U 302 55.025 4.977 9.147 283 2H5* U 302 2H5* U 302 53.660 5.576 8.204 284 H4* U 302 H4* U 302 54.629 7.514 9.014 285 H3* U 302 H3* U 302 55.636 7.007 6.221 286 H2* U 302 H2* U 302 56.781 9.094 6.286 287 2HO* U 302 2HO* U 302 54.933 9.932 7.566 288 H1* U 302 H1* U 302 57.908 8.551 8.807 289 H3 U 302 H3 U 302 61.664 8.159 6.384 290 H5 U 302 H5 U 302 59.285 5.043 4.912 291 H6 U 302 H6 U 302 57.483 5.870 6.353 292 1H5* G 303 1H5* G 303 53.757 10.593 6.193 293 2H5* G 303 2H5* G 303 52.958 11.190 4.739 294 H4* G 303 H4* G 303 54.824 12.583 5.083 295 H3* G 303 H3* G 303 55.376 10.566 2.900 296 H2* G 303 H2* G 303 57.374 11.721 2.423 297 2HO* G 303 2HO* G 303 56.783 13.722 4.337 298 H1* G 303 H1* G 303 57.901 12.144 5.225 299 H8 G 303 H8 G 303 57.160 8.594 4.409 300 H1 G 303 H1 G 303 63.327 10.227 3.319 301 1H2 G 303 1H2 G 303 63.530 12.275 3.449 302 2H2 G 303 2H2 G 303 62.224 13.384 3.801 303 1H5* U 304 1H5* U 304 54.835 14.458 1.113 304 2H5* U 304 2H5* U 304 54.801 14.544 -0.648 305 H4* U 304 H4* U 304 56.927 15.317 0.440 306 H3* U 304 H3* U 304 56.974 13.138 -1.651 307 H2* U 304 H2* U 304 59.333 13.284 -1.667 308 2HO* U 304 2HO* U 304 59.324 15.577 -1.590 309 H1* U 304 H1* U 304 59.452 13.488 1.183 310 H3 U 304 H3 U 304 61.747 9.684 0.134 311 H5 U 304 H5 U 304 57.711 8.606 -0.159 312 H6 U 304 H6 U 304 57.159 10.979 0.118 313 1H5* A 305 1H5* A 305 58.602 18.493 -2.054 314 2H5* A 305 2H5* A 305 57.700 19.328 -3.319 315 H4* A 305 H4* A 305 59.522 18.467 -4.455 316 H3* A 305 H3* A 305 57.207 16.560 -4.774 317 H2* A 305 H2* A 305 58.519 15.177 -6.096 318 2HO* A 305 2HO* A 305 59.056 17.093 -7.361 319 H1* A 305 H1* A 305 60.949 16.093 -4.670 320 H8 A 305 H8 A 305 57.948 13.793 -3.958 321 1H6 A 305 1H6 A 305 62.221 9.292 -3.290 322 2H6 A 305 2H6 A 305 60.507 9.638 -3.242 323 H2 A 305 H2 A 305 64.331 13.081 -4.261 324 1H5* U 306 1H5* U 306 54.558 17.311 -3.859 325 2H5* U 306 2H5* U 306 53.824 18.630 -4.773 326 H4* U 306 H4* U 306 53.581 18.570 -2.198 327 H3* U 306 H3* U 306 54.230 21.003 -3.845 328 H2* U 306 H2* U 306 54.406 22.301 -1.941 329 2HO* U 306 2HO* U 306 53.111 20.321 -0.367 330 H1* U 306 H1* U 306 55.125 19.885 -0.357 331 H3 U 306 H3 U 306 58.731 21.815 1.417 332 H5 U 306 H5 U 306 58.491 23.687 -2.322 333 H6 U 306 H6 U 306 56.530 22.290 -2.784 334 1H5* C 307 1H5* C 307 50.647 21.016 -0.926 335 2H5* C 307 2H5* C 307 49.490 20.897 -2.251 336 H4* C 307 H4* C 307 48.944 22.046 0.115 337 H3* C 307 H3* C 307 47.797 22.530 -2.613 338 H2* C 307 H2* C 307 46.429 24.276 -1.768 339 2HO* C 307 2HO* C 307 47.545 23.453 0.759 340 H1* C 307 H1* C 307 48.512 25.533 -0.406 341 1H4 C 307 1H4 C 307 48.166 28.274 -6.198 342 2H4 C 307 2H4 C 307 49.470 27.223 -6.704 343 H5 C 307 H5 C 307 50.339 25.473 -5.378 344 H6 C 307 H6 C 307 50.170 24.289 -3.217 345 1H5* U 308 1H5* U 308 43.021 20.219 -1.285 346 2H5* U 308 2H5* U 308 42.608 20.726 0.353 347 H4* U 308 H4* U 308 43.231 18.214 -0.269 348 H3* U 308 H3* U 308 43.831 19.690 2.299 349 H2* U 308 H2* U 308 44.831 17.781 3.133 350 2HO* U 308 2HO* U 308 43.328 16.225 2.904 351 H1* U 308 H1* U 308 45.392 16.866 0.354 352 H3 U 308 H3 U 308 49.778 16.281 0.996 353 H5 U 308 H5 U 308 48.767 18.938 4.071 354 H6 U 308 H6 U 308 46.492 18.974 3.159 355 1H5* G 309 1H5* G 309 41.521 18.489 6.109 356 2H5* G 309 2H5* G 309 40.158 19.167 5.218 357 H4* G 309 H4* G 309 40.674 20.512 7.170 358 H3* G 309 H3* G 309 41.160 21.799 4.487 359 H2* G 309 H2* G 309 41.648 23.833 5.569 360 2HO* G 309 2HO* G 309 40.634 22.413 7.863 361 H1* G 309 H1* G 309 43.088 22.460 7.665 362 H8 G 309 H8 G 309 43.454 22.523 3.837 363 H1 G 309 H1 G 309 48.277 25.268 7.166 364 1H2 G 309 1H2 G 309 47.876 25.148 9.185 365 2H2 G 309 2H2 G 309 46.446 24.414 9.874 366 1H5* G 310 1H5* G 310 39.728 25.137 5.456 367 2H5* G 310 2H5* G 310 38.346 24.218 6.050 368 H4* G 310 H4* G 310 38.225 26.802 5.329 369 H3* G 310 H3* G 310 36.069 24.690 5.193 370 H2* G 310 H2* G 310 34.554 26.364 4.495 371 2HO* G 310 2HO* G 310 35.041 28.475 5.047 372 H1* G 310 H1* G 310 36.520 27.547 2.767 373 H8 G 310 H8 G 310 36.422 23.945 2.098 374 H1 G 310 H1 G 310 31.439 27.065 -0.608 375 1H2 G 310 1H2 G 310 31.326 28.977 0.158 376 2H2 G 310 2H2 G 310 32.419 29.636 1.355 377 1H5* C 311 1H5* C 311 34.959 27.767 7.599 378 2H5* C 311 2H5* C 311 34.212 27.491 9.172 379 H4* C 311 H4* C 311 32.715 28.906 8.116 380 H3* C 311 H3* C 311 31.777 26.063 7.781 381 H2* C 311 H2* C 311 29.793 26.872 6.753 382 2HO* C 311 2HO* C 311 29.316 29.083 7.002 383 H1* C 311 H1* C 311 31.242 28.648 5.087 384 1H4 C 311 1H4 C 311 29.953 23.565 1.430 385 2H4 C 311 2H4 C 311 31.371 22.770 2.076 386 H5 C 311 H5 C 311 32.697 23.656 3.818 387 H6 C 311 H6 C 311 32.991 25.541 5.385 388 1H5* G 312 1H5* G 312 27.869 28.039 10.144 389 2H5* G 312 2H5* G 312 27.088 26.459 10.223 390 H4* G 312 H4* G 312 26.216 28.542 8.724 391 H3* G 312 H3* G 312 25.771 25.589 8.508 392 H2* G 312 H2* G 312 24.562 25.872 6.480 393 2HO* G 312 2HO* G 312 25.032 28.668 6.541 394 H1* G 312 H1* G 312 26.503 27.408 5.263 395 H8 G 312 H8 G 312 28.694 25.290 7.165 396 H1 G 312 H1 G 312 25.736 21.920 2.499 397 1H2 G 312 1H2 G 312 24.150 23.011 1.760 398 2H2 G 312 2H2 G 312 23.691 24.603 2.321 399 1H5* G 313 1H5* G 313 22.480 27.131 6.407 400 2H5* G 313 2H5* G 313 21.181 26.826 7.560 401 H4* G 313 H4* G 313 20.386 26.017 5.516 402 H3* G 313 H3* G 313 21.352 23.791 7.287 403 H2* G 313 H2* G 313 20.682 22.190 5.673 404 2HO* G 313 2HO* G 313 19.650 23.456 3.682 405 H1* G 313 H1* G 313 21.881 23.485 3.533 406 H8 G 313 H8 G 313 23.861 23.891 6.708 407 H1 G 313 H1 G 313 25.195 18.470 3.436 408 1H2 G 313 1H2 G 313 23.837 18.239 1.901 409 2H2 G 313 2H2 G 313 22.531 19.350 1.553 410 1H5* A 314 1H5* A 314 17.576 23.302 5.507 411 2H5* A 314 2H5* A 314 16.389 22.325 6.368 412 H4* A 314 H4* A 314 16.754 21.461 4.134 413 H3* A 314 H3* A 314 17.627 19.730 6.431 414 H2* A 314 H2* A 314 18.195 17.995 4.914 415 2HO* A 314 2HO* A 314 17.175 19.770 2.892 416 H1* A 314 H1* A 314 19.649 19.642 3.218 417 H8 A 314 H8 A 314 19.999 20.698 6.810 418 1H6 A 314 1H6 A 314 24.810 16.735 7.131 419 2H6 A 314 2H6 A 314 23.950 17.993 7.991 420 H2 A 314 H2 A 314 22.781 16.145 3.223 421 1H5* C 315 1H5* C 315 16.848 16.876 3.694 422 2H5* C 315 2H5* C 315 15.488 15.986 4.378 423 H4* C 315 H4* C 315 17.569 14.654 3.807 424 H3* C 315 H3* C 315 15.731 14.168 5.788 425 H2* C 315 H2* C 315 16.991 15.006 7.591 426 2HO* C 315 2HO* C 315 18.305 12.506 7.345 427 H1* C 315 H1* C 315 19.571 13.875 6.489 428 1H4 C 315 1H4 C 315 22.206 18.456 10.014 429 2H4 C 315 2H4 C 315 20.730 19.394 9.972 430 H5 C 315 H5 C 315 18.782 18.730 8.814 431 H6 C 315 H6 C 315 17.760 16.985 7.397 432 1H5* C 316 1H5* C 316 17.973 13.136 2.596 433 2H5* C 316 2H5* C 316 16.489 13.079 1.645 434 H4* C 316 H4* C 316 17.283 11.316 0.296 435 H3* C 316 H3* C 316 19.166 10.732 2.516 436 H2* C 316 H2* C 316 20.940 10.138 1.051 437 2HO* C 316 2HO* C 316 19.645 10.752 -1.311 438 H1* C 316 H1* C 316 20.787 12.438 -0.465 439 1H4 C 316 1H4 C 316 24.727 14.351 4.144 440 2H4 C 316 2H4 C 316 23.465 14.171 5.342 441 H5 C 316 H5 C 316 21.300 13.358 4.861 442 H6 C 316 H6 C 316 19.799 12.509 3.094 443 1H5* C 317 1H5* C 317 19.340 7.409 -0.118 444 2H5* C 317 2H5* C 317 19.694 5.889 0.704 445 H4* C 317 H4* C 317 21.463 6.459 -0.850 446 H3* C 317 H3* C 317 22.175 6.503 2.076 447 H2* C 317 H2* C 317 24.449 6.859 1.492 448 2HO* C 317 2HO* C 317 24.838 5.725 -0.323 449 H1* C 317 H1* C 317 23.834 8.878 -0.364 450 1H4 C 317 1H4 C 317 25.279 12.098 4.947 451 2H4 C 317 2H4 C 317 23.710 11.706 5.614 452 H5 C 317 H5 C 317 22.148 10.285 4.554 453 H6 C 317 H6 C 317 21.703 8.878 2.575 454 1H5* G 318 1H5* G 318 24.673 3.818 0.238 455 2H5* G 318 2H5* G 318 24.686 2.190 0.915 456 H4* G 318 H4* G 318 26.938 2.791 0.742 457 H3* G 318 H3* G 318 25.937 3.072 3.560 458 H2* G 318 H2* G 318 28.110 3.689 4.287 459 2HO* G 318 2HO* G 318 29.742 3.629 2.389 460 H1* G 318 H1* G 318 28.489 5.575 2.278 461 H8 G 318 H8 G 318 24.928 5.356 3.525 462 H1 G 318 H1 G 318 28.677 9.457 6.842 463 1H2 G 318 1H2 G 318 30.633 9.258 6.222 464 2H2 G 318 2H2 G 318 31.178 8.146 4.986 465 1H5* U 319 1H5* U 319 28.492 1.004 4.214 466 2H5* U 319 2H5* U 319 28.783 -0.359 5.294 467 H4* U 319 H4* U 319 28.117 2.403 5.906 468 H3* U 319 H3* U 319 29.337 0.075 7.368 469 H2* U 319 H2* U 319 29.055 1.247 9.427 470 2HO* U 319 2HO* U 319 28.640 3.453 9.307 471 H1* U 319 H1* U 319 26.361 1.861 8.809 472 H3 U 319 H3 U 319 25.369 -1.054 12.053 473 H5 U 319 H5 U 319 27.660 -3.377 9.428 474 H6 U 319 H6 U 319 27.990 -1.354 8.082 475 1H5* G 320 1H5* G 320 30.641 3.635 5.790 476 2H5* G 320 2H5* G 320 30.957 3.838 4.066 477 H4* G 320 H4* G 320 33.460 3.805 4.752 478 H3* G 320 H3* G 320 32.200 3.855 7.416 479 H2* G 320 H2* G 320 33.404 5.742 8.195 480 2HO* G 320 2HO* G 320 35.362 5.252 7.199 481 H1* G 320 H1* G 320 32.801 7.373 6.093 482 H8 G 320 H8 G 320 29.801 5.339 6.054 483 H1 G 320 H1 G 320 29.908 9.283 11.184 484 1H2 G 320 1H2 G 320 31.804 10.061 11.415 485 2H2 G 320 2H2 G 320 33.162 9.698 10.374 486 1H5* G 321 1H5* G 321 36.700 4.469 8.455 487 2H5* G 321 2H5* G 321 36.784 3.339 9.807 488 H4* G 321 H4* G 321 37.504 5.652 10.360 489 H3* G 321 H3* G 321 35.291 4.304 11.866 490 H2* G 321 H2* G 321 35.065 6.188 13.298 491 2HO* G 321 2HO* G 321 36.772 7.645 13.357 492 H1* G 321 H1* G 321 35.093 7.989 11.098 493 H8 G 321 H8 G 321 32.834 5.350 10.053 494 H1 G 321 H1 G 321 30.133 9.118 14.568 495 1H2 G 321 1H2 G 321 31.586 10.286 15.450 496 2H2 G 321 2H2 G 321 33.283 10.250 15.028 497 1H5* U 322 1H5* U 322 38.495 4.332 15.114 498 2H5* U 322 2H5* U 322 37.929 3.173 16.316 499 H4* U 322 H4* U 322 37.786 5.605 16.959 500 H3* U 322 H3* U 322 35.451 3.729 17.130 501 H2* U 322 H2* U 322 34.095 5.446 18.037 502 2HO* U 322 2HO* U 322 36.302 7.241 17.913 503 H1* U 322 H1* U 322 35.061 7.336 16.113 504 H3 U 322 H3 U 322 30.528 7.017 15.515 505 H5 U 322 H5 U 322 32.131 3.693 13.533 506 H6 U 322 H6 U 322 34.293 4.259 14.542 507 1H5* G 323 1H5* G 323 35.914 4.700 21.685 508 2H5* G 323 2H5* G 323 36.138 3.039 22.235 509 H4* G 323 H4* G 323 34.428 3.836 23.584 510 H3* G 323 H3* G 323 33.314 2.221 21.317 511 H2* G 323 H2* G 323 31.104 2.534 22.146 512 2HO* G 323 2HO* G 323 30.893 3.213 24.269 513 H1* G 323 H1* G 323 31.351 5.284 22.364 514 H8 G 323 H8 G 323 33.363 4.247 19.420 515 H1 G 323 H1 G 323 27.026 4.619 18.162 516 1H2 G 323 1H2 G 323 25.984 4.829 19.929 517 2H2 G 323 2H2 G 323 26.718 4.895 21.515 518 1H5* G 324 1H5* G 324 31.725 -1.715 21.862 519 2H5* G 324 2H5* G 324 31.759 -1.276 20.153 520 H4* G 324 H4* G 324 30.268 0.757 21.319 521 H3* G 324 H3* G 324 29.976 -1.626 23.003 522 H2* G 324 H2* G 324 27.652 -1.894 22.717 523 2HO* G 324 2HO* G 324 26.938 0.189 22.742 524 H1* G 324 H1* G 324 27.591 -1.791 20.011 525 H8 G 324 H8 G 324 30.930 -3.084 20.173 526 H1 G 324 H1 G 324 26.684 -7.499 22.260 527 1H2 G 324 1H2 G 324 24.870 -6.590 22.632 528 2H2 G 324 2H2 G 324 24.549 -4.885 22.409 529 1H5* A 325 1H5* A 325 26.874 0.563 24.701 530 2H5* A 325 2H5* A 325 27.178 0.727 26.431 531 H4* A 325 H4* A 325 25.061 -0.317 26.164 532 H3* A 325 H3* A 325 27.236 -2.131 27.148 533 H2* A 325 H2* A 325 25.720 -3.944 27.295 534 2HO* A 325 2HO* A 325 23.696 -3.317 27.771 535 H1* A 325 H1* A 325 24.635 -3.589 24.775 536 H8 A 325 H8 A 325 28.175 -2.620 24.416 537 1H6 A 325 1H6 A 325 29.555 -8.686 23.923 538 2H6 A 325 2H6 A 325 30.193 -7.068 23.737 539 H2 A 325 H2 A 325 25.333 -8.325 25.258 540 1H5* A 326 1H5* A 326 25.354 -2.002 31.474 541 2H5* A 326 2H5* A 326 26.671 -2.934 32.186 542 H4* A 326 H4* A 326 24.332 -4.022 31.661 543 H3* A 326 H3* A 326 27.061 -5.232 31.508 544 H2* A 326 H2* A 326 26.176 -7.284 30.683 545 2HO* A 326 2HO* A 326 23.705 -5.886 31.160 546 H1* A 326 H1* A 326 24.731 -6.086 28.650 547 H8 A 326 H8 A 326 27.525 -3.868 28.535 548 1H6 A 326 1H6 A 326 31.007 -8.376 25.984 549 2H6 A 326 2H6 A 326 30.923 -6.657 26.302 550 H2 A 326 H2 A 326 27.320 -10.230 27.632 551 1H5* C 327 1H5* C 327 24.873 -8.166 33.469 552 2H5* C 327 2H5* C 327 25.724 -8.790 34.881 553 H4* C 327 H4* C 327 25.239 -10.592 33.360 554 H3* C 327 H3* C 327 28.130 -9.858 33.687 555 H2* C 327 H2* C 327 28.764 -11.667 32.274 556 2HO* C 327 2HO* C 327 25.930 -12.180 32.353 557 H1* C 327 H1* C 327 26.997 -10.962 30.251 558 1H4 C 327 1H4 C 327 32.512 -7.954 28.955 559 2H4 C 327 2H4 C 327 31.850 -6.529 29.725 560 H5 C 327 H5 C 327 29.790 -6.494 30.881 561 H6 C 327 H6 C 327 27.839 -7.833 31.590 562 1H5* U 328 1H5* U 328 27.884 -13.880 33.753 563 2H5* U 328 2H5* U 328 28.466 -14.564 35.271 564 H4* U 328 H4* U 328 29.423 -15.815 33.488 565 H3* U 328 H3* U 328 31.368 -14.007 34.900 566 H2* U 328 H2* U 328 33.137 -14.897 33.594 567 2HO* U 328 2HO* U 328 32.738 -17.006 33.257 568 H1* U 328 H1* U 328 31.761 -14.648 31.179 569 H3 U 328 H3 U 328 35.201 -11.545 31.587 570 H5 U 328 H5 U 328 31.699 -9.651 32.887 571 H6 U 328 H6 U 328 30.611 -11.848 32.836 572 1H5* G 329 1H5* G 329 34.594 -17.636 36.505 573 2H5* G 329 2H5* G 329 34.591 -16.307 37.664 574 H4* G 329 H4* G 329 36.610 -16.901 35.911 575 H3* G 329 H3* G 329 35.938 -14.435 37.484 576 H2* G 329 H2* G 329 37.712 -13.256 36.447 577 2HO* G 329 2HO* G 329 39.377 -14.486 35.722 578 H1* G 329 H1* G 329 37.000 -14.283 33.871 579 H8 G 329 H8 G 329 33.923 -13.050 35.402 580 H1 G 329 H1 G 329 37.652 -8.215 33.258 581 1H2 G 329 1H2 G 329 39.533 -8.938 32.821 582 2H2 G 329 2H2 G 329 40.026 -10.605 33.008 583 1H5* U 330 1H5* U 330 36.810 -12.645 39.734 584 2H5* U 330 2H5* U 330 37.152 -11.888 38.178 585 H4* U 330 H4* U 330 37.894 -10.707 40.352 586 H3* U 330 H3* U 330 39.574 -11.013 37.874 587 H2* U 330 H2* U 330 41.285 -9.738 38.872 588 2HO* U 330 2HO* U 330 40.711 -8.448 40.694 589 H1* U 330 H1* U 330 40.835 -11.042 41.421 590 H3 U 330 H3 U 330 45.036 -12.525 41.197 591 H5 U 330 H5 U 330 43.560 -13.482 37.396 592 H6 U 330 H6 U 330 41.448 -12.428 38.058 593 1H5* G 331 1H5* G 331 41.536 -6.529 37.064 594 2H5* G 331 2H5* G 331 40.484 -6.922 35.703 595 H4* G 331 H4* G 331 43.140 -7.305 35.692 596 H3* G 331 H3* G 331 40.974 -8.814 34.237 597 H2* G 331 H2* G 331 42.651 -10.130 33.185 598 2HO* G 331 2HO* G 331 44.894 -9.167 34.303 599 H1* G 331 H1* G 331 44.017 -10.567 35.622 600 H8 G 331 H8 G 331 40.290 -10.825 35.946 601 H1 G 331 H1 G 331 43.133 -16.309 34.017 602 1H2 G 331 1H2 G 331 45.113 -15.939 33.573 603 2H2 G 331 2H2 G 331 45.887 -14.376 33.704 604 1H5* A 332 1H5* A 332 42.313 -5.638 30.779 605 2H5* A 332 2H5* A 332 41.451 -6.275 29.379 606 H4* A 332 H4* A 332 43.970 -6.768 29.641 607 H3* A 332 H3* A 332 41.866 -8.759 28.842 608 H2* A 332 H2* A 332 43.551 -10.412 28.531 609 2HO* A 332 2HO* A 332 45.503 -9.599 28.019 610 H1* A 332 H1* A 332 44.729 -9.935 31.014 611 H8 A 332 H8 A 332 40.989 -9.603 31.147 612 1H6 A 332 1H6 A 332 40.843 -15.726 32.345 613 2H6 A 332 2H6 A 332 39.871 -14.273 32.268 614 H2 A 332 H2 A 332 45.009 -14.619 31.272 615 1H5* A 333 1H5* A 333 44.005 -11.171 25.297 616 2H5* A 333 2H5* A 333 42.819 -10.251 24.373 617 H4* A 333 H4* A 333 42.458 -12.776 24.672 618 H3* A 333 H3* A 333 40.347 -10.671 25.041 619 H2* A 333 H2* A 333 38.726 -12.355 25.451 620 2HO* A 333 2HO* A 333 40.335 -13.617 23.861 621 H1* A 333 H1* A 333 40.282 -13.724 27.299 622 H8 A 333 H8 A 333 40.942 -10.067 27.637 623 1H6 A 333 1H6 A 333 35.982 -9.833 31.419 624 2H6 A 333 2H6 A 333 37.349 -8.923 30.815 625 H2 A 333 H2 A 333 36.095 -13.850 29.520 626 1H5* G 334 1H5* G 334 38.933 -14.425 22.719 627 2H5* G 334 2H5* G 334 37.398 -13.920 22.013 628 H4* G 334 H4* G 334 37.543 -15.759 23.911 629 H3* G 334 H3* G 334 35.401 -13.714 23.421 630 H2* G 334 H2* G 334 34.165 -14.549 25.277 631 2HO* G 334 2HO* G 334 35.123 -16.495 26.318 632 H1* G 334 H1* G 334 36.323 -14.449 27.017 633 H8 G 334 H8 G 334 37.059 -11.494 25.119 634 H1 G 334 H1 G 334 31.723 -10.642 28.682 635 1H2 G 334 1H2 G 334 31.048 -12.470 29.359 636 2H2 G 334 2H2 G 334 31.815 -14.004 29.013 637 1H5* U 335 1H5* U 335 33.329 -17.473 24.002 638 2H5* U 335 2H5* U 335 31.887 -17.475 22.987 639 H4* U 335 H4* U 335 31.485 -17.701 25.455 640 H3* U 335 H3* U 335 30.150 -15.587 23.793 641 H2* U 335 H2* U 335 28.906 -14.861 25.682 642 2HO* U 335 2HO* U 335 30.208 -17.075 26.989 643 H1* U 335 H1* U 335 31.140 -14.749 27.355 644 H3 U 335 H3 U 335 29.519 -10.543 26.156 645 H5 U 335 H5 U 335 32.662 -11.448 23.541 646 H6 U 335 H6 U 335 32.602 -13.737 24.419 647 1H5* U 336 1H5* U 336 26.613 -18.056 24.980 648 2H5* U 336 2H5* U 336 25.371 -17.777 23.761 649 H4* U 336 H4* U 336 24.782 -16.886 25.987 650 H3* U 336 H3* U 336 24.968 -15.021 23.636 651 H2* U 336 H2* U 336 24.196 -13.234 24.989 652 2HO* U 336 2HO* U 336 23.864 -15.349 26.918 653 H1* U 336 H1* U 336 25.947 -13.804 27.095 654 H3 U 336 H3 U 336 27.383 -9.923 25.125 655 H5 U 336 H5 U 336 29.061 -13.000 22.834 656 H6 U 336 H6 U 336 27.660 -14.569 24.095 657 1H5* C 337 1H5* C 337 21.982 -13.356 25.516 658 2H5* C 337 2H5* C 337 20.552 -14.030 24.734 659 H4* C 337 H4* C 337 19.855 -11.894 24.782 660 H3* C 337 H3* C 337 21.538 -12.053 22.308 661 H2* C 337 H2* C 337 21.251 -9.735 21.906 662 2HO* C 337 2HO* C 337 19.008 -10.033 22.748 663 H1* C 337 H1* C 337 21.910 -8.945 24.469 664 1H4 C 337 1H4 C 337 27.621 -9.012 21.661 665 2H4 C 337 2H4 C 337 27.587 -10.759 21.583 666 H5 C 337 H5 C 337 25.751 -12.072 22.278 667 H6 C 337 H6 C 337 23.474 -12.030 23.232 668 1H5* G 338 1H5* G 338 18.738 -9.283 20.938 669 2H5* G 338 2H5* G 338 18.293 -9.876 19.338 670 H4* G 338 H4* G 338 19.301 -7.665 19.215 671 H3* G 338 H3* G 338 20.775 -9.948 17.929 672 H2* G 338 H2* G 338 22.433 -8.478 17.147 673 2HO* G 338 2HO* G 338 21.900 -6.234 17.063 674 H1* G 338 H1* G 338 22.310 -6.959 19.629 675 H8 G 338 H8 G 338 23.028 -10.602 20.002 676 H1 G 338 H1 G 338 28.313 -7.036 18.891 677 1H2 G 338 1H2 G 338 27.754 -5.123 18.359 678 2H2 G 338 2H2 G 338 26.099 -4.568 18.233 679 1H5* G 339 1H5* G 339 21.916 -7.260 15.359 680 2H5* G 339 2H5* G 339 21.692 -7.966 13.758 681 H4* G 339 H4* G 339 24.086 -7.531 14.642 682 H3* G 339 H3* G 339 23.117 -9.918 13.131 683 H2* G 339 H2* G 339 24.853 -11.178 13.886 684 2HO* G 339 2HO* G 339 26.986 -9.828 13.516 685 H1* G 339 H1* G 339 25.837 -8.709 15.397 686 H8 G 339 H8 G 339 27.395 -9.455 17.215 687 H1 G 339 H1 G 339 25.028 -15.479 17.250 688 1H2 G 339 1H2 G 339 23.464 -15.612 15.913 689 2H2 G 339 2H2 G 339 22.880 -14.289 14.929 690 1H5* A 340 1H5* A 340 23.397 -5.816 11.363 691 2H5* A 340 2H5* A 340 24.157 -4.363 12.013 692 H4* A 340 H4* A 340 21.500 -4.918 12.130 693 H3* A 340 H3* A 340 23.246 -3.107 13.763 694 H2* A 340 H2* A 340 21.400 -2.545 15.157 695 2HO* A 340 2HO* A 340 19.856 -4.315 13.506 696 H1* A 340 H1* A 340 20.684 -5.268 15.479 697 H8 A 340 H8 A 340 24.279 -5.320 15.875 698 1H6 A 340 1H6 A 340 23.589 -3.044 21.646 699 2H6 A 340 2H6 A 340 24.724 -3.787 20.542 700 H2 A 340 H2 A 340 19.716 -2.618 19.511 701 1H5* A 341 1H5* A 341 19.428 -1.362 13.516 702 2H5* A 341 2H5* A 341 19.631 0.315 13.008 703 H4* A 341 H4* A 341 18.299 0.221 15.013 704 H3* A 341 H3* A 341 21.038 1.428 15.308 705 H2* A 341 H2* A 341 20.536 2.002 17.554 706 2HO* A 341 2HO* A 341 18.329 2.525 16.858 707 H1* A 341 H1* A 341 19.513 -0.517 18.190 708 H8 A 341 H8 A 341 22.465 -0.636 15.845 709 1H6 A 341 1H6 A 341 26.028 -0.962 20.959 710 2H6 A 341 2H6 A 341 26.042 -1.063 19.212 711 H2 A 341 H2 A 341 21.844 -0.167 22.228 712 1H5* C 342 1H5* C 342 18.397 4.367 16.099 713 2H5* C 342 2H5* C 342 18.723 6.062 15.735 714 H4* C 342 H4* C 342 18.741 5.600 18.143 715 H3* C 342 H3* C 342 21.222 6.628 16.815 716 H2* C 342 H2* C 342 22.364 6.686 18.900 717 2HO* C 342 2HO* C 342 19.765 5.908 19.873 718 H1* C 342 H1* C 342 21.718 4.089 19.586 719 1H4 C 342 1H4 C 342 27.196 3.904 16.212 720 2H4 C 342 2H4 C 342 26.254 3.249 14.892 721 H5 C 342 H5 C 342 23.896 3.099 14.906 722 H6 C 342 H6 C 342 21.843 3.546 16.204 723 1H5* A 343 1H5* A 343 21.143 8.818 20.077 724 2H5* A 343 2H5* A 343 21.112 10.551 19.751 725 H4* A 343 H4* A 343 22.937 10.168 21.198 726 H3* A 343 H3* A 343 23.761 10.697 18.360 727 H2* A 343 H2* A 343 26.049 10.593 18.984 728 2HO* A 343 2HO* A 343 25.888 11.630 20.963 729 H1* A 343 H1* A 343 25.795 8.209 20.386 730 H8 A 343 H8 A 343 23.484 8.126 17.460 731 1H6 A 343 1H6 A 343 28.321 6.093 14.082 732 2H6 A 343 2H6 A 343 26.591 6.353 14.066 733 H2 A 343 H2 A 343 29.842 7.375 18.055 734 1H5* C 344 1H5* C 344 25.672 14.226 20.338 735 2H5* C 344 2H5* C 344 25.628 15.500 19.119 736 H4* C 344 H4* C 344 27.915 14.866 19.720 737 H3* C 344 H3* C 344 26.987 14.460 16.895 738 H2* C 344 H2* C 344 29.163 13.733 16.266 739 2HO* C 344 2HO* C 344 30.041 15.333 17.805 740 H1* C 344 H1* C 344 29.344 11.961 18.456 741 1H4 C 344 1H4 C 344 27.525 8.262 13.584 742 2H4 C 344 2H4 C 344 25.880 8.830 13.775 743 H5 C 344 H5 C 344 25.240 10.521 15.295 744 H6 C 344 H6 C 344 26.029 12.099 17.023 745 1H5* C 345 1H5* C 345 30.558 17.354 16.185 746 2H5* C 345 2H5* C 345 30.366 17.658 14.458 747 H4* C 345 H4* C 345 32.330 16.174 15.384 748 H3* C 345 H3* C 345 30.741 15.728 12.861 749 H2* C 345 H2* C 345 32.184 13.918 12.320 750 2HO* C 345 2HO* C 345 33.730 15.444 13.878 751 H1* C 345 H1* C 345 32.026 12.853 14.940 752 1H4 C 345 1H4 C 345 27.957 9.524 11.251 753 2H4 C 345 2H4 C 345 26.679 10.561 11.846 754 H5 C 345 H5 C 345 27.050 12.464 13.194 755 H6 C 345 H6 C 345 28.753 13.855 14.317 756 1H5* C 346 1H5* C 346 34.139 14.972 11.701 757 2H5* C 346 2H5* C 346 34.756 15.915 10.344 758 H4* C 346 H4* C 346 34.946 13.642 9.734 759 H3* C 346 H3* C 346 32.588 14.951 8.368 760 H2* C 346 H2* C 346 32.340 13.006 7.065 761 2HO* C 346 2HO* C 346 34.701 12.985 6.813 762 H1* C 346 H1* C 346 32.995 11.323 9.329 763 1H4 C 346 1H4 C 346 26.767 10.459 8.062 764 2H4 C 346 2H4 C 346 26.419 11.759 9.180 765 H5 C 346 H5 C 346 28.077 13.111 10.183 766 H6 C 346 H6 C 346 30.499 13.552 10.360 767 1H5* G 347 1H5* G 347 35.907 14.636 5.284 768 2H5* G 347 2H5* G 347 35.645 15.764 3.954 769 H4* G 347 H4* G 347 35.670 13.421 3.219 770 H3* G 347 H3* G 347 33.185 15.057 2.817 771 H2* G 347 H2* G 347 32.176 13.249 1.643 772 2HO* G 347 2HO* G 347 34.783 12.083 2.029 773 H1* G 347 H1* G 347 32.876 11.383 3.631 774 H8 G 347 H8 G 347 31.834 14.242 5.593 775 H1 G 347 H1 G 347 26.772 11.369 2.763 776 1H2 G 347 1H2 G 347 27.442 10.070 1.308 777 2H2 G 347 2H2 G 347 29.125 9.799 0.915 778 1H5* G 348 1H5* G 348 34.640 15.119 -1.499 779 2H5* G 348 2H5* G 348 33.611 16.332 -2.261 780 H4* G 348 H4* G 348 33.057 13.845 -2.603 781 H3* G 348 H3* G 348 31.033 15.954 -1.868 782 H2* G 348 H2* G 348 29.311 14.339 -2.163 783 2HO* G 348 2HO* G 348 30.842 12.160 -2.740 784 H1* G 348 H1* G 348 30.717 12.399 -0.655 785 H8 G 348 H8 G 348 31.166 15.316 1.387 786 H1 G 348 H1 G 348 25.002 13.351 1.542 787 1H2 G 348 1H2 G 348 24.666 12.014 0.009 788 2H2 G 348 2H2 G 348 25.876 11.501 -1.147 789 1H5* C 349 1H5* C 349 28.316 13.983 -3.864 790 2H5* C 349 2H5* C 349 27.949 15.067 -5.205 791 H4* C 349 H4* C 349 25.922 14.774 -4.070 792 H3* C 349 H3* C 349 27.196 17.415 -3.410 793 H2* C 349 H2* C 349 25.376 17.984 -2.034 794 2HO* C 349 2HO* C 349 23.811 17.241 -3.512 795 H1* C 349 H1* C 349 25.194 15.269 -1.033 796 1H4 C 349 1H4 C 349 27.242 18.819 3.881 797 2H4 C 349 2H4 C 349 28.871 18.684 3.258 798 H5 C 349 H5 C 349 29.410 17.681 1.188 799 H6 C 349 H6 C 349 28.508 16.550 -0.813 800 1H5* C 350 1H5* C 350 23.633 18.844 -5.893 801 2H5* C 350 2H5* C 350 24.079 20.465 -6.430 802 H4* C 350 H4* C 350 22.179 20.307 -4.773 803 H3* C 350 H3* C 350 24.560 22.093 -4.374 804 H2* C 350 H2* C 350 23.604 22.953 -2.382 805 2HO* C 350 2HO* C 350 21.482 22.953 -3.322 806 H1* C 350 H1* C 350 22.873 20.332 -1.503 807 1H4 C 350 1H4 C 350 28.001 21.907 1.972 808 2H4 C 350 2H4 C 350 29.027 21.435 0.635 809 H5 C 350 H5 C 350 28.212 20.789 -1.485 810 H6 C 350 H6 C 350 26.192 20.434 -2.860 811 1H5* G 351 1H5* G 351 21.517 25.218 -4.509 812 2H5* G 351 2H5* G 351 22.000 26.274 -5.835 813 H4* G 351 H4* G 351 21.805 27.685 -3.983 814 H3* G 351 H3* G 351 24.663 27.019 -4.586 815 H2* G 351 H2* G 351 25.401 28.397 -2.794 816 2HO* G 351 2HO* G 351 23.646 29.904 -3.299 817 H1* G 351 H1* G 351 23.653 27.275 -0.942 818 H8 G 351 H8 G 351 25.076 24.901 -3.539 819 H1 G 351 H1 G 351 28.553 25.367 1.900 820 1H2 G 351 1H2 G 351 27.777 26.863 3.088 821 2H2 G 351 2H2 G 351 26.391 27.845 2.672 822 1H5* C 352 1H5* C 352 24.477 31.220 -4.541 823 2H5* C 352 2H5* C 352 25.631 32.012 -5.614 824 H4* C 352 H4* C 352 26.044 32.483 -3.234 825 H3* C 352 H3* C 352 28.158 31.114 -4.869 826 H2* C 352 H2* C 352 29.640 31.138 -3.021 827 2HO* C 352 2HO* C 352 27.597 32.542 -1.581 828 H1* C 352 H1* C 352 27.603 30.274 -1.226 829 1H4 C 352 1H4 C 352 31.076 25.040 -2.364 830 2H4 C 352 2H4 C 352 30.265 24.847 -3.902 831 H5 C 352 H5 C 352 28.725 26.406 -4.783 832 H6 C 352 H6 C 352 27.573 28.556 -4.400 833 1H5* A 353 1H5* A 353 29.348 35.566 -4.697 834 2H5* A 353 2H5* A 353 30.197 36.051 -6.163 835 H4* A 353 H4* A 353 31.589 36.047 -4.091 836 H3* A 353 H3* A 353 32.387 34.429 -6.499 837 H2* A 353 H2* A 353 34.424 33.855 -5.427 838 2HO* A 353 2HO* A 353 34.496 36.063 -4.550 839 H1* A 353 H1* A 353 33.127 33.250 -2.982 840 H8 A 353 H8 A 353 31.874 32.166 -6.436 841 1H6 A 353 1H6 A 353 34.267 26.582 -5.007 842 2H6 A 353 2H6 A 353 33.363 27.471 -6.213 843 H2 A 353 H2 A 353 35.218 29.390 -1.697 844 1H5* A 354 1H5* A 354 35.776 37.203 -5.704 845 2H5* A 354 2H5* A 354 36.784 37.246 -7.150 846 H4* A 354 H4* A 354 37.856 36.235 -5.129 847 H3* A 354 H3* A 354 37.659 34.717 -7.722 848 H2* A 354 H2* A 354 38.970 32.974 -6.787 849 2HO* A 354 2HO* A 354 40.196 34.740 -5.670 850 H1* A 354 H1* A 354 37.487 32.953 -4.378 851 H8 A 354 H8 A 354 35.133 33.259 -7.215 852 1H6 A 354 1H6 A 354 35.428 27.053 -7.811 853 2H6 A 354 2H6 A 354 34.573 28.488 -8.331 854 H2 A 354 H2 A 354 38.606 28.330 -4.980 855 1H5* C 355 1H5* C 355 42.104 34.867 -7.579 856 2H5* C 355 2H5* C 355 42.508 35.276 -9.246 857 H4* C 355 H4* C 355 43.506 33.161 -8.623 858 H3* C 355 H3* C 355 41.340 33.065 -10.712 859 H2* C 355 H2* C 355 41.756 30.753 -11.023 860 2HO* C 355 2HO* C 355 43.955 31.318 -9.248 861 H1* C 355 H1* C 355 41.882 30.272 -8.221 862 1H4 C 355 1H4 C 355 36.076 28.288 -10.007 863 2H4 C 355 2H4 C 355 35.504 29.939 -9.911 864 H5 C 355 H5 C 355 36.903 31.793 -9.486 865 H6 C 355 H6 C 355 39.219 32.527 -9.044 866 1H5* C 356 1H5* C 356 45.178 32.134 -12.484 867 2H5* C 356 2H5* C 356 45.299 32.071 -14.243 868 H4* C 356 H4* C 356 45.406 29.849 -13.196 869 H3* C 356 H3* C 356 43.117 30.439 -15.070 870 H2* C 356 H2* C 356 42.496 28.150 -14.964 871 2HO* C 356 2HO* C 356 44.041 26.721 -13.858 872 H1* C 356 H1* C 356 42.784 28.069 -12.145 873 1H4 C 356 1H4 C 356 36.505 28.735 -13.071 874 2H4 C 356 2H4 C 356 36.739 30.438 -13.393 875 H5 C 356 H5 C 356 38.856 31.475 -13.523 876 H6 C 356 H6 C 356 41.297 31.129 -13.374 877 1H5* C 357 1H5* C 357 45.350 27.499 -16.129 878 2H5* C 357 2H5* C 357 46.497 27.453 -17.467 879 H4* C 357 H4* C 357 45.678 25.358 -17.672 880 H3* C 357 H3* C 357 43.872 27.100 -19.294 881 H2* C 357 H2* C 357 42.417 25.292 -19.767 882 2HO* C 357 2HO* C 357 43.369 23.194 -18.602 883 H1* C 357 H1* C 357 42.160 24.441 -17.167 884 1H4 C 357 1H4 C 357 37.629 28.904 -17.846 885 2H4 C 357 2H4 C 357 38.776 30.110 -17.305 886 H5 C 357 H5 C 357 41.060 29.665 -16.903 887 H6 C 357 H6 C 357 42.823 27.936 -16.920 888 1H5* U 358 1H5* U 358 43.195 23.628 -21.208 889 2H5* U 358 2H5* U 358 43.904 23.855 -22.806 890 H4* U 358 H4* U 358 41.730 23.186 -23.262 891 H3* U 358 H3* U 358 41.899 26.192 -23.415 892 H2* U 358 H2* U 358 39.655 26.241 -24.196 893 2HO* U 358 2HO* U 358 40.087 24.280 -25.443 894 H1* U 358 H1* U 358 38.799 24.422 -22.195 895 H3 U 358 H3 U 358 36.605 28.137 -20.888 896 H5 U 358 H5 U 358 40.621 29.090 -20.178 897 H6 U 358 H6 U 358 41.212 26.970 -21.260 898 1H5* G 359 1H5* G 359 41.172 24.337 -27.119 899 2H5* G 359 2H5* G 359 41.507 25.087 -28.680 900 H4* G 359 H4* G 359 39.138 24.763 -28.434 901 H3* G 359 H3* G 359 40.046 27.637 -28.338 902 H2* G 359 H2* G 359 37.770 28.312 -28.383 903 2HO* G 359 2HO* G 359 36.198 26.540 -28.750 904 H1* G 359 H1* G 359 37.040 26.396 -26.421 905 H8 G 359 H8 G 359 40.201 28.053 -25.427 906 H1 G 359 H1 G 359 34.961 31.608 -24.090 907 1H2 G 359 1H2 G 359 33.314 30.784 -25.019 908 2H2 G 359 2H2 G 359 33.348 29.345 -26.012 909 1H5* G 360 1H5* G 360 37.971 26.558 -31.707 910 2H5* G 360 2H5* G 360 38.277 27.046 -33.375 911 H4* G 360 H4* G 360 36.111 27.748 -33.065 912 H3* G 360 H3* G 360 37.931 30.069 -32.468 913 H2* G 360 H2* G 360 36.023 31.458 -32.155 914 2HO* G 360 2HO* G 360 34.940 30.300 -33.908 915 H1* G 360 H1* G 360 34.760 29.602 -30.468 916 H8 G 360 H8 G 360 38.424 29.696 -29.776 917 H1 G 360 H1 G 360 35.126 34.426 -26.837 918 1H2 G 360 1H2 G 360 33.201 34.481 -27.570 919 2H2 G 360 2H2 G 360 32.571 33.405 -28.798 920 1H5* G 361 1H5* G 361 35.888 30.823 -36.142 921 2H5* G 361 2H5* G 361 36.628 31.811 -37.401 922 H4* G 361 H4* G 361 34.846 33.078 -36.524 923 H3* G 361 H3* G 361 37.521 34.038 -35.522 924 H2* G 361 H2* G 361 36.438 35.874 -34.476 925 2HO* G 361 2HO* G 361 34.130 34.806 -35.830 926 H1* G 361 H1* G 361 34.422 34.257 -33.359 927 H8 G 361 H8 G 361 37.717 32.537 -33.136 928 H1 G 361 H1 G 361 36.767 36.871 -28.425 929 1H2 G 361 1H2 G 361 35.095 38.000 -28.855 930 2H2 G 361 2H2 G 361 34.100 37.802 -30.279 931 1H5* A 362 1H5* A 362 35.682 36.545 -38.430 932 2H5* A 362 2H5* A 362 36.542 37.580 -39.569 933 H4* A 362 H4* A 362 35.227 39.009 -38.238 934 H3* A 362 H3* A 362 38.137 39.078 -37.496 935 H2* A 362 H2* A 362 37.701 40.778 -35.898 936 2HO* A 362 2HO* A 362 35.643 41.810 -36.000 937 H1* A 362 H1* A 362 35.545 39.445 -34.748 938 H8 A 362 H8 A 362 37.975 36.822 -35.657 939 1H6 A 362 1H6 A 362 41.029 38.140 -30.376 940 2H6 A 362 2H6 A 362 40.908 36.999 -31.696 941 H2 A 362 H2 A 362 37.992 41.312 -31.053 942 1H5* G 363 1H5* G 363 36.760 43.061 -37.134 943 2H5* G 363 2H5* G 363 38.089 44.093 -37.664 944 H4* G 363 H4* G 363 37.273 44.147 -35.186 945 H3* G 363 H3* G 363 40.109 44.269 -36.167 946 H2* G 363 H2* G 363 40.890 44.478 -33.939 947 2HO* G 363 2HO* G 363 39.444 45.237 -32.439 948 H1* G 363 H1* G 363 39.375 42.365 -32.962 949 H8 G 363 H8 G 363 40.321 41.289 -36.341 950 H1 G 363 H1 G 363 45.239 40.840 -32.158 951 1H2 G 363 1H2 G 363 44.760 41.845 -30.422 952 2H2 G 363 2H2 G 363 43.251 42.684 -30.141 953 1H5* A 364 1H5* A 364 42.578 47.963 -36.254 954 2H5* A 364 2H5* A 364 42.760 47.127 -37.796 955 H4* A 364 H4* A 364 42.833 45.865 -35.047 956 H3* A 364 H3* A 364 44.926 47.156 -35.898 957 H2* A 364 H2* A 364 44.899 46.413 -38.176 958 2HO* A 364 2HO* A 364 46.828 44.874 -37.964 959 H1* A 364 H1* A 364 44.770 43.540 -37.162 960 H8 A 364 H8 A 364 42.220 45.278 -39.342 961 1H6 A 364 1H6 A 364 44.419 41.778 -44.018 962 2H6 A 364 2H6 A 364 43.165 42.911 -43.563 963 H2 A 364 H2 A 364 47.032 41.167 -40.477 964 1H5* G 365 1H5* G 365 46.231 47.260 -31.456 965 2H5* G 365 2H5* G 365 47.527 48.152 -32.255 966 H4* G 365 H4* G 365 47.553 45.487 -30.969 967 H3* G 365 H3* G 365 48.983 47.883 -30.629 968 H2* G 365 H2* G 365 50.553 47.480 -32.311 969 2HO* G 365 2HO* G 365 52.288 46.475 -31.108 970 H1* G 365 H1* G 365 50.155 44.496 -31.714 971 H8 G 365 H8 G 365 51.789 43.235 -33.126 972 H1 G 365 H1 G 365 51.728 47.687 -37.822 973 1H2 G 365 1H2 G 365 50.471 49.232 -37.290 974 2H2 G 365 2H2 G 365 49.567 49.310 -35.794 975 1H5* G 366 1H5* G 366 48.250 44.560 -26.219 976 2H5* G 366 2H5* G 366 48.916 44.205 -27.813 977 H4* G 366 H4* G 366 46.019 44.034 -27.828 978 H3* G 366 H3* G 366 47.462 42.448 -25.702 979 H2* G 366 H2* G 366 45.940 40.673 -26.070 980 2HO* G 366 2HO* G 366 44.070 41.883 -26.277 981 H1* G 366 H1* G 366 46.098 41.018 -28.912 982 H8 G 366 H8 G 366 46.225 38.463 -27.441 983 H1 G 366 H1 G 366 52.597 39.312 -28.185 984 1H2 G 366 1H2 G 366 52.981 41.290 -28.629 985 2H2 G 366 2H2 G 366 51.759 42.532 -28.777 986 1H5* U 367 1H5* U 367 43.398 44.773 -23.485 987 2H5* U 367 2H5* U 367 42.452 43.534 -22.659 988 H4* U 367 H4* U 367 41.286 45.253 -24.229 989 H3* U 367 H3* U 367 40.692 42.314 -24.023 990 H2* U 367 H2* U 367 38.925 42.562 -25.592 991 2HO* U 367 2HO* U 367 38.411 44.652 -24.613 992 H1* U 367 H1* U 367 40.470 44.020 -27.403 993 H3 U 367 H3 U 367 40.185 40.065 -29.556 994 H5 U 367 H5 U 367 42.726 39.231 -26.333 995 H6 U 367 H6 U 367 42.264 41.494 -25.511 996 1H5* C 368 1H5* C 368 37.153 44.266 -23.100 997 2H5* C 368 2H5* C 368 36.102 43.523 -21.895 998 H4* C 368 H4* C 368 35.051 43.633 -24.104 999 H3* C 368 H3* C 368 35.588 40.902 -22.942 1000 H2* C 368 H2* C 368 34.351 39.945 -24.724 1001 2HO* C 368 2HO* C 368 32.743 41.229 -25.420 1002 H1* C 368 H1* C 368 35.617 41.579 -26.663 1003 1H4 C 368 1H4 C 368 38.624 35.951 -27.008 1004 2H4 C 368 2H4 C 368 39.627 36.425 -25.656 1005 H5 C 368 H5 C 368 39.320 38.418 -24.424 1006 H6 C 368 H6 C 368 37.961 40.465 -24.185 1007 1H5* C 369 1H5* C 369 31.829 41.459 -23.435 1008 2H5* C 369 2H5* C 369 30.481 41.243 -22.318 1009 H4* C 369 H4* C 369 29.825 39.776 -23.907 1010 H3* C 369 H3* C 369 31.686 38.175 -22.159 1011 H2* C 369 H2* C 369 31.236 36.260 -23.484 1012 2HO* C 369 2HO* C 369 29.360 38.004 -24.803 1013 H1* C 369 H1* C 369 31.554 37.679 -25.907 1014 1H4 C 369 1H4 C 369 37.290 35.012 -25.262 1015 2H4 C 369 2H4 C 369 37.546 35.853 -23.750 1016 H5 C 369 H5 C 369 35.942 37.259 -22.736 1017 H6 C 369 H6 C 369 33.673 38.214 -22.928 1018 1H5* C 370 1H5* C 370 27.920 36.801 -22.325 1019 2H5* C 370 2H5* C 370 27.011 35.838 -21.160 1020 H4* C 370 H4* C 370 27.390 34.418 -22.986 1021 H3* C 370 H3* C 370 29.319 33.821 -20.746 1022 H2* C 370 H2* C 370 30.066 31.922 -21.957 1023 2HO* C 370 2HO* C 370 28.742 31.178 -23.654 1024 H1* C 370 H1* C 370 30.193 33.393 -24.391 1025 1H4 C 370 1H4 C 370 36.275 33.154 -22.511 1026 2H4 C 370 2H4 C 370 35.926 34.257 -21.197 1027 H5 C 370 H5 C 370 33.762 35.056 -20.692 1028 H6 C 370 H6 C 370 31.376 34.994 -21.328 1029 1H5* A 371 1H5* A 371 25.996 30.359 -20.168 1030 2H5* A 371 2H5* A 371 26.498 29.630 -18.642 1031 H4* A 371 H4* A 371 26.556 28.176 -20.740 1032 H3* A 371 H3* A 371 28.794 28.398 -18.753 1033 H2* A 371 H2* A 371 30.051 26.777 -19.963 1034 2HO* A 371 2HO* A 371 28.756 26.023 -21.993 1035 H1* A 371 H1* A 371 29.717 28.060 -22.408 1036 H8 A 371 H8 A 371 30.009 30.784 -19.952 1037 1H6 A 371 1H6 A 371 36.200 30.016 -20.142 1038 2H6 A 371 2H6 A 371 34.918 31.065 -19.580 1039 H2 A 371 H2 A 371 34.308 26.583 -22.235 1040 1H5* G 372 1H5* G 372 28.147 24.186 -19.445 1041 2H5* G 372 2H5* G 372 27.798 23.470 -17.872 1042 H4* G 372 H4* G 372 29.387 22.059 -18.856 1043 H3* G 372 H3* G 372 30.579 23.848 -16.771 1044 H2* G 372 H2* G 372 32.724 22.874 -17.100 1045 2HO* G 372 2HO* G 372 32.526 21.122 -18.966 1046 H1* G 372 H1* G 372 32.586 23.140 -19.895 1047 H8 G 372 H8 G 372 31.129 26.190 -18.391 1048 H1 G 372 H1 G 372 37.599 26.229 -18.378 1049 1H2 G 372 1H2 G 372 38.301 24.352 -18.864 1050 2H2 G 372 2H2 G 372 37.286 22.973 -19.223 1051 1H5* G 373 1H5* G 373 31.582 20.179 -16.301 1052 2H5* G 373 2H5* G 373 31.363 19.170 -14.871 1053 H4* G 373 H4* G 373 33.607 18.899 -15.450 1054 H3* G 373 H3* G 373 33.286 20.817 -13.164 1055 H2* G 373 H2* G 373 35.644 21.058 -13.004 1056 2HO* G 373 2HO* G 373 36.818 19.370 -13.759 1057 H1* G 373 H1* G 373 36.005 21.539 -15.711 1058 H8 G 373 H8 G 373 32.768 23.096 -14.857 1059 H1 G 373 H1 G 373 37.829 26.654 -12.956 1060 1H2 G 373 1H2 G 373 39.554 25.536 -13.112 1061 2H2 G 373 2H2 G 373 39.620 23.880 -13.674 1062 1H5* G 374 1H5* G 374 36.086 17.898 -12.473 1063 2H5* G 374 2H5* G 374 36.117 17.109 -10.896 1064 H4* G 374 H4* G 374 38.315 17.832 -11.291 1065 H3* G 374 H3* G 374 36.847 19.537 -9.322 1066 H2* G 374 H2* G 374 38.743 20.948 -9.037 1067 2HO* G 374 2HO* G 374 39.935 19.014 -10.809 1068 H1* G 374 H1* G 374 39.110 21.252 -11.811 1069 H8 G 374 H8 G 374 35.479 21.347 -11.035 1070 H1 G 374 H1 G 374 38.461 26.984 -9.935 1071 1H2 G 374 1H2 G 374 40.503 26.715 -10.038 1072 2H2 G 374 2H2 G 374 41.290 25.187 -10.372 1073 1H5* U 375 1H5* U 375 40.899 19.134 -7.506 1074 2H5* U 375 2H5* U 375 40.485 18.574 -5.886 1075 H4* U 375 H4* U 375 41.934 20.501 -5.762 1076 H3* U 375 H3* U 375 39.124 20.838 -4.770 1077 H2* U 375 H2* U 375 39.581 23.068 -4.117 1078 2HO* U 375 2HO* U 375 41.801 23.711 -4.056 1079 H1* U 375 H1* U 375 40.911 23.645 -6.563 1080 H3 U 375 H3 U 375 37.347 26.398 -6.867 1081 H5 U 375 H5 U 375 35.665 22.581 -7.242 1082 H6 U 375 H6 U 375 37.882 21.663 -6.741 1083 1H5* U 376 1H5* U 376 41.622 21.699 -1.107 1084 2H5* U 376 2H5* U 376 40.586 21.351 0.277 1085 H4* U 376 H4* U 376 41.320 23.728 0.084 1086 H3* U 376 H3* U 376 38.392 23.024 0.172 1087 H2* U 376 H2* U 376 37.866 25.335 0.289 1088 2HO* U 376 2HO* U 376 39.402 26.306 1.482 1089 H1* U 376 H1* U 376 39.653 26.003 -1.793 1090 H3 U 376 H3 U 376 35.508 26.818 -3.496 1091 H5 U 376 H5 U 376 35.939 22.660 -3.740 1092 H6 U 376 H6 U 376 38.007 22.897 -2.443 1093 2H ALA 1 HN ALA 1 77.932 4.777 -1.004 1094 HA ALA 1 HA ALA 1 76.593 6.768 -2.548 1095 1HB ALA 1 1HB ALA 1 78.585 6.585 -0.401 1096 2HB ALA 1 2HB ALA 1 78.977 7.851 -1.590 1097 3HB ALA 1 3HB ALA 1 77.406 7.871 -0.754 1098 H THR 2 HN THR 2 76.837 5.811 -4.713 1099 HA THR 2 HA THR 2 79.310 6.718 -5.926 1100 HB THR 2 HB THR 2 78.370 3.806 -5.919 1101 HG1 THR 2 HG1 THR 2 80.930 5.146 -5.436 1102 1HG2 THR 2 1HG2 THR 2 79.148 4.638 -8.233 1103 2HG2 THR 2 2HG2 THR 2 80.709 5.022 -7.468 1104 3HG2 THR 2 3HG2 THR 2 80.135 3.338 -7.522 1105 H VAL 3 HN VAL 3 79.165 6.774 -8.316 1106 HA VAL 3 HA VAL 3 76.989 8.097 -9.189 1107 HB VAL 3 HB VAL 3 77.725 7.566 -11.434 1108 1HG1 VAL 3 1HG1 VAL 3 80.174 7.750 -9.654 1109 2HG1 VAL 3 2HG1 VAL 3 79.962 8.397 -11.300 1110 3HG1 VAL 3 3HG1 VAL 3 79.058 9.107 -9.940 1111 1HG2 VAL 3 1HG2 VAL 3 78.280 5.417 -11.813 1112 2HG2 VAL 3 2HG2 VAL 3 79.905 5.903 -11.272 1113 3HG2 VAL 3 3HG2 VAL 3 78.775 5.143 -10.125 1114 H VAL 4 HN VAL 4 74.868 7.579 -9.113 1115 HA VAL 4 HA VAL 4 74.127 4.780 -9.265 1116 HB VAL 4 HB VAL 4 72.613 7.325 -8.667 1117 1HG1 VAL 4 1HG1 VAL 4 71.530 4.503 -8.442 1118 2HG1 VAL 4 2HG1 VAL 4 70.654 6.037 -8.229 1119 3HG1 VAL 4 3HG1 VAL 4 71.230 5.558 -9.844 1120 1HG2 VAL 4 1HG2 VAL 4 73.301 7.015 -6.572 1121 2HG2 VAL 4 2HG2 VAL 4 72.531 5.411 -6.554 1122 3HG2 VAL 4 3HG2 VAL 4 74.225 5.579 -7.075 1123 H SER 5 HN SER 5 72.576 3.962 -10.813 1124 HA SER 5 HA SER 5 72.757 5.451 -13.299 1125 1HB SER 5 2HB SER 5 72.065 2.523 -12.790 1126 2HB SER 5 3HB SER 5 72.176 3.264 -14.374 1127 HG SER 5 HG SER 5 74.458 3.863 -13.702 1128 H GLY 6 HN GLY 6 70.635 4.474 -14.768 1129 1HA GLY 6 1HA GLY 6 68.421 5.882 -13.650 1130 2HA GLY 6 2HA GLY 6 68.472 4.992 -15.160 1131 H GLN 7 HN GLN 7 67.362 5.003 -11.890 1132 HA GLN 7 HA GLN 7 65.736 2.829 -12.267 1133 1HB GLN 7 2HB GLN 7 68.405 2.022 -11.626 1134 2HB GLN 7 3HB GLN 7 67.440 1.738 -10.190 1135 1HG GLN 7 2HG GLN 7 65.701 0.670 -11.875 1136 2HG GLN 7 3HG GLN 7 67.065 0.587 -12.970 1137 1HE2 GLN 7 1HE2 GLN 7 67.307 -1.576 -13.010 1138 2HE2 GLN 7 2HE2 GLN 7 67.797 -2.549 -11.663 1139 H LYS 8 HN LYS 8 64.153 4.050 -11.243 1140 HA LYS 8 HA LYS 8 64.388 4.238 -8.379 1141 1HB LYS 8 2HB LYS 8 64.045 6.601 -8.202 1142 2HB LYS 8 3HB LYS 8 65.470 6.330 -9.184 1143 1HG LYS 8 2HG LYS 8 63.416 6.351 -11.084 1144 2HG LYS 8 3HG LYS 8 62.881 7.554 -9.929 1145 1HD LYS 8 2HD LYS 8 65.747 7.844 -10.450 1146 2HD LYS 8 3HD LYS 8 64.846 7.879 -11.953 1147 1HE LYS 8 2HE LYS 8 64.865 10.151 -11.238 1148 2HE LYS 8 3HE LYS 8 63.266 9.582 -10.800 1149 1HZ LYS 8 1HZ LYS 8 63.737 9.788 -8.655 1150 2HZ LYS 8 2HZ LYS 8 65.232 9.144 -8.779 1151 3HZ LYS 8 3HZ LYS 8 64.993 10.723 -9.118 1152 H GLN 9 HN GLN 9 62.171 5.413 -7.599 1153 HA GLN 9 HA GLN 9 60.055 4.653 -9.414 1154 1HB GLN 9 2HB GLN 9 60.636 2.681 -7.873 1155 2HB GLN 9 3HB GLN 9 60.071 3.662 -6.534 1156 1HG GLN 9 2HG GLN 9 58.202 2.300 -7.231 1157 2HG GLN 9 3HG GLN 9 57.853 3.937 -7.753 1158 1HE2 GLN 9 1HE2 GLN 9 56.465 3.245 -9.351 1159 2HE2 GLN 9 2HE2 GLN 9 56.996 2.520 -10.833 1160 H ASP 10 HN ASP 10 57.977 5.669 -8.882 1161 HA ASP 10 HA ASP 10 58.324 7.841 -6.965 1162 1HB ASP 10 2HB ASP 10 56.926 9.249 -8.423 1163 2HB ASP 10 3HB ASP 10 58.320 8.663 -9.310 1164 H ARG 11 HN ARG 11 56.755 7.795 -5.338 1165 HA ARG 11 HA ARG 11 54.387 6.205 -5.922 1166 1HB ARG 11 2HB ARG 11 56.281 6.094 -3.736 1167 2HB ARG 11 3HB ARG 11 54.733 6.585 -3.077 1168 1HG ARG 11 2HG ARG 11 53.643 4.632 -4.231 1169 2HG ARG 11 3HG ARG 11 55.210 4.131 -4.836 1170 1HD ARG 11 2HD ARG 11 55.586 4.501 -2.041 1171 2HD ARG 11 3HD ARG 11 54.035 3.699 -2.189 1172 HE ARG 11 HE ARG 11 55.560 2.214 -3.901 1173 1HH1 ARG 11 2HH2 ARG 11 56.146 3.304 -0.607 1174 2HH1 ARG 11 1HH2 ARG 11 57.147 1.950 -0.201 1175 1HH2 ARG 11 2HH1 ARG 11 56.880 0.427 -3.365 1176 2HH2 ARG 11 1HH1 ARG 11 57.567 0.303 -1.780 1177 H GLN 12 HN GLN 12 52.322 6.989 -5.015 1178 HA GLN 12 HA GLN 12 52.393 9.651 -3.916 1179 1HB GLN 12 2HB GLN 12 52.172 9.610 -6.564 1180 2HB GLN 12 3HB GLN 12 50.509 9.174 -6.228 1181 1HG GLN 12 2HG GLN 12 51.372 11.399 -4.521 1182 2HG GLN 12 3HG GLN 12 51.619 11.779 -6.214 1183 1HE2 GLN 12 1HE2 GLN 12 49.792 11.255 -7.696 1184 2HE2 GLN 12 2HE2 GLN 12 48.178 11.583 -7.160 1185 H GLY 13 HN GLY 13 51.664 8.532 -1.986 1186 1HA GLY 13 1HA GLY 13 48.806 7.807 -2.131 1187 2HA GLY 13 2HA GLY 13 49.958 6.772 -1.312 1188 H GLY 14 HN GLY 14 47.631 8.191 -0.151 1189 1HA GLY 14 1HA GLY 14 49.090 9.844 1.819 1190 2HA GLY 14 2HA GLY 14 47.537 10.326 1.166 1191 H GLU 15 HN GLU 15 48.539 9.488 3.977 1192 HA GLU 15 HA GLU 15 46.267 7.773 4.474 1193 1HB GLU 15 2HB GLU 15 49.139 7.117 5.200 1194 2HB GLU 15 3HB GLU 15 47.811 6.482 6.151 1195 1HG GLU 15 2HG GLU 15 46.948 5.935 3.571 1196 2HG GLU 15 3HG GLU 15 48.683 5.760 3.399 1197 H ARG 16 HN ARG 16 45.539 7.856 6.756 1198 HA ARG 16 HA ARG 16 45.089 8.871 8.609 1199 1HB ARG 16 2HB ARG 16 47.984 9.100 8.429 1200 2HB ARG 16 3HB ARG 16 47.353 10.549 9.185 1201 1HG ARG 16 2HG ARG 16 47.494 9.224 11.075 1202 2HG ARG 16 3HG ARG 16 45.883 8.761 10.564 1203 1HD ARG 16 2HD ARG 16 47.230 6.940 9.114 1204 2HD ARG 16 3HD ARG 16 48.466 7.215 10.324 1205 HE ARG 16 HE ARG 16 46.094 6.868 11.779 1206 1HH1 ARG 16 2HH2 ARG 16 47.962 4.968 9.482 1207 2HH1 ARG 16 1HH2 ARG 16 47.467 3.445 10.144 1208 1HH2 ARG 16 2HH1 ARG 16 45.440 4.860 12.653 1209 2HH2 ARG 16 1HH1 ARG 16 46.023 3.384 11.959 1210 H ARG 17 HN ARG 17 44.936 11.228 9.689 1211 HA ARG 17 HA ARG 17 43.774 12.846 7.746 1212 1HB ARG 17 2HB ARG 17 44.556 13.391 10.652 1213 2HB ARG 17 3HB ARG 17 43.629 14.524 9.687 1214 1HG ARG 17 2HG ARG 17 41.880 12.767 9.313 1215 2HG ARG 17 3HG ARG 17 42.804 11.644 10.291 1216 1HD ARG 17 2HD ARG 17 42.623 13.881 11.959 1217 2HD ARG 17 3HD ARG 17 41.072 13.894 11.143 1218 HE ARG 17 HE ARG 17 40.504 11.844 12.180 1219 1HH1 ARG 17 2HH2 ARG 17 43.879 12.639 12.783 1220 2HH1 ARG 17 1HH2 ARG 17 44.079 11.428 14.005 1221 1HH2 ARG 17 2HH1 ARG 17 40.767 10.245 13.792 1222 2HH2 ARG 17 1HH1 ARG 17 42.297 10.056 14.583 1223 H ARG 18 HN ARG 18 45.367 13.418 6.154 1224 HA ARG 18 HA ARG 18 47.165 14.340 5.322 1225 1HB ARG 18 2HB ARG 18 46.087 16.497 7.184 1226 2HB ARG 18 3HB ARG 18 47.435 16.829 6.114 1227 1HG ARG 18 2HG ARG 18 46.127 16.770 4.208 1228 2HG ARG 18 3HG ARG 18 45.097 15.491 4.820 1229 1HD ARG 18 2HD ARG 18 44.357 17.460 6.542 1230 2HD ARG 18 3HD ARG 18 44.864 18.467 5.201 1231 HE ARG 18 HE ARG 18 43.056 17.664 3.915 1232 1HH1 ARG 18 2HH2 ARG 18 43.400 15.748 6.846 1233 2HH1 ARG 18 1HH2 ARG 18 41.886 14.931 6.642 1234 1HH2 ARG 18 2HH1 ARG 18 41.059 16.587 3.645 1235 2HH2 ARG 18 1HH1 ARG 18 40.546 15.412 4.809 1236 H SER 19 HN SER 19 47.972 12.571 7.347 1237 HA SER 19 HA SER 19 49.730 12.026 8.501 1238 1HB SER 19 2HB SER 19 50.690 14.498 7.153 1239 2HB SER 19 3HB SER 19 51.581 14.074 8.600 1240 HG SER 19 HG SER 19 51.091 12.334 6.333 1241 H GLN 20 HN GLN 20 48.752 15.472 9.008 1242 HA GLN 20 HA GLN 20 47.737 15.285 11.425 1243 1HB GLN 20 2HB GLN 20 50.595 14.779 11.658 1244 2HB GLN 20 3HB GLN 20 50.175 16.225 12.554 1245 1HG GLN 20 2HG GLN 20 48.833 13.494 12.836 1246 2HG GLN 20 3HG GLN 20 49.951 14.212 13.980 1247 1HE2 GLN 20 1HE2 GLN 20 46.993 13.410 13.922 1248 2HE2 GLN 20 2HE2 GLN 20 46.156 14.751 14.632 1249 H LEU 21 HN LEU 21 47.775 16.871 8.997 1250 HA LEU 21 HA LEU 21 48.980 19.283 9.068 1251 1HB LEU 21 2HB LEU 21 47.112 18.121 7.535 1252 2HB LEU 21 3HB LEU 21 46.092 19.265 8.384 1253 HG LEU 21 HG LEU 21 48.474 19.872 6.623 1254 1HD1 LEU 21 1HD1 LEU 21 46.514 21.367 5.620 1255 2HD1 LEU 21 2HD1 LEU 21 46.751 19.666 5.151 1256 3HD1 LEU 21 3HD1 LEU 21 45.514 20.093 6.357 1257 1HD2 LEU 21 1HD2 LEU 21 48.800 21.469 8.260 1258 2HD2 LEU 21 2HD2 LEU 21 47.723 22.318 7.126 1259 3HD2 LEU 21 3HD2 LEU 21 47.063 21.614 8.621 1260 H ASP 22 HN ASP 22 49.347 20.475 10.882 1261 HA ASP 22 HA ASP 22 47.400 20.591 12.924 1262 1HB ASP 22 2HB ASP 22 50.168 21.267 12.567 1263 2HB ASP 22 3HB ASP 22 49.360 22.730 13.093 1264 H ARG 23 HN ARG 23 46.221 22.564 13.594 1265 HA ARG 23 HA ARG 23 45.205 23.987 11.448 1266 1HB ARG 23 2HB ARG 23 45.067 24.375 14.468 1267 2HB ARG 23 3HB ARG 23 44.253 25.481 13.381 1268 1HG ARG 23 2HG ARG 23 43.820 22.457 13.444 1269 2HG ARG 23 3HG ARG 23 42.749 23.638 14.171 1270 1HD ARG 23 2HD ARG 23 42.609 24.709 11.791 1271 2HD ARG 23 3HD ARG 23 43.333 23.222 11.211 1272 HE ARG 23 HE ARG 23 41.171 22.476 12.889 1273 1HH1 ARG 23 2HH2 ARG 23 41.666 24.173 9.845 1274 2HH1 ARG 23 1HH2 ARG 23 40.119 23.732 9.201 1275 1HH2 ARG 23 2HH1 ARG 23 39.131 21.895 12.040 1276 2HH2 ARG 23 1HH1 ARG 23 38.668 22.429 10.458 1277 H ASP 24 HN ASP 24 48.187 24.284 13.059 1278 HA ASP 24 HA ASP 24 48.371 27.066 12.206 1279 1HB ASP 24 2HB ASP 24 48.808 25.940 14.809 1280 2HB ASP 24 3HB ASP 24 50.388 26.371 14.183 1281 H GLN 25 HN GLN 25 48.903 24.527 10.721 1282 HA GLN 25 HA GLN 25 51.801 24.774 10.479 1283 1HB GLN 25 2HB GLN 25 50.200 22.447 10.961 1284 2HB GLN 25 3HB GLN 25 50.824 22.302 9.330 1285 1HG GLN 25 2HG GLN 25 52.602 21.384 10.527 1286 2HG GLN 25 3HG GLN 25 53.121 23.056 10.442 1287 1HE2 GLN 25 1HE2 GLN 25 53.321 20.686 12.407 1288 2HE2 GLN 25 2HE2 GLN 25 52.999 21.382 13.961 1289 H CYS 26 HN CYS 26 52.440 23.794 8.108 1290 HA CYS 26 HA CYS 26 50.690 25.239 6.257 1291 1HB CYS 26 2HB CYS 26 52.960 26.201 6.510 1292 2HB CYS 26 3HB CYS 26 53.664 24.680 6.002 1293 H ALA 27 HN ALA 27 49.772 24.057 4.578 1294 HA ALA 27 HA ALA 27 50.377 21.208 4.552 1295 1HB ALA 27 1HB ALA 27 48.293 21.716 2.770 1296 2HB ALA 27 2HB ALA 27 48.122 21.201 4.466 1297 3HB ALA 27 3HB ALA 27 48.056 22.931 4.050 1298 H TYR 28 HN TYR 28 52.195 23.397 3.451 1299 HA TYR 28 HA TYR 28 52.256 22.391 0.686 1300 1HB TYR 28 2HB TYR 28 51.602 24.877 1.172 1301 2HB TYR 28 3HB TYR 28 53.210 25.083 1.837 1302 HD1 TYR 28 HD1 TYR 28 51.247 25.405 -1.067 1303 HD2 TYR 28 HD2 TYR 28 55.193 24.352 0.210 1304 HE1 TYR 28 HE1 TYR 28 52.146 25.935 -3.384 1305 HE2 TYR 28 HE2 TYR 28 56.078 24.887 -2.113 1306 HH TYR 28 HH TYR 28 55.475 25.218 -4.234 1307 H CYS 29 HN CYS 29 54.368 24.183 3.049 1308 HA CYS 29 HA CYS 29 56.578 22.544 2.112 1309 1HB CYS 29 2HB CYS 29 58.006 24.179 3.308 1310 2HB CYS 29 3HB CYS 29 56.999 24.924 2.082 1311 H LYS 30 HN LYS 30 54.202 22.762 4.594 1312 HA LYS 30 HA LYS 30 53.862 21.283 6.258 1313 1HB LYS 30 2HB LYS 30 56.121 20.128 5.101 1314 2HB LYS 30 3HB LYS 30 56.589 20.369 6.772 1315 1HG LYS 30 2HG LYS 30 55.470 18.409 7.145 1316 2HG LYS 30 3HG LYS 30 54.034 19.411 7.117 1317 1HD LYS 30 2HD LYS 30 54.948 18.615 4.411 1318 2HD LYS 30 3HD LYS 30 54.538 17.247 5.427 1319 1HE LYS 30 2HE LYS 30 52.559 19.416 5.676 1320 2HE LYS 30 3HE LYS 30 52.728 18.881 4.016 1321 1HZ LYS 30 1HZ LYS 30 51.896 17.347 6.340 1322 2HZ LYS 30 2HZ LYS 30 51.227 17.411 4.851 1323 3HZ LYS 30 3HZ LYS 30 52.601 16.562 5.094 1324 H GLU 31 HN GLU 31 56.338 23.730 6.048 1325 HA GLU 31 HA GLU 31 57.198 23.983 8.582 1326 1HB GLU 31 2HB GLU 31 56.577 25.965 6.399 1327 2HB GLU 31 3HB GLU 31 57.006 26.587 7.980 1328 1HG GLU 31 2HG GLU 31 59.127 26.407 7.034 1329 2HG GLU 31 3HG GLU 31 59.009 24.837 7.806 1330 H LYS 32 HN LYS 32 56.534 25.397 10.409 1331 HA LYS 32 HA LYS 32 53.605 25.546 10.564 1332 1HB LYS 32 2HB LYS 32 53.785 25.137 12.919 1333 2HB LYS 32 3HB LYS 32 54.683 23.892 12.073 1334 1HG LYS 32 2HG LYS 32 56.811 24.993 12.554 1335 2HG LYS 32 3HG LYS 32 55.999 26.414 13.179 1336 1HD LYS 32 2HD LYS 32 55.436 25.391 15.194 1337 2HD LYS 32 3HD LYS 32 55.297 23.798 14.477 1338 1HE LYS 32 2HE LYS 32 57.435 23.286 15.046 1339 2HE LYS 32 3HE LYS 32 58.047 24.708 14.225 1340 1HZ LYS 32 1HZ LYS 32 56.737 25.327 16.670 1341 2HZ LYS 32 2HZ LYS 32 58.018 24.336 16.883 1342 3HZ LYS 32 3HZ LYS 32 58.216 25.777 16.140 1343 H GLY 33 HN GLY 33 52.629 27.451 11.328 1344 1HA GLY 33 1HA GLY 33 53.108 29.557 12.571 1345 2HA GLY 33 2HA GLY 33 54.469 29.762 11.487 1346 H HIS 34 HN HIS 34 53.346 28.873 9.018 1347 HA HIS 34 HA HIS 34 51.234 30.875 8.658 1348 1HB HIS 34 2HB HIS 34 52.130 31.350 6.466 1349 2HB HIS 34 3HB HIS 34 53.367 31.590 7.686 1350 HD1 HIS 34 HD1 HIS 34 55.480 30.133 7.562 1351 HD2 HIS 34 HD2 HIS 34 52.532 29.046 4.782 1352 HE1 HIS 34 HE1 HIS 34 56.582 28.480 5.960 1353 H TRP 35 HN TRP 35 50.026 30.377 6.428 1354 HA TRP 35 HA TRP 35 49.324 27.531 6.578 1355 1HB TRP 35 2HB TRP 35 47.780 30.029 6.092 1356 2HB TRP 35 3HB TRP 35 47.276 28.586 5.234 1357 HD1 TRP 35 HD1 TRP 35 48.369 29.048 8.974 1358 HE1 TRP 35 HE1 TRP 35 46.580 27.975 10.589 1359 HE3 TRP 35 HE3 TRP 35 45.169 27.576 5.307 1360 HZ2 TRP 35 HZ2 TRP 35 44.083 26.660 10.162 1361 HZ3 TRP 35 HZ3 TRP 35 43.078 26.404 5.991 1362 HH2 TRP 35 HH2 TRP 35 42.513 25.941 8.323 1363 H ALA 36 HN ALA 36 48.666 26.564 4.399 1364 HA ALA 36 HA ALA 36 50.760 26.804 2.592 1365 1HB ALA 36 1HB ALA 36 47.965 25.775 1.995 1366 2HB ALA 36 2HB ALA 36 49.501 25.260 1.258 1367 3HB ALA 36 3HB ALA 36 49.152 24.865 2.959 1368 H LYS 37 HN LYS 37 47.508 28.338 2.718 1369 HA LYS 37 HA LYS 37 47.717 29.511 0.156 1370 1HB LYS 37 2HB LYS 37 45.920 29.848 2.541 1371 2HB LYS 37 3HB LYS 37 45.857 31.020 1.240 1372 1HG LYS 37 2HG LYS 37 44.359 29.530 0.333 1373 2HG LYS 37 3HG LYS 37 45.810 28.739 -0.247 1374 1HD LYS 37 2HD LYS 37 45.314 27.870 2.474 1375 2HD LYS 37 3HD LYS 37 43.831 27.699 1.557 1376 1HE LYS 37 2HE LYS 37 46.492 26.697 0.466 1377 2HE LYS 37 3HE LYS 37 45.509 25.705 1.526 1378 1HZ LYS 37 1HZ LYS 37 44.090 26.910 -0.655 1379 2HZ LYS 37 2HZ LYS 37 45.210 25.807 -1.097 1380 3HZ LYS 37 3HZ LYS 37 44.010 25.386 -0.074 1381 H ASP 38 HN ASP 38 49.441 30.032 3.029 1382 HA ASP 38 HA ASP 38 50.039 32.742 2.137 1383 1HB ASP 38 2HB ASP 38 49.131 31.824 4.702 1384 2HB ASP 38 3HB ASP 38 50.809 32.287 4.901 1385 H CYS 39 HN CYS 39 51.146 29.836 1.687 1386 HA CYS 39 HA CYS 39 53.595 29.682 3.051 1387 1HB CYS 39 2HB CYS 39 52.404 27.749 1.999 1388 2HB CYS 39 3HB CYS 39 52.831 28.376 0.419 1389 HA PRO 40 HA PRO 40 55.750 32.613 0.621 1390 1HB PRO 40 2HB PRO 40 58.272 32.189 1.582 1391 2HB PRO 40 3HB PRO 40 57.095 33.201 2.395 1392 1HG PRO 40 2HG PRO 40 58.000 30.477 3.101 1393 2HG PRO 40 3HG PRO 40 57.170 31.652 4.102 1394 1HD PRO 40 2HD PRO 40 56.018 29.338 2.860 1395 2HD PRO 40 3HD PRO 40 55.168 30.575 3.764 1396 H LYS 41 HN LYS 41 55.710 29.415 0.142 1397 HA LYS 41 HA LYS 41 57.897 29.369 -1.747 1398 1HB LYS 41 2HB LYS 41 56.674 27.470 -0.133 1399 2HB LYS 41 3HB LYS 41 56.073 27.077 -1.731 1400 1HG LYS 41 2HG LYS 41 58.148 26.451 -2.511 1401 2HG LYS 41 3HG LYS 41 58.980 27.725 -1.643 1402 1HD LYS 41 2HD LYS 41 57.945 25.105 -0.464 1403 2HD LYS 41 3HD LYS 41 59.624 25.540 -0.716 1404 1HE LYS 41 2HE LYS 41 59.007 27.635 0.818 1405 2HE LYS 41 3HE LYS 41 57.678 26.617 1.337 1406 1HZ LYS 41 1HZ LYS 41 59.782 24.956 1.422 1407 2HZ LYS 41 2HZ LYS 41 60.453 26.367 1.899 1408 3HZ LYS 41 3HZ LYS 41 59.170 25.759 2.706 1409 H LYS 42 HN LYS 42 54.459 30.038 -1.640 1410 HA LYS 42 HA LYS 42 53.607 29.312 -4.118 1411 1HB LYS 42 2HB LYS 42 52.956 31.739 -2.435 1412 2HB LYS 42 3HB LYS 42 52.109 31.367 -3.922 1413 1HG LYS 42 2HG LYS 42 52.260 28.948 -2.342 1414 2HG LYS 42 3HG LYS 42 51.687 30.241 -1.307 1415 1HD LYS 42 2HD LYS 42 50.319 30.556 -3.799 1416 2HD LYS 42 3HD LYS 42 50.271 28.843 -3.432 1417 1HE LYS 42 2HE LYS 42 49.639 29.774 -0.971 1418 2HE LYS 42 3HE LYS 42 49.083 31.150 -1.902 1419 1HZ LYS 42 1HZ LYS 42 47.914 28.612 -1.658 1420 2HZ LYS 42 2HZ LYS 42 47.291 29.968 -2.321 1421 3HZ LYS 42 3HZ LYS 42 48.177 28.945 -3.234 1422 HA PRO 43 HA PRO 43 56.465 31.659 -6.509 1423 1HB PRO 43 2HB PRO 43 56.205 30.206 -8.809 1424 2HB PRO 43 3HB PRO 43 57.353 29.805 -7.547 1425 1HG PRO 43 2HG PRO 43 54.795 28.483 -8.212 1426 2HG PRO 43 3HG PRO 43 56.135 27.867 -7.266 1427 1HD PRO 43 2HD PRO 43 53.642 28.869 -6.262 1428 2HD PRO 43 3HD PRO 43 55.026 28.362 -5.314 1429 H ARG 44 HN ARG 44 56.344 32.536 -8.948 1430 HA ARG 44 HA ARG 44 53.592 33.418 -9.236 1431 1HB ARG 44 2HB ARG 44 55.493 35.091 -8.217 1432 2HB ARG 44 3HB ARG 44 55.774 35.371 -9.924 1433 1HG ARG 44 2HG ARG 44 53.441 36.025 -10.275 1434 2HG ARG 44 3HG ARG 44 53.006 35.537 -8.649 1435 1HD ARG 44 2HD ARG 44 55.236 37.440 -8.587 1436 2HD ARG 44 3HD ARG 44 53.883 38.105 -9.479 1437 HE ARG 44 HE ARG 44 53.949 37.472 -6.612 1438 1HH1 ARG 44 2HH2 ARG 44 51.895 38.096 -9.400 1439 2HH1 ARG 44 1HH2 ARG 44 50.529 38.572 -8.447 1440 1HH2 ARG 44 2HH1 ARG 44 52.146 38.100 -5.355 1441 2HH2 ARG 44 1HH1 ARG 44 50.672 38.573 -6.131 1442 H GLY 45 HN GLY 45 52.867 32.969 -11.295 1443 1HA GLY 45 1HA GLY 45 54.615 33.349 -13.572 1444 2HA GLY 45 2HA GLY 45 54.191 31.680 -13.248 1445 HA PRO 46 HA PRO 46 54.200 31.599 -15.289 1446 1HB PRO 46 2HB PRO 46 53.865 32.023 -17.968 1447 2HB PRO 46 3HB PRO 46 53.220 30.625 -17.131 1448 1HG PRO 46 2HG PRO 46 51.791 33.021 -18.109 1449 2HG PRO 46 3HG PRO 46 51.137 31.458 -17.666 1450 1HD PRO 46 2HD PRO 46 51.037 33.864 -16.109 1451 2HD PRO 46 3HD PRO 46 50.485 32.275 -15.619 1452 H ARG 47 HN ARG 47 56.261 32.177 -16.235 1453 HA ARG 47 HA ARG 47 56.593 34.759 -17.194 1454 1HB ARG 47 2HB ARG 47 56.223 34.934 -14.515 1455 2HB ARG 47 3HB ARG 47 57.931 34.547 -14.497 1456 1HG ARG 47 2HG ARG 47 58.538 36.522 -15.637 1457 2HG ARG 47 3HG ARG 47 56.959 36.711 -16.372 1458 1HD ARG 47 2HD ARG 47 57.269 36.903 -13.355 1459 2HD ARG 47 3HD ARG 47 57.634 38.286 -14.368 1460 HE ARG 47 HE ARG 47 55.025 37.025 -14.908 1461 1HH1 ARG 47 2HH2 ARG 47 56.764 39.514 -13.130 1462 2HH1 ARG 47 1HH2 ARG 47 55.353 40.477 -12.845 1463 1HH2 ARG 47 2HH1 ARG 47 53.162 38.295 -14.534 1464 2HH2 ARG 47 1HH1 ARG 47 53.290 39.779 -13.649 1465 H GLY 48 HN GLY 48 58.217 34.273 -18.638 1466 1HA GLY 48 1HA GLY 48 60.545 33.933 -18.957 1467 2HA GLY 48 2HA GLY 48 60.563 32.811 -17.611 1468 HA PRO 49 HA PRO 49 58.679 30.685 -21.438 1469 1HB PRO 49 2HB PRO 49 59.276 31.755 -23.880 1470 2HB PRO 49 3HB PRO 49 57.763 32.052 -23.047 1471 1HG PRO 49 2HG PRO 49 60.083 33.855 -23.375 1472 2HG PRO 49 3HG PRO 49 58.434 34.256 -22.934 1473 1HD PRO 49 2HD PRO 49 60.693 34.104 -21.172 1474 2HD PRO 49 3HD PRO 49 59.025 34.389 -20.717 1475 H ARG 50 HN ARG 50 59.521 28.876 -22.497 1476 HA ARG 50 HA ARG 50 62.381 28.830 -22.167 1477 1HB ARG 50 2HB ARG 50 60.183 26.856 -22.143 1478 2HB ARG 50 3HB ARG 50 61.548 26.297 -23.090 1479 1HG ARG 50 2HG ARG 50 62.907 26.076 -21.252 1480 2HG ARG 50 3HG ARG 50 62.328 27.558 -20.517 1481 1HD ARG 50 2HD ARG 50 61.108 26.293 -19.077 1482 2HD ARG 50 3HD ARG 50 60.100 25.812 -20.427 1483 HE ARG 50 HE ARG 50 62.207 24.094 -20.703 1484 1HH1 ARG 50 2HH2 ARG 50 60.272 24.980 -17.900 1485 2HH1 ARG 50 1HH2 ARG 50 60.473 23.448 -17.117 1486 1HH2 ARG 50 2HH1 ARG 50 62.472 22.073 -19.671 1487 2HH2 ARG 50 1HH1 ARG 50 61.733 21.783 -18.131 1488 HA PRO 51 HA PRO 51 62.749 29.320 -26.528 1489 1HB PRO 51 2HB PRO 51 65.476 29.448 -26.649 1490 2HB PRO 51 3HB PRO 51 64.465 30.838 -26.308 1491 1HG PRO 51 2HG PRO 51 66.131 29.258 -24.447 1492 2HG PRO 51 3HG PRO 51 65.468 30.865 -24.231 1493 1HD PRO 51 2HD PRO 51 64.490 28.433 -23.065 1494 2HD PRO 51 3HD PRO 51 63.760 30.022 -22.943 1495 H GLN 52 HN GLN 52 63.904 28.296 -28.444 1496 HA GLN 52 HA GLN 52 63.524 25.515 -28.071 1497 1HB GLN 52 2HB GLN 52 63.476 27.314 -30.237 1498 2HB GLN 52 3HB GLN 52 64.849 26.279 -30.578 1499 1HG GLN 52 2HG GLN 52 63.441 24.260 -30.323 1500 2HG GLN 52 3HG GLN 52 62.068 25.242 -29.852 1501 1HE2 GLN 52 1HE2 GLN 52 61.572 23.653 -31.832 1502 2HE2 GLN 52 2HE2 GLN 52 61.533 24.437 -33.376 1503 H THR 53 HN THR 53 65.220 23.872 -28.843 1504 HA THR 53 HA THR 53 67.966 24.743 -28.569 1505 HB THR 53 HB THR 53 67.192 24.430 -26.205 1506 HG1 THR 53 HG1 THR 53 69.290 23.699 -26.278 1507 1HG2 THR 53 1HG2 THR 53 66.100 22.537 -25.467 1508 2HG2 THR 53 2HG2 THR 53 65.647 22.334 -27.177 1509 3HG2 THR 53 3HG2 THR 53 67.060 21.472 -26.522 1510 H SER 54 HN SER 54 67.501 24.094 -30.902 1511 HA SER 54 HA SER 54 68.523 21.459 -31.173 1512 1HB SER 54 2HB SER 54 66.752 20.468 -32.434 1513 2HB SER 54 3HB SER 54 65.990 21.145 -31.009 1514 HG SER 54 HG SER 54 65.813 21.961 -33.725 1515 H LEU 55 HN LEU 55 69.658 21.241 -33.157 1516 HA LEU 55 HA LEU 55 69.254 23.331 -35.142 1517 1HB LEU 55 2HB LEU 55 71.766 22.873 -33.568 1518 2HB LEU 55 3HB LEU 55 71.847 23.469 -35.214 1519 HG LEU 55 HG LEU 55 69.944 24.961 -33.550 1520 1HD1 LEU 55 1HD1 LEU 55 71.310 25.862 -31.946 1521 2HD1 LEU 55 2HD1 LEU 55 71.930 24.195 -31.997 1522 3HD1 LEU 55 3HD1 LEU 55 72.802 25.496 -32.844 1523 1HD2 LEU 55 1HD2 LEU 55 71.517 26.839 -34.472 1524 2HD2 LEU 55 2HD2 LEU 55 72.131 25.537 -35.520 1525 3HD2 LEU 55 3HD2 LEU 55 70.406 25.977 -35.563 1526 H LEU 56 HN LEU 56 68.458 21.897 -36.662 1527 HA LEU 56 HA LEU 56 68.439 20.239 -38.124 1528 1HB LEU 56 2HB LEU 56 70.718 21.625 -38.510 1529 2HB LEU 56 3HB LEU 56 71.391 20.030 -38.239 1530 HG LEU 56 HG LEU 56 69.776 19.194 -40.041 1531 1HD1 LEU 56 1HD1 LEU 56 69.019 20.876 -41.676 1532 2HD1 LEU 56 2HD1 LEU 56 68.247 21.077 -40.084 1533 3HD1 LEU 56 3HD1 LEU 56 69.564 22.169 -40.581 1534 1HD2 LEU 56 1HD2 LEU 56 71.449 19.327 -41.553 1535 2HD2 LEU 56 2HD2 LEU 56 71.644 21.086 -41.356 1536 3HD2 LEU 56 3HD2 LEU 56 72.349 19.972 -40.160 Start of MODEL 9 1 1H5* G 276 1H5* G 276 67.841 30.423 -12.829 2 2H5* G 276 2H5* G 276 69.110 30.859 -11.684 3 H4* G 276 H4* G 276 67.023 31.148 -10.589 4 H3* G 276 H3* G 276 68.603 28.779 -9.652 5 H2* G 276 H2* G 276 66.946 28.273 -8.026 6 2HO* G 276 2HO* G 276 65.886 30.034 -7.323 7 H1* G 276 H1* G 276 64.829 28.401 -9.806 8 H8 G 276 H8 G 276 67.634 27.058 -11.786 9 H1 G 276 H1 G 276 64.999 22.618 -7.882 10 1H2 G 276 1H2 G 276 63.735 23.544 -6.541 11 2H2 G 276 2H2 G 276 63.434 25.267 -6.482 12 1H5* G 277 1H5* G 277 67.427 30.065 -5.926 13 2H5* G 277 2H5* G 277 68.926 30.422 -5.067 14 H4* G 277 H4* G 277 67.752 28.898 -3.715 15 H3* G 277 H3* G 277 69.967 27.524 -5.236 16 H2* G 277 H2* G 277 69.536 25.554 -4.004 17 2HO* G 277 2HO* G 277 69.228 26.962 -2.096 18 H1* G 277 H1* G 277 66.701 25.909 -4.235 19 H8 G 277 H8 G 277 68.522 26.285 -7.473 20 H1 G 277 H1 G 277 67.157 20.139 -5.976 21 1H2 G 277 1H2 G 277 66.477 20.038 -4.033 22 2H2 G 277 2H2 G 277 66.301 21.413 -2.967 23 1H5* C 278 1H5* C 278 70.881 27.315 -0.842 24 2H5* C 278 2H5* C 278 72.556 26.823 -0.594 25 H4* C 278 H4* C 278 70.736 25.250 0.232 26 H3* C 278 H3* C 278 73.043 24.366 -1.486 27 H2* C 278 H2* C 278 72.328 22.113 -1.263 28 2HO* C 278 2HO* C 278 70.084 22.708 0.277 29 H1* C 278 H1* C 278 69.644 22.731 -1.831 30 1H4 C 278 1H4 C 278 72.290 20.752 -7.327 31 2H4 C 278 2H4 C 278 72.584 22.430 -7.724 32 H5 C 278 H5 C 278 72.208 24.220 -6.231 33 H6 C 278 H6 C 278 71.447 24.847 -3.967 34 1H5* G 279 1H5* G 279 73.005 22.164 1.962 35 2H5* G 279 2H5* G 279 74.535 21.882 2.792 36 H4* G 279 H4* G 279 73.637 19.753 2.422 37 H3* G 279 H3* G 279 75.749 20.374 0.358 38 H2* G 279 H2* G 279 75.589 18.132 -0.404 39 2HO* G 279 2HO* G 279 73.824 17.861 1.858 40 H1* G 279 H1* G 279 72.740 18.211 -0.336 41 H8 G 279 H8 G 279 74.019 21.288 -1.934 42 H1 G 279 H1 G 279 73.987 16.211 -5.948 43 1H2 G 279 1H2 G 279 73.644 14.485 -4.872 44 2H2 G 279 2H2 G 279 73.401 14.422 -3.141 45 1H5* G 280 1H5* G 280 78.252 16.826 2.746 46 2H5* G 280 2H5* G 280 79.767 17.504 2.149 47 H4* G 280 H4* G 280 79.198 15.078 1.550 48 H3* G 280 H3* G 280 80.180 17.143 -0.400 49 H2* G 280 H2* G 280 80.218 15.510 -2.122 50 2HO* G 280 2HO* G 280 79.903 13.285 -1.453 51 H1* G 280 H1* G 280 77.657 14.565 -1.579 52 H8 G 280 H8 G 280 77.477 18.191 -0.986 53 H1 G 280 H1 G 280 77.475 16.717 -7.287 54 1H2 G 280 1H2 G 280 77.991 14.735 -7.531 55 2H2 G 280 2H2 G 280 78.369 13.637 -6.223 56 1H5* U 281 1H5* U 281 82.140 14.263 -1.196 57 2H5* U 281 2H5* U 281 83.871 14.116 -0.899 58 H4* U 281 H4* U 281 83.749 13.462 -3.087 59 H3* U 281 H3* U 281 84.217 16.445 -3.140 60 H2* U 281 H2* U 281 84.430 16.315 -5.490 61 2HO* U 281 2HO* U 281 85.659 14.316 -5.220 62 H1* U 281 H1* U 281 82.215 14.526 -5.711 63 H3 U 281 H3 U 281 81.000 18.241 -8.062 64 H5 U 281 H5 U 281 80.467 19.308 -4.047 65 H6 U 281 H6 U 281 81.564 17.200 -3.444 66 2HO* AP7 282 2HO* A 282 89.014 16.998 -9.225 67 H2* AP7 282 H2* A 282 87.486 18.594 -8.386 68 H3* AP7 282 H3* A 282 88.181 18.035 -6.191 69 H4* AP7 282 H4* A 282 88.298 15.139 -7.031 70 H1* AP7 282 H1* A 282 85.650 16.421 -8.489 71 H8 AP7 282 H8 A 282 85.648 18.433 -5.303 72 H2 AP7 282 H2 A 282 82.815 19.142 -11.032 73 H1 AP7 282 H1 A 282 81.701 20.736 -9.882 74 1H6 AP7 282 1H6 A 282 81.237 21.952 -7.972 75 2H6 AP7 282 2H6 A 282 82.094 21.645 -6.478 76 2H5* AP7 282 2H5* A 282 89.203 15.749 -4.826 77 1H5* AP7 282 1H5* A 282 87.843 14.631 -4.728 78 1H5* C 283 1H5* C 283 91.011 17.926 -9.426 79 2H5* C 283 2H5* C 283 92.036 19.358 -9.506 80 H4* C 283 H4* C 283 90.383 19.216 -11.339 81 H3* C 283 H3* C 283 90.324 21.574 -9.466 82 H2* C 283 H2* C 283 88.668 22.589 -10.833 83 2HO* C 283 2HO* C 283 88.262 21.564 -12.906 84 H1* C 283 H1* C 283 87.131 20.242 -11.002 85 1H4 C 283 1H4 C 283 84.585 23.749 -6.280 86 2H4 C 283 2H4 C 283 85.591 22.868 -5.151 87 H5 C 283 H5 C 283 87.259 21.327 -5.801 88 H6 C 283 H6 C 283 88.383 20.241 -7.713 89 1H5* U 284 1H5* U 284 90.274 22.970 -12.976 90 2H5* U 284 2H5* U 284 91.665 23.861 -13.594 91 H4* U 284 H4* U 284 89.945 25.215 -14.261 92 H3* U 284 H3* U 284 90.882 26.207 -11.582 93 H2* U 284 H2* U 284 89.309 27.983 -11.687 94 2HO* U 284 2HO* U 284 88.791 28.613 -13.709 95 H1* U 284 H1* U 284 87.182 26.327 -12.407 96 H3 U 284 H3 U 284 86.218 27.367 -8.105 97 H5 U 284 H5 U 284 89.313 24.563 -7.790 98 H6 U 284 H6 U 284 89.535 24.682 -10.228 99 1H5* A 285 1H5* A 285 90.823 30.058 -14.184 100 2H5* A 285 2H5* A 285 92.150 30.920 -13.406 101 H4* A 285 H4* A 285 89.883 32.051 -13.394 102 H3* A 285 H3* A 285 91.518 31.650 -10.897 103 H2* A 285 H2* A 285 89.939 32.943 -9.685 104 2HO* A 285 2HO* A 285 88.718 33.317 -12.267 105 H1* A 285 H1* A 285 87.733 31.585 -10.781 106 H8 A 285 H8 A 285 90.394 29.108 -10.069 107 1H6 A 285 1H6 A 285 88.322 28.953 -4.183 108 2H6 A 285 2H6 A 285 89.386 28.173 -5.333 109 H2 A 285 H2 A 285 86.344 32.344 -6.266 110 1H5* G 286 1H5* G 286 90.397 35.890 -10.947 111 2H5* G 286 2H5* G 286 91.837 36.752 -10.407 112 H4* G 286 H4* G 286 89.930 37.311 -9.021 113 H3* G 286 H3* G 286 92.134 35.751 -7.679 114 H2* G 286 H2* G 286 91.042 36.079 -5.599 115 2HO* G 286 2HO* G 286 90.438 38.231 -6.024 116 H1* G 286 H1* G 286 88.505 35.418 -6.679 117 H8 G 286 H8 G 286 90.969 32.991 -7.959 118 H1 G 286 H1 G 286 89.140 31.711 -1.884 119 1H2 G 286 1H2 G 286 88.097 33.319 -1.126 120 2H2 G 286 2H2 G 286 87.766 34.795 -2.004 121 1H5* U 287 1H5* U 287 91.936 39.493 -5.584 122 2H5* U 287 2H5* U 287 93.467 39.891 -4.804 123 H4* U 287 H4* U 287 91.622 39.505 -3.210 124 H3* U 287 H3* U 287 94.044 37.710 -3.090 125 H2* U 287 H2* U 287 93.197 36.785 -1.074 126 2HO* U 287 2HO* U 287 92.461 38.946 -0.451 127 H1* U 287 H1* U 287 90.574 36.561 -2.162 128 H3 U 287 H3 U 287 91.981 32.302 -1.252 129 H5 U 287 H5 U 287 93.781 33.281 -4.905 130 H6 U 287 H6 U 287 92.989 35.577 -4.568 131 1H5* U 288 1H5* U 288 94.023 39.476 0.669 132 2H5* U 288 2H5* U 288 95.639 39.909 1.225 133 H4* U 288 H4* U 288 94.709 38.357 2.775 134 H3* U 288 H3* U 288 96.881 37.190 1.041 135 H2* U 288 H2* U 288 96.783 35.192 2.290 136 2HO* U 288 2HO* U 288 95.117 36.817 3.986 137 H1* U 288 H1* U 288 93.907 35.296 2.401 138 H3 U 288 H3 U 288 94.902 31.298 0.431 139 H5 U 288 H5 U 288 95.485 34.146 -2.583 140 H6 U 288 H6 U 288 95.186 35.874 -0.871 141 1H5* G 289 1H5* G 289 98.325 36.658 4.569 142 2H5* G 289 2H5* G 289 100.028 36.967 4.908 143 H4* G 289 H4* G 289 99.800 34.661 5.140 144 H3* G 289 H3* G 289 100.898 35.274 2.392 145 H2* G 289 H2* G 289 101.233 32.961 2.074 146 2HO* G 289 2HO* G 289 100.734 31.687 4.190 147 H1* G 289 H1* G 289 98.728 32.335 3.350 148 H8 G 289 H8 G 289 98.857 34.909 0.571 149 H1 G 289 H1 G 289 97.577 28.878 -1.397 150 1H2 G 289 1H2 G 289 97.792 27.576 0.187 151 2H2 G 289 2H2 G 289 98.253 28.048 1.807 152 1H5* A 290 1H5* A 290 104.454 34.724 0.794 153 2H5* A 290 2H5* A 290 103.021 33.758 1.142 154 H4* A 290 H4* A 290 105.350 32.746 0.237 155 H3* A 290 H3* A 290 103.098 31.524 1.771 156 H2* A 290 H2* A 290 104.295 29.508 2.104 157 2HO* A 290 2HO* A 290 106.197 29.195 0.833 158 H1* A 290 H1* A 290 106.599 30.679 3.024 159 H8 A 290 H8 A 290 103.331 32.503 3.758 160 1H6 A 290 1H6 A 290 103.505 29.626 9.294 161 2H6 A 290 2H6 A 290 102.639 30.806 8.336 162 H2 A 290 H2 A 290 106.871 28.101 6.828 163 1H5* G 291 1H5* G 291 104.464 27.912 0.095 164 2H5* G 291 2H5* G 291 102.968 27.268 -0.580 165 H4* G 291 H4* G 291 103.970 25.860 1.201 166 H3* G 291 H3* G 291 101.173 26.893 1.401 167 H2* G 291 H2* G 291 100.858 25.836 3.504 168 2HO* G 291 2HO* G 291 102.118 23.999 2.790 169 H1* G 291 H1* G 291 103.234 26.818 4.586 170 H8 G 291 H8 G 291 101.110 28.958 2.234 171 H1 G 291 H1 G 291 100.190 30.043 8.547 172 1H2 G 291 1H2 G 291 101.297 28.693 9.646 173 2H2 G 291 2H2 G 291 102.321 27.452 8.959 174 1H5* A 292 1H5* A 292 99.335 21.971 -1.221 175 2H5* A 292 2H5* A 292 98.591 23.510 -0.784 176 H4* A 292 H4* A 292 99.649 21.344 0.932 177 H3* A 292 H3* A 292 97.360 23.303 1.053 178 H2* A 292 H2* A 292 97.168 22.869 3.380 179 2HO* A 292 2HO* A 292 97.650 20.595 2.956 180 H1* A 292 H1* A 292 99.979 23.072 3.754 181 H8 A 292 H8 A 292 98.115 25.621 1.628 182 1H6 A 292 1H6 A 292 98.021 29.169 6.761 183 2H6 A 292 2H6 A 292 97.630 29.131 5.057 184 H2 A 292 H2 A 292 99.739 25.214 7.836 185 1H5* A 293 1H5* A 293 95.474 21.142 4.141 186 2H5* A 293 2H5* A 293 93.837 21.371 3.526 187 H4* A 293 H4* A 293 94.575 22.691 5.604 188 H3* A 293 H3* A 293 93.095 23.834 3.254 189 H2* A 293 H2* A 293 92.988 25.946 4.328 190 2HO* A 293 2HO* A 293 93.182 25.949 6.533 191 H1* A 293 H1* A 293 95.683 25.999 4.998 192 H8 A 293 H8 A 293 95.592 24.336 1.722 193 1H6 A 293 1H6 A 293 95.134 29.977 -0.908 194 2H6 A 293 2H6 A 293 95.416 28.281 -1.231 195 H2 A 293 H2 A 293 94.508 30.427 3.468 196 1H5* A 294 1H5* A 294 91.279 25.586 7.096 197 2H5* A 294 2H5* A 294 89.586 25.217 6.768 198 H4* A 294 H4* A 294 89.827 27.537 7.385 199 H3* A 294 H3* A 294 88.988 26.956 4.566 200 H2* A 294 H2* A 294 88.792 29.277 4.109 201 2HO* A 294 2HO* A 294 89.055 30.711 6.000 202 H1* A 294 H1* A 294 91.291 29.879 5.265 203 H8 A 294 H8 A 294 91.478 26.725 3.285 204 1H6 A 294 1H6 A 294 92.585 30.288 -1.719 205 2H6 A 294 2H6 A 294 92.562 28.642 -1.128 206 H2 A 294 H2 A 294 91.394 32.941 1.642 207 1H5* C 295 1H5* C 295 86.539 29.529 6.300 208 2H5* C 295 2H5* C 295 84.795 29.563 6.041 209 H4* C 295 H4* C 295 85.584 31.642 5.297 210 H3* C 295 H3* C 295 85.056 29.793 2.972 211 H2* C 295 H2* C 295 85.471 31.599 1.495 212 2HO* C 295 2HO* C 295 86.018 33.652 3.034 213 H1* C 295 H1* C 295 87.775 32.421 2.939 214 1H4 C 295 1H4 C 295 90.068 29.192 -2.069 215 2H4 C 295 2H4 C 295 89.728 27.689 -1.243 216 H5 C 295 H5 C 295 88.601 27.552 0.829 217 H6 C 295 H6 C 295 87.516 28.839 2.636 218 1H5* U 296 1H5* U 296 82.165 33.121 2.563 219 2H5* U 296 2H5* U 296 80.691 32.530 1.798 220 H4* U 296 H4* U 296 81.670 34.332 0.505 221 H3* U 296 H3* U 296 81.685 31.604 -0.779 222 H2* U 296 H2* U 296 82.457 32.596 -2.791 223 2HO* U 296 2HO* U 296 81.808 34.655 -3.075 224 H1* U 296 H1* U 296 84.402 34.149 -1.457 225 H3 U 296 H3 U 296 86.671 31.114 -4.023 226 H5 U 296 H5 U 296 85.606 29.020 -0.555 227 H6 U 296 H6 U 296 84.229 30.950 0.068 228 1H5* A 297 1H5* A 297 79.705 34.250 -3.099 229 2H5* A 297 2H5* A 297 78.297 33.749 -4.034 230 H4* A 297 H4* A 297 79.904 34.550 -5.576 231 H3* A 297 H3* A 297 79.653 31.553 -5.571 232 H2* A 297 H2* A 297 81.168 31.430 -7.401 233 2HO* A 297 2HO* A 297 80.971 34.300 -7.244 234 H1* A 297 H1* A 297 82.998 33.195 -6.161 235 H8 A 297 H8 A 297 81.793 30.882 -3.564 236 1H6 A 297 1H6 A 297 85.962 26.722 -5.631 237 2H6 A 297 2H6 A 297 84.846 27.086 -4.333 238 H2 A 297 H2 A 297 85.729 30.037 -8.579 239 1H5* G 298 1H5* G 298 79.781 32.874 -9.699 240 2H5* G 298 2H5* G 298 78.376 32.124 -10.457 241 H4* G 298 H4* G 298 80.294 31.674 -11.805 242 H3* G 298 H3* G 298 79.184 29.310 -10.328 243 H2* G 298 H2* G 298 80.787 27.885 -11.355 244 2HO* G 298 2HO* G 298 81.438 30.312 -12.767 245 H1* G 298 H1* G 298 82.913 29.667 -10.781 246 H8 G 298 H8 G 298 80.817 29.501 -7.768 247 H1 G 298 H1 G 298 84.577 24.276 -8.436 248 1H2 G 298 1H2 G 298 85.390 24.250 -10.331 249 2H2 G 298 2H2 G 298 85.097 25.464 -11.556 250 1H5* C 299 1H5* C 299 79.790 28.086 -13.676 251 2H5* C 299 2H5* C 299 78.610 27.262 -14.694 252 H4* C 299 H4* C 299 80.452 25.795 -14.404 253 H3* C 299 H3* C 299 77.996 24.999 -12.871 254 H2* C 299 H2* C 299 79.078 23.059 -12.075 255 2HO* C 299 2HO* C 299 81.097 23.874 -13.962 256 H1* C 299 H1* C 299 81.523 24.505 -11.607 257 1H4 C 299 1H4 C 299 78.985 23.318 -5.848 258 2H4 C 299 2H4 C 299 78.062 24.797 -5.997 259 H5 C 299 H5 C 299 77.997 26.115 -7.955 260 H6 C 299 H6 C 299 78.809 26.342 -10.276 261 1H5* U 300 1H5* U 300 79.899 22.246 -15.365 262 2H5* U 300 2H5* U 300 78.921 21.226 -16.419 263 H4* U 300 H4* U 300 80.488 19.765 -15.516 264 H3* U 300 H3* U 300 77.881 19.548 -14.033 265 H2* U 300 H2* U 300 78.775 17.803 -12.704 266 2HO* U 300 2HO* U 300 81.014 18.059 -14.499 267 H1* U 300 H1* U 300 81.154 19.124 -12.135 268 H3 U 300 H3 U 300 79.043 19.567 -8.178 269 H5 U 300 H5 U 300 76.885 22.112 -10.709 270 H6 U 300 H6 U 300 78.248 21.264 -12.562 271 1H5* C 301 1H5* C 301 78.382 15.698 -16.046 272 2H5* C 301 2H5* C 301 76.908 14.731 -16.062 273 H4* C 301 H4* C 301 78.594 13.871 -14.495 274 H3* C 301 H3* C 301 75.923 14.760 -13.455 275 H2* C 301 H2* C 301 76.520 14.114 -11.259 276 2HO* C 301 2HO* C 301 77.609 12.225 -12.225 277 H1* C 301 H1* C 301 79.139 15.268 -11.554 278 1H4 C 301 1H4 C 301 75.922 19.218 -7.686 279 2H4 C 301 2H4 C 301 75.226 19.986 -9.095 280 H5 C 301 H5 C 301 75.536 19.209 -11.304 281 H6 C 301 H6 C 301 76.600 17.487 -12.718 282 1H5* U 302 1H5* U 302 76.114 10.987 -12.156 283 2H5* U 302 2H5* U 302 74.669 9.988 -12.312 284 H4* U 302 H4* U 302 74.948 10.171 -10.021 285 H3* U 302 H3* U 302 72.945 12.228 -10.931 286 H2* U 302 H2* U 302 72.543 12.792 -8.655 287 2HO* U 302 2HO* U 302 72.677 10.893 -7.576 288 H1* U 302 H1* U 302 75.306 12.926 -8.072 289 H3 U 302 H3 U 302 74.423 17.311 -7.727 290 H5 U 302 H5 U 302 73.552 16.507 -11.743 291 H6 U 302 H6 U 302 73.989 14.143 -11.262 292 1H5* G 303 1H5* G 303 71.172 9.856 -8.271 293 2H5* G 303 2H5* G 303 69.463 9.430 -8.355 294 H4* G 303 H4* G 303 69.611 10.723 -6.436 295 H3* G 303 H3* G 303 68.724 12.502 -8.712 296 H2* G 303 H2* G 303 68.373 14.230 -7.149 297 2HO* G 303 2HO* G 303 67.354 12.919 -5.609 298 H1* G 303 H1* G 303 70.760 13.467 -5.693 299 H8 G 303 H8 G 303 71.224 14.090 -9.352 300 H1 G 303 H1 G 303 71.628 19.443 -5.738 301 1H2 G 303 1H2 G 303 71.024 19.020 -3.811 302 2H2 G 303 2H2 G 303 70.487 17.450 -3.258 303 1H5* U 304 1H5* U 304 65.885 11.590 -5.859 304 2H5* U 304 2H5* U 304 64.127 11.642 -5.987 305 H4* U 304 H4* U 304 64.791 13.284 -4.401 306 H3* U 304 H3* U 304 63.884 14.440 -7.031 307 H2* U 304 H2* U 304 64.050 16.618 -6.107 308 2HO* U 304 2HO* U 304 64.022 16.788 -3.877 309 H1* U 304 H1* U 304 66.578 16.028 -4.925 310 H3 U 304 H3 U 304 67.330 19.396 -7.924 311 H5 U 304 H5 U 304 67.130 15.916 -10.244 312 H6 U 304 H6 U 304 66.387 14.732 -8.228 313 1H5* A 305 1H5* A 305 60.574 13.538 -3.702 314 2H5* A 305 2H5* A 305 58.905 13.791 -4.211 315 H4* A 305 H4* A 305 59.869 15.775 -3.143 316 H3* A 305 H3* A 305 59.102 16.028 -6.057 317 H2* A 305 H2* A 305 59.506 18.330 -5.907 318 2HO* A 305 2HO* A 305 58.505 18.911 -4.051 319 H1* A 305 H1* A 305 61.701 17.871 -4.033 320 H8 A 305 H8 A 305 61.719 16.352 -7.497 321 1H6 A 305 1H6 A 305 65.190 21.254 -9.189 322 2H6 A 305 2H6 A 305 64.551 19.717 -9.727 323 H2 A 305 H2 A 305 63.806 21.905 -5.018 324 1H5* U 306 1H5* U 306 54.707 16.619 -3.154 325 2H5* U 306 2H5* U 306 53.991 17.730 -4.322 326 H4* U 306 H4* U 306 53.393 18.124 -1.910 327 H3* U 306 H3* U 306 54.531 20.291 -3.658 328 H2* U 306 H2* U 306 54.412 21.824 -1.908 329 2HO* U 306 2HO* U 306 52.717 19.832 -0.698 330 H1* U 306 H1* U 306 54.922 19.680 0.046 331 H3 U 306 H3 U 306 58.689 21.521 1.591 332 H5 U 306 H5 U 306 58.446 23.104 -2.279 333 H6 U 306 H6 U 306 56.441 21.732 -2.606 334 1H5* C 307 1H5* C 307 50.456 20.420 -1.107 335 2H5* C 307 2H5* C 307 49.481 20.849 -2.511 336 H4* C 307 H4* C 307 49.109 21.736 0.072 337 H3* C 307 H3* C 307 48.023 22.541 -2.586 338 H2* C 307 H2* C 307 47.046 24.519 -1.689 339 2HO* C 307 2HO* C 307 46.639 24.476 0.461 340 H1* C 307 H1* C 307 49.399 25.347 -0.451 341 1H4 C 307 1H4 C 307 49.311 28.038 -6.279 342 2H4 C 307 2H4 C 307 50.383 26.762 -6.811 343 H5 C 307 H5 C 307 50.974 24.901 -5.483 344 H6 C 307 H6 C 307 50.677 23.795 -3.295 345 1H5* U 308 1H5* U 308 43.085 19.759 -1.952 346 2H5* U 308 2H5* U 308 43.260 20.948 -0.661 347 H4* U 308 H4* U 308 42.780 18.229 -0.378 348 H3* U 308 H3* U 308 43.549 20.412 1.538 349 H2* U 308 H2* U 308 44.066 18.883 3.178 350 2HO* U 308 2HO* U 308 41.876 18.087 2.933 351 H1* U 308 H1* U 308 44.461 16.791 1.069 352 H3 U 308 H3 U 308 48.462 15.433 2.534 353 H5 U 308 H5 U 308 48.105 19.224 4.279 354 H6 U 308 H6 U 308 45.983 19.469 3.076 355 1H5* G 309 1H5* G 309 41.487 19.096 5.320 356 2H5* G 309 2H5* G 309 40.009 19.714 4.585 357 H4* G 309 H4* G 309 40.126 20.852 6.600 358 H3* G 309 H3* G 309 41.136 22.553 4.357 359 H2* G 309 H2* G 309 41.601 24.346 5.849 360 2HO* G 309 2HO* G 309 39.796 24.012 7.180 361 H1* G 309 H1* G 309 42.963 22.660 7.656 362 H8 G 309 H8 G 309 43.161 22.856 3.820 363 H1 G 309 H1 G 309 48.386 24.949 7.015 364 1H2 G 309 1H2 G 309 48.067 24.775 9.045 365 2H2 G 309 2H2 G 309 46.603 24.154 9.773 366 1H5* G 310 1H5* G 310 41.961 24.623 3.842 367 2H5* G 310 2H5* G 310 40.849 25.755 4.612 368 H4* G 310 H4* G 310 42.286 26.319 2.409 369 H3* G 310 H3* G 310 39.596 27.401 3.258 370 H2* G 310 H2* G 310 39.663 28.859 1.400 371 2HO* G 310 2HO* G 310 41.706 29.565 1.180 372 H1* G 310 H1* G 310 40.716 26.799 -0.299 373 H8 G 310 H8 G 310 37.810 25.422 1.447 374 H1 G 310 H1 G 310 36.092 29.360 -3.391 375 1H2 G 310 1H2 G 310 37.739 30.423 -4.034 376 2H2 G 310 2H2 G 310 39.346 30.268 -3.362 377 1H5* C 311 1H5* C 311 42.336 30.481 3.094 378 2H5* C 311 2H5* C 311 42.374 31.694 4.374 379 H4* C 311 H4* C 311 42.108 32.933 2.423 380 H3* C 311 H3* C 311 39.433 32.558 3.760 381 H2* C 311 H2* C 311 38.473 34.030 2.158 382 2HO* C 311 2HO* C 311 39.924 35.553 1.624 383 H1* C 311 H1* C 311 39.778 32.721 0.009 384 1H4 C 311 1H4 C 311 33.806 30.431 0.062 385 2H4 C 311 2H4 C 311 34.310 29.226 1.226 386 H5 C 311 H5 C 311 36.452 29.174 2.221 387 H6 C 311 H6 C 311 38.658 30.277 2.346 388 1H5* G 312 1H5* G 312 39.808 37.541 3.773 389 2H5* G 312 2H5* G 312 38.272 37.672 4.629 390 H4* G 312 H4* G 312 38.700 38.445 2.058 391 H3* G 312 H3* G 312 36.214 37.757 3.575 392 H2* G 312 H2* G 312 34.895 37.947 1.605 393 2HO* G 312 2HO* G 312 36.486 39.707 0.990 394 H1* G 312 H1* G 312 36.479 36.277 0.094 395 H8 G 312 H8 G 312 36.949 34.631 3.253 396 H1 G 312 H1 G 312 30.865 33.895 1.173 397 1H2 G 312 1H2 G 312 30.492 35.232 -0.351 398 2H2 G 312 2H2 G 312 31.655 36.382 -0.974 399 1H5* G 313 1H5* G 313 34.636 40.017 0.445 400 2H5* G 313 2H5* G 313 34.204 41.507 1.283 401 H4* G 313 H4* G 313 32.303 40.884 0.050 402 H3* G 313 H3* G 313 32.019 40.245 2.976 403 H2* G 313 H2* G 313 29.791 39.527 2.605 404 2HO* G 313 2HO* G 313 29.532 39.858 -0.048 405 H1* G 313 H1* G 313 30.423 37.946 0.403 406 H8 G 313 H8 G 313 33.119 37.916 3.034 407 H1 G 313 H1 G 313 28.436 33.552 3.988 408 1H2 G 313 1H2 G 313 26.901 33.885 2.653 409 2H2 G 313 2H2 G 313 26.885 35.159 1.453 410 1H5* A 314 1H5* A 314 28.955 42.381 1.179 411 2H5* A 314 2H5* A 314 27.855 43.358 2.150 412 H4* A 314 H4* A 314 26.664 41.597 0.970 413 H3* A 314 H3* A 314 26.716 41.473 3.973 414 H2* A 314 H2* A 314 25.255 39.603 3.925 415 2HO* A 314 2HO* A 314 24.952 39.223 1.277 416 H1* A 314 H1* A 314 26.719 38.216 2.018 417 H8 A 314 H8 A 314 28.883 40.246 4.351 418 1H6 A 314 1H6 A 314 29.079 35.165 7.969 419 2H6 A 314 2H6 A 314 29.732 36.772 7.746 420 H2 A 314 H2 A 314 26.161 34.431 4.699 421 1H5* C 315 1H5* C 315 23.211 39.621 3.275 422 2H5* C 315 2H5* C 315 22.005 40.646 4.056 423 H4* C 315 H4* C 315 22.149 38.221 4.810 424 H3* C 315 H3* C 315 21.362 40.419 6.255 425 H2* C 315 H2* C 315 23.363 40.731 7.456 426 2HO* C 315 2HO* C 315 21.486 40.121 8.757 427 H1* C 315 H1* C 315 23.775 37.753 7.802 428 1H4 C 315 1H4 C 315 29.863 39.437 8.485 429 2H4 C 315 2H4 C 315 29.597 40.916 7.589 430 H5 C 315 H5 C 315 27.521 41.525 6.643 431 H6 C 315 H6 C 315 25.164 40.859 6.321 432 1H5* C 316 1H5* C 316 18.126 37.807 4.638 433 2H5* C 316 2H5* C 316 16.876 37.201 5.724 434 H4* C 316 H4* C 316 17.376 35.448 4.226 435 H3* C 316 H3* C 316 18.633 34.991 6.934 436 H2* C 316 H2* C 316 19.244 32.817 6.222 437 2HO* C 316 2HO* C 316 17.143 32.649 5.139 438 H1* C 316 H1* C 316 20.111 33.760 3.678 439 1H4 C 316 1H4 C 316 25.487 32.867 7.006 440 2H4 C 316 2H4 C 316 25.227 34.395 7.815 441 H5 C 316 H5 C 316 23.291 35.719 7.535 442 H6 C 316 H6 C 316 21.107 35.904 6.397 443 1H5* C 317 1H5* C 317 15.238 32.107 6.553 444 2H5* C 317 2H5* C 317 14.580 31.667 8.129 445 H4* C 317 H4* C 317 15.348 29.686 7.029 446 H3* C 317 H3* C 317 16.968 30.561 9.401 447 H2* C 317 H2* C 317 18.351 28.650 9.193 448 2HO* C 317 2HO* C 317 16.187 27.986 7.465 449 H1* C 317 H1* C 317 18.615 28.963 6.388 450 1H4 C 317 1H4 C 317 24.009 31.409 8.762 451 2H4 C 317 2H4 C 317 23.150 32.871 9.193 452 H5 C 317 H5 C 317 20.818 33.149 8.948 453 H6 C 317 H6 C 317 18.714 32.080 8.221 454 1H5* G 318 1H5* G 318 16.048 26.754 9.929 455 2H5* G 318 2H5* G 318 15.106 26.292 11.346 456 H4* G 318 H4* G 318 16.847 24.793 11.420 457 H3* G 318 H3* G 318 17.575 27.139 13.160 458 H2* G 318 H2* G 318 19.560 26.013 13.812 459 2HO* G 318 2HO* G 318 18.336 23.985 13.829 460 H1* G 318 H1* G 318 20.233 25.303 11.179 461 H8 G 318 H8 G 318 18.777 28.764 11.540 462 H1 G 318 H1 G 318 25.192 28.480 12.345 463 1H2 G 318 1H2 G 318 25.792 26.508 12.405 464 2H2 G 318 2H2 G 318 24.717 25.136 12.259 465 1H5* U 319 1H5* U 319 17.775 24.794 15.555 466 2H5* U 319 2H5* U 319 17.350 24.727 17.265 467 H4* U 319 H4* U 319 19.267 26.432 15.863 468 H3* U 319 H3* U 319 18.893 25.406 18.668 469 H2* U 319 H2* U 319 20.483 27.015 19.435 470 2HO* U 319 2HO* U 319 21.893 27.720 17.922 471 H1* U 319 H1* U 319 19.177 29.107 18.074 472 H3 U 319 H3 U 319 17.871 30.414 22.145 473 H5 U 319 H5 U 319 16.342 26.521 21.921 474 H6 U 319 H6 U 319 17.428 26.328 19.730 475 1H5* G 320 1H5* G 320 21.431 24.768 15.502 476 2H5* G 320 2H5* G 320 20.946 23.801 14.110 477 H4* G 320 H4* G 320 22.543 22.005 15.064 478 H3* G 320 H3* G 320 23.141 24.231 16.905 479 H2* G 320 H2* G 320 25.484 24.159 16.572 480 2HO* G 320 2HO* G 320 25.188 21.758 16.380 481 H1* G 320 H1* G 320 25.419 24.269 13.850 482 H8 G 320 H8 G 320 22.366 26.110 14.518 483 H1 G 320 H1 G 320 27.600 29.550 16.147 484 1H2 G 320 1H2 G 320 29.250 28.314 16.191 485 2H2 G 320 2H2 G 320 29.221 26.601 15.838 486 1H5* G 321 1H5* G 321 26.464 21.190 17.796 487 2H5* G 321 2H5* G 321 26.338 21.162 19.554 488 H4* G 321 H4* G 321 28.610 21.671 18.768 489 H3* G 321 H3* G 321 27.134 23.659 20.455 490 H2* G 321 H2* G 321 29.012 25.112 20.457 491 2HO* G 321 2HO* G 321 30.408 23.195 20.566 492 H1* G 321 H1* G 321 29.373 24.804 17.649 493 H8 G 321 H8 G 321 25.808 25.377 18.097 494 H1 G 321 H1 G 321 29.218 30.817 18.908 495 1H2 G 321 1H2 G 321 31.219 30.355 19.093 496 2H2 G 321 2H2 G 321 31.875 28.734 19.038 497 1H5* U 322 1H5* U 322 30.357 22.392 23.294 498 2H5* U 322 2H5* U 322 29.803 22.757 24.928 499 H4* U 322 H4* U 322 31.657 24.206 24.104 500 H3* U 322 H3* U 322 29.062 25.379 25.058 501 H2* U 322 H2* U 322 29.891 27.565 24.725 502 2HO* U 322 2HO* U 322 32.348 26.136 24.252 503 H1* U 322 H1* U 322 31.085 26.825 22.216 504 H3 U 322 H3 U 322 28.198 30.153 21.095 505 H5 U 322 H5 U 322 25.726 26.863 21.874 506 H6 U 322 H6 U 322 27.718 25.682 22.680 507 1H5* G 323 1H5* G 323 31.778 26.884 28.418 508 2H5* G 323 2H5* G 323 30.839 26.484 29.856 509 H4* G 323 H4* G 323 31.226 28.803 29.950 510 H3* G 323 H3* G 323 28.423 28.116 29.128 511 H2* G 323 H2* G 323 27.851 30.430 29.086 512 2HO* G 323 2HO* G 323 29.298 30.776 30.929 513 H1* G 323 H1* G 323 30.057 31.107 27.507 514 H8 G 323 H8 G 323 28.797 27.826 26.332 515 H1 G 323 H1 G 323 25.306 32.808 24.124 516 1H2 G 323 1H2 G 323 25.844 34.525 25.129 517 2H2 G 323 2H2 G 323 27.061 34.604 26.385 518 1H5* G 324 1H5* G 324 25.015 29.333 31.802 519 2H5* G 324 2H5* G 324 24.588 28.608 30.252 520 H4* G 324 H4* G 324 25.629 31.084 29.548 521 H3* G 324 H3* G 324 24.501 31.314 32.261 522 H2* G 324 H2* G 324 22.935 32.987 31.727 523 2HO* G 324 2HO* G 324 24.363 32.963 29.225 524 H1* G 324 H1* G 324 21.823 31.817 29.565 525 H8 G 324 H8 G 324 22.794 28.712 31.071 526 H1 G 324 H1 G 324 18.189 31.599 34.585 527 1H2 G 324 1H2 G 324 18.007 33.568 33.997 528 2H2 G 324 2H2 G 324 18.960 34.323 32.740 529 1H5* A 325 1H5* A 325 25.160 35.092 31.557 530 2H5* A 325 2H5* A 325 26.313 35.918 32.605 531 H4* A 325 H4* A 325 24.389 37.176 32.850 532 H3* A 325 H3* A 325 24.663 35.244 35.119 533 H2* A 325 H2* A 325 22.627 35.971 36.075 534 2HO* A 325 2HO* A 325 22.030 37.854 34.123 535 H1* A 325 H1* A 325 21.151 35.849 33.749 536 H8 A 325 H8 A 325 23.643 33.123 33.480 537 1H6 A 325 1H6 A 325 19.820 29.626 36.960 538 2H6 A 325 2H6 A 325 21.256 29.592 35.961 539 H2 A 325 H2 A 325 18.333 33.812 37.041 540 1H5* A 326 1H5* A 326 25.661 38.762 38.069 541 2H5* A 326 2H5* A 326 26.018 37.655 39.394 542 H4* A 326 H4* A 326 23.746 38.976 39.277 543 H3* A 326 H3* A 326 24.293 36.232 40.312 544 H2* A 326 H2* A 326 21.979 35.846 40.739 545 2HO* A 326 2HO* A 326 21.761 38.146 41.292 546 H1* A 326 H1* A 326 21.186 36.558 38.181 547 H8 A 326 H8 A 326 24.251 34.989 37.246 548 1H6 A 326 1H6 A 326 21.791 29.397 38.520 549 2H6 A 326 2H6 A 326 23.121 30.214 37.731 550 H2 A 326 H2 A 326 19.161 32.509 40.294 551 1H5* C 327 1H5* C 327 21.789 37.859 43.295 552 2H5* C 327 2H5* C 327 22.415 37.472 44.897 553 H4* C 327 H4* C 327 20.148 36.627 44.579 554 H3* C 327 H3* C 327 22.363 34.655 45.032 555 H2* C 327 H2* C 327 20.789 32.867 45.049 556 2HO* C 327 2HO* C 327 18.500 33.534 44.919 557 H1* C 327 H1* C 327 19.594 33.632 42.665 558 1H4 C 327 1H4 C 327 24.337 29.578 41.148 559 2H4 C 327 2H4 C 327 25.306 30.975 40.734 560 H5 C 327 H5 C 327 24.637 33.204 41.137 561 H6 C 327 H6 C 327 22.860 34.657 42.046 562 1H5* U 328 1H5* U 328 19.386 33.596 47.764 563 2H5* U 328 2H5* U 328 20.048 33.459 49.393 564 H4* U 328 H4* U 328 18.827 31.459 48.828 565 H3* U 328 H3* U 328 21.810 31.152 49.092 566 H2* U 328 H2* U 328 21.577 28.806 48.829 567 2HO* U 328 2HO* U 328 18.798 28.909 48.503 568 H1* U 328 H1* U 328 19.888 29.022 46.610 569 H3 U 328 H3 U 328 24.142 27.460 45.523 570 H5 U 328 H5 U 328 24.139 31.593 44.848 571 H6 U 328 H6 U 328 21.981 31.681 46.009 572 1H5* G 329 1H5* G 329 21.630 28.082 52.647 573 2H5* G 329 2H5* G 329 23.171 28.783 53.143 574 H4* G 329 H4* G 329 22.994 26.336 52.162 575 H3* G 329 H3* G 329 25.203 28.342 51.800 576 H2* G 329 H2* G 329 26.422 26.775 50.506 577 2HO* G 329 2HO* G 329 25.832 24.600 50.682 578 H1* G 329 H1* G 329 24.071 26.035 49.047 579 H8 G 329 H8 G 329 24.159 29.670 49.015 580 H1 G 329 H1 G 329 28.549 27.145 44.984 581 1H2 G 329 1H2 G 329 28.767 25.133 45.377 582 2H2 G 329 2H2 G 329 27.892 24.259 46.614 583 1H5* U 330 1H5* U 330 28.427 29.076 53.648 584 2H5* U 330 2H5* U 330 28.040 28.087 52.240 585 H4* U 330 H4* U 330 30.489 28.250 53.368 586 H3* U 330 H3* U 330 29.200 26.181 51.648 587 H2* U 330 H2* U 330 30.993 24.663 51.955 588 2HO* U 330 2HO* U 330 32.134 26.913 53.346 589 H1* U 330 H1* U 330 31.055 24.956 54.730 590 H3 U 330 H3 U 330 29.023 20.983 54.896 591 H5 U 330 H5 U 330 26.392 23.228 52.533 592 H6 U 330 H6 U 330 27.984 25.085 52.700 593 1H5* G 331 1H5* G 331 32.975 25.637 48.950 594 2H5* G 331 2H5* G 331 31.934 25.864 47.545 595 H4* G 331 H4* G 331 33.099 23.592 47.882 596 H3* G 331 H3* G 331 30.272 24.049 47.041 597 H2* G 331 H2* G 331 29.804 21.725 47.022 598 2HO* G 331 2HO* G 331 32.632 21.587 47.542 599 H1* G 331 H1* G 331 30.929 21.272 49.544 600 H8 G 331 H8 G 331 29.043 24.528 49.236 601 H1 G 331 H1 G 331 25.381 19.476 50.956 602 1H2 G 331 1H2 G 331 26.487 17.741 50.808 603 2H2 G 331 2H2 G 331 28.158 17.668 50.294 604 1H5* A 332 1H5* A 332 32.145 22.600 42.923 605 2H5* A 332 2H5* A 332 30.749 22.664 41.847 606 H4* A 332 H4* A 332 31.486 20.392 42.819 607 H3* A 332 H3* A 332 28.684 21.408 42.573 608 H2* A 332 H2* A 332 27.811 19.449 43.586 609 2HO* A 332 2HO* A 332 30.210 18.209 44.121 610 H1* A 332 H1* A 332 29.656 19.514 45.707 611 H8 A 332 H8 A 332 28.404 22.930 44.804 612 1H6 A 332 1H6 A 332 23.719 21.897 48.795 613 2H6 A 332 2H6 A 332 24.489 23.110 47.797 614 H2 A 332 H2 A 332 25.973 18.102 48.286 615 1H5* A 333 1H5* A 333 26.987 18.057 42.435 616 2H5* A 333 2H5* A 333 26.354 17.975 40.792 617 H4* A 333 H4* A 333 24.475 17.910 42.191 618 H3* A 333 H3* A 333 24.872 20.602 40.932 619 H2* A 333 H2* A 333 22.893 21.415 41.973 620 2HO* A 333 2HO* A 333 21.416 19.895 42.553 621 H1* A 333 H1* A 333 23.593 20.563 44.503 622 H8 A 333 H8 A 333 26.708 21.486 42.655 623 1H6 A 333 1H6 A 333 25.704 27.353 44.530 624 2H6 A 333 2H6 A 333 26.859 26.290 43.757 625 H2 A 333 H2 A 333 22.115 24.937 45.541 626 1H5* G 334 1H5* G 334 20.083 19.456 40.607 627 2H5* G 334 2H5* G 334 19.707 20.868 39.618 628 H4* G 334 H4* G 334 18.998 20.524 42.235 629 H3* G 334 H3* G 334 19.188 22.940 40.475 630 H2* G 334 H2* G 334 18.699 24.370 42.313 631 2HO* G 334 2HO* G 334 18.388 21.844 43.662 632 H1* G 334 H1* G 334 20.631 23.299 43.962 633 H8 G 334 H8 G 334 22.415 22.916 40.876 634 H1 G 334 H1 G 334 21.789 29.180 42.379 635 1H2 G 334 1H2 G 334 20.361 29.395 43.852 636 2H2 G 334 2H2 G 334 19.468 28.076 44.573 637 1H5* U 335 1H5* U 335 15.900 23.483 42.935 638 2H5* U 335 2H5* U 335 14.500 24.082 42.047 639 H4* U 335 H4* U 335 15.093 25.526 43.933 640 H3* U 335 H3* U 335 15.141 26.609 41.150 641 H2* U 335 H2* U 335 15.835 28.747 41.909 642 2HO* U 335 2HO* U 335 15.248 29.228 43.955 643 H1* U 335 H1* U 335 17.880 27.715 43.525 644 H3 U 335 H3 U 335 19.437 29.996 39.758 645 H5 U 335 H5 U 335 19.397 25.915 38.818 646 H6 U 335 H6 U 335 18.123 25.553 40.881 647 1H5* U 336 1H5* U 336 12.133 29.268 43.093 648 2H5* U 336 2H5* U 336 11.010 29.789 41.837 649 H4* U 336 H4* U 336 12.274 31.661 42.764 650 H3* U 336 H3* U 336 12.587 30.981 39.865 651 H2* U 336 H2* U 336 14.097 32.781 39.546 652 2HO* U 336 2HO* U 336 12.717 33.980 41.135 653 H1* U 336 H1* U 336 15.600 32.138 41.850 654 H3 U 336 H3 U 336 18.299 31.399 38.222 655 H5 U 336 H5 U 336 15.962 27.941 38.567 656 H6 U 336 H6 U 336 14.638 29.123 40.260 657 1H5* C 337 1H5* C 337 12.432 35.205 39.610 658 2H5* C 337 2H5* C 337 10.836 35.473 38.910 659 H4* C 337 H4* C 337 12.113 36.821 37.580 660 H3* C 337 H3* C 337 11.912 34.146 36.249 661 H2* C 337 H2* C 337 13.292 34.875 34.460 662 2HO* C 337 2HO* C 337 13.883 37.387 35.319 663 H1* C 337 H1* C 337 15.255 35.941 36.126 664 1H4 C 337 1H4 C 337 17.367 30.011 35.170 665 2H4 C 337 2H4 C 337 16.089 29.375 36.180 666 H5 C 337 H5 C 337 14.385 30.700 37.140 667 H6 C 337 H6 C 337 13.481 32.986 37.367 668 1H5* G 338 1H5* G 338 11.998 36.829 32.950 669 2H5* G 338 2H5* G 338 10.704 36.263 31.894 670 H4* G 338 H4* G 338 12.838 36.228 30.742 671 H3* G 338 H3* G 338 11.505 33.586 31.262 672 H2* G 338 H2* G 338 13.224 32.453 30.128 673 2HO* G 338 2HO* G 338 14.528 34.838 29.384 674 H1* G 338 H1* G 338 15.210 34.264 31.254 675 H8 G 338 H8 G 338 13.148 32.532 33.807 676 H1 G 338 H1 G 338 18.127 28.960 31.723 677 1H2 G 338 1H2 G 338 18.964 29.849 30.061 678 2H2 G 338 2H2 G 338 18.402 31.341 29.340 679 1H5* G 339 1H5* G 339 13.022 32.486 28.063 680 2H5* G 339 2H5* G 339 11.795 31.712 27.059 681 H4* G 339 H4* G 339 13.670 30.249 27.967 682 H3* G 339 H3* G 339 10.757 29.580 28.082 683 H2* G 339 H2* G 339 11.118 28.055 29.729 684 2HO* G 339 2HO* G 339 13.437 27.011 28.582 685 H1* G 339 H1* G 339 14.089 28.751 29.581 686 H8 G 339 H8 G 339 15.179 28.069 31.734 687 H1 G 339 H1 G 339 9.566 27.996 34.955 688 1H2 G 339 1H2 G 339 8.048 28.620 33.707 689 2H2 G 339 2H2 G 339 8.264 29.093 32.036 690 1H5* A 340 1H5* A 340 13.040 29.876 24.234 691 2H5* A 340 2H5* A 340 14.765 30.135 23.980 692 H4* A 340 H4* A 340 12.893 32.090 23.946 693 H3* A 340 H3* A 340 15.845 32.162 24.465 694 H2* A 340 H2* A 340 15.732 34.506 24.896 695 2HO* A 340 2HO* A 340 12.945 34.142 24.265 696 H1* A 340 H1* A 340 13.580 34.192 26.685 697 H8 A 340 H8 A 340 15.655 31.407 27.622 698 1H6 A 340 1H6 A 340 19.535 35.340 30.526 699 2H6 A 340 2H6 A 340 19.108 33.655 30.334 700 H2 A 340 H2 A 340 16.803 37.725 27.958 701 1H5* A 341 1H5* A 341 14.921 35.825 22.759 702 2H5* A 341 2H5* A 341 15.958 36.014 21.345 703 H4* A 341 H4* A 341 16.172 37.949 22.745 704 H3* A 341 H3* A 341 18.588 36.156 22.664 705 H2* A 341 H2* A 341 19.789 37.740 23.956 706 2HO* A 341 2HO* A 341 17.404 39.302 23.538 707 H1* A 341 H1* A 341 17.733 38.083 25.823 708 H8 A 341 H8 A 341 18.147 34.537 24.591 709 1H6 A 341 1H6 A 341 22.054 33.741 29.393 710 2H6 A 341 2H6 A 341 21.214 32.918 28.097 711 H2 A 341 H2 A 341 20.989 38.048 29.168 712 1H5* C 342 1H5* C 342 19.860 39.526 21.925 713 2H5* C 342 2H5* C 342 20.880 39.957 20.551 714 H4* C 342 H4* C 342 22.012 40.527 22.589 715 H3* C 342 H3* C 342 23.180 38.300 20.973 716 H2* C 342 H2* C 342 24.954 38.012 22.537 717 2HO* C 342 2HO* C 342 25.200 40.206 23.037 718 H1* C 342 H1* C 342 23.225 37.887 24.728 719 1H4 C 342 1H4 C 342 24.263 31.847 22.820 720 2H4 C 342 2H4 C 342 22.745 31.928 21.953 721 H5 C 342 H5 C 342 21.470 33.902 21.715 722 H6 C 342 H6 C 342 21.336 36.307 22.256 723 1H5* A 343 1H5* A 343 26.585 40.814 21.748 724 2H5* A 343 2H5* A 343 27.533 40.925 20.266 725 H4* A 343 H4* A 343 28.841 40.040 22.134 726 H3* A 343 H3* A 343 28.381 38.283 19.739 727 H2* A 343 H2* A 343 29.790 36.619 20.679 728 2HO* A 343 2HO* A 343 30.998 37.249 22.598 729 H1* A 343 H1* A 343 28.560 36.681 23.176 730 H8 A 343 H8 A 343 25.979 37.211 20.537 731 1H6 A 343 1H6 A 343 25.610 30.999 20.073 732 2H6 A 343 2H6 A 343 24.867 32.503 19.580 733 H2 A 343 H2 A 343 29.097 31.997 22.642 734 1H5* C 344 1H5* C 344 32.790 38.744 19.583 735 2H5* C 344 2H5* C 344 33.232 38.733 17.876 736 H4* C 344 H4* C 344 34.245 36.864 19.033 737 H3* C 344 H3* C 344 32.156 36.218 16.970 738 H2* C 344 H2* C 344 32.611 33.895 17.248 739 2HO* C 344 2HO* C 344 34.550 34.642 19.218 740 H1* C 344 H1* C 344 32.432 34.032 20.038 741 1H4 C 344 1H4 C 344 26.556 32.313 18.256 742 2H4 C 344 2H4 C 344 26.217 33.960 17.771 743 H5 C 344 H5 C 344 27.818 35.696 17.802 744 H6 C 344 H6 C 344 30.162 36.285 18.312 745 1H5* C 345 1H5* C 345 35.857 34.073 15.201 746 2H5* C 345 2H5* C 345 35.226 33.534 13.645 747 H4* C 345 H4* C 345 35.689 31.843 15.610 748 H3* C 345 H3* C 345 33.417 31.775 13.632 749 H2* C 345 H2* C 345 32.709 29.711 14.563 750 2HO* C 345 2HO* C 345 34.260 28.914 16.332 751 H1* C 345 H1* C 345 32.954 30.632 17.213 752 1H4 C 345 1H4 C 345 26.788 31.271 15.552 753 2H4 C 345 2H4 C 345 27.131 32.942 15.165 754 H5 C 345 H5 C 345 29.301 33.874 15.162 755 H6 C 345 H6 C 345 31.701 33.425 15.535 756 1H5* C 346 1H5* C 346 34.179 27.932 14.025 757 2H5* C 346 2H5* C 346 34.610 27.285 12.443 758 H4* C 346 H4* C 346 32.841 25.957 13.302 759 H3* C 346 H3* C 346 31.944 27.823 11.107 760 H2* C 346 H2* C 346 29.827 26.783 11.132 761 2HO* C 346 2HO* C 346 30.133 24.861 12.974 762 H1* C 346 H1* C 346 29.878 26.637 14.022 763 1H4 C 346 1H4 C 346 25.448 30.988 12.405 764 2H4 C 346 2H4 C 346 26.698 32.208 12.509 765 H5 C 346 H5 C 346 28.986 31.725 12.838 766 H6 C 346 H6 C 346 30.655 29.932 13.150 767 1H5* G 347 1H5* G 347 31.835 23.661 9.593 768 2H5* G 347 2H5* G 347 31.968 23.549 7.838 769 H4* G 347 H4* G 347 29.883 22.577 8.669 770 H3* G 347 H3* G 347 29.703 24.982 6.865 771 H2* G 347 H2* G 347 27.340 24.724 6.798 772 2HO* G 347 2HO* G 347 27.939 22.353 8.324 773 H1* G 347 H1* G 347 27.181 24.395 9.607 774 H8 G 347 H8 G 347 29.490 27.161 9.208 775 H1 G 347 H1 G 347 23.418 28.948 7.861 776 1H2 G 347 1H2 G 347 22.237 27.270 7.647 777 2H2 G 347 2H2 G 347 22.808 25.625 7.808 778 1H5* G 348 1H5* G 348 28.616 22.256 3.407 779 2H5* G 348 2H5* G 348 28.736 23.467 2.131 780 H4* G 348 H4* G 348 26.431 22.815 3.288 781 H3* G 348 H3* G 348 27.297 25.505 2.231 782 H2* G 348 H2* G 348 25.117 26.330 2.697 783 2HO* G 348 2HO* G 348 24.080 24.034 3.800 784 H1* G 348 H1* G 348 25.105 25.112 5.269 785 H8 G 348 H8 G 348 28.349 26.652 5.192 786 H1 G 348 H1 G 348 23.699 31.136 5.595 787 1H2 G 348 1H2 G 348 21.878 30.281 5.143 788 2H2 G 348 2H2 G 348 21.644 28.601 4.719 789 1H5* C 349 1H5* C 349 23.559 26.287 1.401 790 2H5* C 349 2H5* C 349 23.553 26.390 -0.359 791 H4* C 349 H4* C 349 22.808 28.481 0.386 792 H3* C 349 H3* C 349 25.688 28.569 -0.470 793 H2* C 349 H2* C 349 25.790 30.869 -0.009 794 2HO* C 349 2HO* C 349 23.058 31.047 0.642 795 H1* C 349 H1* C 349 24.117 30.531 2.347 796 1H4 C 349 1H4 C 349 29.890 32.200 4.540 797 2H4 C 349 2H4 C 349 30.401 30.534 4.379 798 H5 C 349 H5 C 349 29.079 28.843 3.394 799 H6 C 349 H6 C 349 26.921 28.328 2.310 800 1H5* C 350 1H5* C 350 23.812 30.888 -3.955 801 2H5* C 350 2H5* C 350 25.038 30.831 -5.222 802 H4* C 350 H4* C 350 24.612 33.075 -4.102 803 H3* C 350 H3* C 350 27.346 31.882 -4.476 804 H2* C 350 H2* C 350 28.334 33.831 -3.560 805 2HO* C 350 2HO* C 350 26.960 35.687 -3.315 806 H1* C 350 H1* C 350 26.409 33.907 -1.439 807 1H4 C 350 1H4 C 350 31.804 31.734 1.216 808 2H4 C 350 2H4 C 350 31.410 30.127 0.645 809 H5 C 350 H5 C 350 29.573 29.645 -0.760 810 H6 C 350 H6 C 350 27.646 30.595 -1.976 811 1H5* G 351 1H5* G 351 27.941 35.424 -6.996 812 2H5* G 351 2H5* G 351 28.333 34.773 -8.587 813 H4* G 351 H4* G 351 30.102 36.204 -8.094 814 H3* G 351 H3* G 351 30.831 33.340 -7.624 815 H2* G 351 H2* G 351 33.019 33.951 -6.930 816 2HO* G 351 2HO* G 351 32.072 36.527 -7.793 817 H1* G 351 H1* G 351 32.134 35.913 -5.159 818 H8 G 351 H8 G 351 29.989 32.792 -5.435 819 H1 G 351 H1 G 351 34.547 32.550 -0.847 820 1H2 G 351 1H2 G 351 35.759 34.212 -0.993 821 2H2 G 351 2H2 G 351 35.569 35.482 -2.181 822 1H5* C 352 1H5* C 352 33.778 34.910 -10.150 823 2H5* C 352 2H5* C 352 34.486 33.770 -11.295 824 H4* C 352 H4* C 352 36.133 34.597 -9.692 825 H3* C 352 H3* C 352 35.487 31.668 -9.714 826 H2* C 352 H2* C 352 37.120 31.264 -8.040 827 2HO* C 352 2HO* C 352 38.448 33.193 -7.457 828 H1* C 352 H1* C 352 36.219 33.483 -6.491 829 1H4 C 352 1H4 C 352 33.767 28.376 -3.551 830 2H4 C 352 2H4 C 352 32.522 28.277 -4.776 831 H5 C 352 H5 C 352 32.447 29.659 -6.691 832 H6 C 352 H6 C 352 33.560 31.493 -7.913 833 1H5* A 353 1H5* A 353 39.480 31.658 -11.829 834 2H5* A 353 2H5* A 353 39.341 30.642 -13.264 835 H4* A 353 H4* A 353 40.951 29.720 -11.702 836 H3* A 353 H3* A 353 38.440 28.128 -12.171 837 H2* A 353 H2* A 353 39.317 26.371 -10.841 838 2HO* A 353 2HO* A 353 41.685 27.976 -10.592 839 H1* A 353 H1* A 353 40.166 28.140 -8.804 840 H8 A 353 H8 A 353 36.798 28.230 -10.645 841 1H6 A 353 1H6 A 353 34.442 25.798 -5.403 842 2H6 A 353 2H6 A 353 34.037 26.384 -7.001 843 H2 A 353 H2 A 353 38.838 26.201 -4.895 844 1H5* A 354 1H5* A 354 41.911 25.767 -12.655 845 2H5* A 354 2H5* A 354 41.699 24.398 -13.746 846 H4* A 354 H4* A 354 42.298 23.682 -11.490 847 H3* A 354 H3* A 354 39.573 22.886 -12.511 848 H2* A 354 H2* A 354 39.307 21.509 -10.600 849 2HO* A 354 2HO* A 354 41.583 20.895 -10.784 850 H1* A 354 H1* A 354 40.301 23.513 -8.853 851 H8 A 354 H8 A 354 37.941 24.997 -11.304 852 1H6 A 354 1H6 A 354 33.319 23.319 -7.460 853 2H6 A 354 2H6 A 354 33.706 24.254 -8.886 854 H2 A 354 H2 A 354 37.071 21.412 -6.037 855 1H5* C 355 1H5* C 355 41.587 18.761 -12.200 856 2H5* C 355 2H5* C 355 40.898 17.955 -13.608 857 H4* C 355 H4* C 355 40.445 16.717 -11.561 858 H3* C 355 H3* C 355 38.125 17.856 -13.080 859 H2* C 355 H2* C 355 36.596 16.898 -11.543 860 2HO* C 355 2HO* C 355 38.054 15.008 -11.436 861 H1* C 355 H1* C 355 38.098 17.772 -9.300 862 1H4 C 355 1H4 C 355 33.315 21.975 -9.853 863 2H4 C 355 2H4 C 355 34.238 22.838 -11.062 864 H5 C 355 H5 C 355 36.301 22.081 -11.930 865 H6 C 355 H6 C 355 38.001 20.292 -11.851 866 1H5* C 356 1H5* C 356 38.148 13.541 -13.105 867 2H5* C 356 2H5* C 356 37.126 12.635 -14.219 868 H4* C 356 H4* C 356 36.300 12.417 -11.961 869 H3* C 356 H3* C 356 34.567 13.951 -13.881 870 H2* C 356 H2* C 356 32.875 14.109 -12.218 871 2HO* C 356 2HO* C 356 34.705 12.418 -10.769 872 H1* C 356 H1* C 356 34.709 14.930 -10.236 873 1H4 C 356 1H4 C 356 32.113 20.371 -12.330 874 2H4 C 356 2H4 C 356 33.162 20.327 -13.729 875 H5 C 356 H5 C 356 34.617 18.534 -14.226 876 H6 C 356 H6 C 356 35.434 16.322 -13.493 877 1H5* C 357 1H5* C 357 32.775 11.036 -12.190 878 2H5* C 357 2H5* C 357 32.391 9.470 -12.906 879 H4* C 357 H4* C 357 30.504 9.729 -11.697 880 H3* C 357 H3* C 357 29.975 11.085 -14.305 881 H2* C 357 H2* C 357 27.879 11.895 -13.562 882 2HO* C 357 2HO* C 357 27.641 9.804 -12.404 883 H1* C 357 H1* C 357 28.791 12.950 -11.199 884 1H4 C 357 1H4 C 357 29.680 17.614 -15.487 885 2H4 C 357 2H4 C 357 31.292 16.999 -15.775 886 H5 C 357 H5 C 357 32.127 15.001 -14.833 887 H6 C 357 H6 C 357 31.613 13.080 -13.367 888 1H5* U 358 1H5* U 358 25.977 10.464 -13.285 889 2H5* U 358 2H5* U 358 25.572 9.172 -14.414 890 H4* U 358 H4* U 358 23.943 10.771 -14.812 891 H3* U 358 H3* U 358 26.132 11.000 -16.855 892 H2* U 358 H2* U 358 24.963 12.750 -17.944 893 2HO* U 358 2HO* U 358 22.929 12.045 -16.029 894 H1* U 358 H1* U 358 24.365 14.019 -15.450 895 H3 U 358 H3 U 358 26.895 17.240 -17.318 896 H5 U 358 H5 U 358 29.597 14.081 -16.812 897 H6 U 358 H6 U 358 27.702 12.708 -16.077 898 1H5* G 359 1H5* G 359 22.403 10.461 -18.108 899 2H5* G 359 2H5* G 359 21.761 9.524 -19.457 900 H4* G 359 H4* G 359 20.964 11.673 -19.837 901 H3* G 359 H3* G 359 23.406 11.164 -21.518 902 H2* G 359 H2* G 359 23.163 13.290 -22.524 903 2HO* G 359 2HO* G 359 20.824 12.948 -22.554 904 H1* G 359 H1* G 359 22.588 14.521 -20.000 905 H8 G 359 H8 G 359 25.588 12.337 -19.822 906 H1 G 359 H1 G 359 26.859 18.216 -22.212 907 1H2 G 359 1H2 G 359 25.089 19.194 -22.611 908 2H2 G 359 2H2 G 359 23.497 18.524 -22.339 909 1H5* G 360 1H5* G 360 19.841 11.645 -23.725 910 2H5* G 360 2H5* G 360 19.513 10.796 -25.237 911 H4* G 360 H4* G 360 19.351 13.059 -25.780 912 H3* G 360 H3* G 360 22.034 11.969 -26.608 913 H2* G 360 H2* G 360 22.524 14.045 -27.653 914 2HO* G 360 2HO* G 360 19.809 14.656 -26.906 915 H1* G 360 H1* G 360 21.662 15.544 -25.431 916 H8 G 360 H8 G 360 23.566 12.506 -24.374 917 H1 G 360 H1 G 360 27.349 17.521 -25.933 918 1H2 G 360 1H2 G 360 26.209 18.995 -26.815 919 2H2 G 360 2H2 G 360 24.486 18.890 -27.091 920 1H5* G 361 1H5* G 361 19.396 12.232 -30.126 921 2H5* G 361 2H5* G 361 19.676 11.151 -31.491 922 H4* G 361 H4* G 361 20.339 13.292 -32.207 923 H3* G 361 H3* G 361 22.662 11.504 -31.567 924 H2* G 361 H2* G 361 24.185 13.201 -32.247 925 2HO* G 361 2HO* G 361 23.135 15.167 -33.168 926 H1* G 361 H1* G 361 22.851 15.181 -30.735 927 H8 G 361 H8 G 361 23.122 11.959 -28.861 928 H1 G 361 H1 G 361 28.428 15.642 -28.455 929 1H2 G 361 1H2 G 361 28.287 17.204 -29.793 930 2H2 G 361 2H2 G 361 26.932 17.476 -30.866 931 1H5* A 362 1H5* A 362 22.371 12.614 -35.765 932 2H5* A 362 2H5* A 362 22.904 11.464 -36.991 933 H4* A 362 H4* A 362 24.040 13.518 -37.372 934 H3* A 362 H3* A 362 25.757 11.319 -36.271 935 H2* A 362 H2* A 362 27.673 12.715 -36.381 936 2HO* A 362 2HO* A 362 25.804 14.498 -37.657 937 H1* A 362 H1* A 362 26.458 14.867 -35.115 938 H8 A 362 H8 A 362 25.040 11.884 -33.483 939 1H6 A 362 1H6 A 362 30.206 11.603 -29.994 940 2H6 A 362 2H6 A 362 28.588 10.967 -30.184 941 H2 A 362 H2 A 362 30.889 14.545 -33.252 942 1H5* G 363 1H5* G 363 28.215 13.424 -38.999 943 2H5* G 363 2H5* G 363 29.221 12.212 -39.791 944 H4* G 363 H4* G 363 30.293 14.024 -38.254 945 H3* G 363 H3* G 363 31.039 11.121 -38.428 946 H2* G 363 H2* G 363 32.763 11.448 -36.832 947 2HO* G 363 2HO* G 363 33.208 13.552 -37.817 948 H1* G 363 H1* G 363 31.154 12.825 -35.034 949 H8 G 363 H8 G 363 28.910 10.312 -36.490 950 H1 G 363 H1 G 363 33.010 7.740 -32.194 951 1H2 G 363 1H2 G 363 34.488 9.107 -31.749 952 2H2 G 363 2H2 G 363 34.600 10.712 -32.439 953 1H5* A 364 1H5* A 364 34.702 12.263 -38.214 954 2H5* A 364 2H5* A 364 34.724 13.161 -39.731 955 H4* A 364 H4* A 364 36.347 10.702 -39.745 956 H3* A 364 H3* A 364 36.693 12.509 -37.503 957 H2* A 364 H2* A 364 38.231 13.834 -38.600 958 2HO* A 364 2HO* A 364 40.265 12.295 -38.720 959 H1* A 364 H1* A 364 38.649 11.470 -40.513 960 H8 A 364 H8 A 364 40.873 12.427 -41.445 961 1H6 A 364 1H6 A 364 40.029 18.019 -44.086 962 2H6 A 364 2H6 A 364 41.166 16.704 -43.883 963 H2 A 364 H2 A 364 36.330 16.958 -41.867 964 1H5* G 365 1H5* G 365 40.083 8.634 -34.816 965 2H5* G 365 2H5* G 365 38.599 9.242 -34.081 966 H4* G 365 H4* G 365 41.286 10.029 -33.591 967 H3* G 365 H3* G 365 38.604 10.883 -32.488 968 H2* G 365 H2* G 365 39.715 12.522 -31.213 969 2HO* G 365 2HO* G 365 42.220 11.477 -32.094 970 H1* G 365 H1* G 365 41.539 13.079 -33.389 971 H8 G 365 H8 G 365 37.699 13.139 -33.243 972 H1 G 365 H1 G 365 40.578 18.922 -33.626 973 1H2 G 365 1H2 G 365 42.625 18.674 -33.625 974 2H2 G 365 2H2 G 365 43.441 17.128 -33.535 975 1H5* G 366 1H5* G 366 39.447 7.862 -27.410 976 2H5* G 366 2H5* G 366 38.130 8.940 -27.876 977 H4* G 366 H4* G 366 39.061 10.009 -26.048 978 H3* G 366 H3* G 366 39.114 11.480 -28.235 979 H2* G 366 H2* G 366 41.210 10.729 -29.102 980 2HO* G 366 2HO* G 366 42.511 12.730 -28.461 981 H1* G 366 H1* G 366 42.399 11.209 -26.327 982 H8 G 366 H8 G 366 42.422 7.911 -28.132 983 H1 G 366 H1 G 366 48.059 11.082 -28.368 984 1H2 G 366 1H2 G 366 47.810 12.986 -27.615 985 2H2 G 366 2H2 G 366 46.299 13.627 -27.010 986 1H5* U 367 1H5* U 367 39.545 13.305 -29.239 987 2H5* U 367 2H5* U 367 39.592 14.725 -28.194 988 H4* U 367 H4* U 367 38.867 15.417 -30.355 989 H3* U 367 H3* U 367 36.697 15.414 -28.269 990 H2* U 367 H2* U 367 35.210 16.402 -29.835 991 2HO* U 367 2HO* U 367 36.127 17.309 -31.720 992 H1* U 367 H1* U 367 35.875 14.599 -31.877 993 H3 U 367 H3 U 367 31.712 13.189 -30.869 994 H5 U 367 H5 U 367 33.951 12.062 -27.514 995 H6 U 367 H6 U 367 35.851 13.258 -28.502 996 1H5* C 368 1H5* C 368 36.734 18.720 -29.859 997 2H5* C 368 2H5* C 368 36.748 20.319 -29.113 998 H4* C 368 H4* C 368 34.790 20.251 -30.397 999 H3* C 368 H3* C 368 34.148 19.746 -27.488 1000 H2* C 368 H2* C 368 31.854 19.862 -28.030 1001 2HO* C 368 2HO* C 368 31.542 20.523 -30.442 1002 H1* C 368 H1* C 368 32.259 18.371 -30.456 1003 1H4 C 368 1H4 C 368 29.369 14.288 -26.488 1004 2H4 C 368 2H4 C 368 30.891 14.028 -25.664 1005 H5 C 368 H5 C 368 32.868 15.225 -26.148 1006 H6 C 368 H6 C 368 33.884 16.982 -27.554 1007 1H5* C 369 1H5* C 369 32.937 23.344 -28.837 1008 2H5* C 369 2H5* C 369 32.865 24.914 -28.038 1009 H4* C 369 H4* C 369 30.642 24.514 -28.292 1010 H3* C 369 H3* C 369 31.367 23.259 -25.646 1011 H2* C 369 H2* C 369 29.079 22.741 -25.313 1012 2HO* C 369 2HO* C 369 28.722 24.263 -27.734 1013 H1* C 369 H1* C 369 28.767 21.804 -27.975 1014 1H4 C 369 1H4 C 369 29.488 16.338 -24.811 1015 2H4 C 369 2H4 C 369 31.053 16.848 -24.217 1016 H5 C 369 H5 C 369 32.007 18.962 -24.669 1017 H6 C 369 H6 C 369 31.691 21.126 -25.814 1018 1H5* C 370 1H5* C 370 28.764 26.366 -25.416 1019 2H5* C 370 2H5* C 370 28.411 27.416 -24.045 1020 H4* C 370 H4* C 370 26.489 26.104 -24.353 1021 H3* C 370 H3* C 370 28.148 25.066 -22.056 1022 H2* C 370 H2* C 370 26.392 23.559 -21.533 1023 2HO* C 370 2HO* C 370 24.403 23.895 -22.950 1024 H1* C 370 H1* C 370 26.048 22.850 -24.272 1025 1H4 C 370 1H4 C 370 29.353 17.947 -21.902 1026 2H4 C 370 2H4 C 370 30.768 18.961 -21.741 1027 H5 C 370 H5 C 370 30.789 21.276 -22.213 1028 H6 C 370 H6 C 370 29.443 23.204 -22.965 1029 1H5* A 371 1H5* A 371 24.680 27.558 -19.892 1030 2H5* A 371 2H5* A 371 25.201 27.628 -18.209 1031 H4* A 371 H4* A 371 23.025 26.428 -18.674 1032 H3* A 371 H3* A 371 25.264 25.222 -17.077 1033 H2* A 371 H2* A 371 23.919 23.309 -16.623 1034 2HO* A 371 2HO* A 371 21.947 24.853 -18.047 1035 H1* A 371 H1* A 371 23.226 22.928 -19.292 1036 H8 A 371 H8 A 371 26.707 24.117 -19.380 1037 1H6 A 371 1H6 A 371 28.512 18.290 -18.058 1038 2H6 A 371 2H6 A 371 29.072 19.865 -18.574 1039 H2 A 371 H2 A 371 24.116 18.552 -17.466 1040 1H5* G 372 1H5* G 372 21.583 24.784 -14.632 1041 2H5* G 372 2H5* G 372 22.031 25.455 -13.064 1042 H4* G 372 H4* G 372 21.006 23.344 -12.687 1043 H3* G 372 H3* G 372 23.963 23.418 -12.216 1044 H2* G 372 H2* G 372 23.962 21.134 -11.552 1045 2HO* G 372 2HO* G 372 22.068 20.857 -10.495 1046 H1* G 372 H1* G 372 22.443 20.338 -13.791 1047 H8 G 372 H8 G 372 24.913 22.810 -14.966 1048 H1 G 372 H1 G 372 27.505 16.952 -14.045 1049 1H2 G 372 1H2 G 372 26.172 15.763 -13.016 1050 2H2 G 372 2H2 G 372 24.586 16.276 -12.482 1051 1H5* G 373 1H5* G 373 22.147 22.064 -8.829 1052 2H5* G 373 2H5* G 373 22.617 22.686 -7.248 1053 H4* G 373 H4* G 373 22.871 20.302 -7.265 1054 H3* G 373 H3* G 373 25.428 21.878 -7.179 1055 H2* G 373 H2* G 373 26.669 19.864 -6.963 1056 2HO* G 373 2HO* G 373 24.171 18.464 -7.030 1057 H1* G 373 H1* G 373 25.368 18.599 -9.078 1058 H8 G 373 H8 G 373 25.677 22.107 -10.129 1059 H1 G 373 H1 G 373 31.267 18.884 -10.630 1060 1H2 G 373 1H2 G 373 31.113 17.080 -9.643 1061 2H2 G 373 2H2 G 373 29.682 16.524 -8.805 1062 1H5* G 374 1H5* G 374 24.708 19.521 -3.982 1063 2H5* G 374 2H5* G 374 25.259 19.677 -2.314 1064 H4* G 374 H4* G 374 26.323 17.765 -3.175 1065 H3* G 374 H3* G 374 28.186 20.127 -3.044 1066 H2* G 374 H2* G 374 29.982 18.715 -3.701 1067 2HO* G 374 2HO* G 374 29.314 16.363 -3.925 1068 H1* G 374 H1* G 374 28.519 17.570 -5.811 1069 H8 G 374 H8 G 374 27.697 21.160 -5.792 1070 H1 G 374 H1 G 374 33.498 19.964 -8.401 1071 1H2 G 374 1H2 G 374 34.045 18.016 -8.000 1072 2H2 G 374 2H2 G 374 33.076 16.877 -7.092 1073 1H5* U 375 1H5* U 375 29.996 17.210 -1.056 1074 2H5* U 375 2H5* U 375 30.596 17.554 0.566 1075 H4* U 375 H4* U 375 32.471 16.772 -0.545 1076 H3* U 375 H3* U 375 32.471 19.768 -0.480 1077 H2* U 375 H2* U 375 34.532 19.837 -1.649 1078 2HO* U 375 2HO* U 375 35.238 17.945 -0.419 1079 H1* U 375 H1* U 375 33.671 17.902 -3.542 1080 H3 U 375 H3 U 375 34.182 21.609 -6.093 1081 H5 U 375 H5 U 375 30.723 22.395 -3.868 1082 H6 U 375 H6 U 375 31.187 20.343 -2.609 1083 1H5* U 376 1H5* U 376 36.357 18.990 1.440 1084 2H5* U 376 2H5* U 376 36.565 20.279 2.626 1085 H4* U 376 H4* U 376 38.255 20.253 0.789 1086 H3* U 376 H3* U 376 36.562 22.708 1.258 1087 H2* U 376 H2* U 376 37.899 23.874 -0.306 1088 2HO* U 376 2HO* U 376 39.485 21.469 -0.216 1089 H1* U 376 H1* U 376 37.916 21.655 -2.109 1090 H3 U 376 H3 U 376 35.910 25.085 -4.364 1091 H5 U 376 H5 U 376 32.940 23.599 -1.812 1092 H6 U 376 H6 U 376 34.672 22.216 -0.764 1093 2H ALA 1 HN ALA 1 70.294 22.700 33.478 1094 HA ALA 1 HA ALA 1 70.639 23.963 31.068 1095 1HB ALA 1 1HB ALA 1 70.402 20.953 30.687 1096 2HB ALA 1 2HB ALA 1 70.500 22.195 29.416 1097 3HB ALA 1 3HB ALA 1 71.907 21.876 30.459 1098 H THR 2 HN THR 2 68.624 24.610 30.335 1099 HA THR 2 HA THR 2 66.412 24.079 31.994 1100 HB THR 2 HB THR 2 65.263 25.551 30.400 1101 HG1 THR 2 HG1 THR 2 67.429 24.462 28.826 1102 1HG2 THR 2 1HG2 THR 2 67.614 26.991 29.783 1103 2HG2 THR 2 2HG2 THR 2 66.579 27.243 31.208 1104 3HG2 THR 2 3HG2 THR 2 67.993 26.168 31.314 1105 H VAL 3 HN VAL 3 64.927 22.508 32.033 1106 HA VAL 3 HA VAL 3 64.563 20.953 29.585 1107 HB VAL 3 HB VAL 3 66.215 19.825 31.060 1108 1HG1 VAL 3 1HG1 VAL 3 64.544 18.700 33.035 1109 2HG1 VAL 3 2HG1 VAL 3 65.901 19.828 33.268 1110 3HG1 VAL 3 3HG1 VAL 3 64.245 20.453 33.079 1111 1HG2 VAL 3 1HG2 VAL 3 63.736 18.132 31.082 1112 2HG2 VAL 3 2HG2 VAL 3 64.391 18.703 29.529 1113 3HG2 VAL 3 3HG2 VAL 3 65.400 17.712 30.609 1114 H VAL 4 HN VAL 4 62.439 20.209 29.277 1115 HA VAL 4 HA VAL 4 60.540 21.242 31.266 1116 HB VAL 4 HB VAL 4 60.344 20.893 28.273 1117 1HG1 VAL 4 1HG1 VAL 4 58.049 21.699 28.417 1118 2HG1 VAL 4 2HG1 VAL 4 58.233 20.204 29.364 1119 3HG1 VAL 4 3HG1 VAL 4 58.162 21.778 30.192 1120 1HG2 VAL 4 1HG2 VAL 4 60.996 23.112 30.035 1121 2HG2 VAL 4 2HG2 VAL 4 61.110 22.994 28.264 1122 3HG2 VAL 4 3HG2 VAL 4 59.576 23.477 29.027 1123 H SER 5 HN SER 5 59.885 19.609 32.576 1124 HA SER 5 HA SER 5 60.019 16.934 31.717 1125 1HB SER 5 2HB SER 5 60.261 17.778 34.105 1126 2HB SER 5 3HB SER 5 58.533 18.068 34.126 1127 HG SER 5 HG SER 5 59.835 15.755 34.622 1128 H GLY 6 HN GLY 6 58.037 15.419 31.844 1129 1HA GLY 6 1HA GLY 6 55.931 14.848 31.267 1130 2HA GLY 6 2HA GLY 6 55.431 16.512 31.496 1131 H GLN 7 HN GLN 7 54.702 17.545 29.694 1132 HA GLN 7 HA GLN 7 54.996 16.321 27.188 1133 1HB GLN 7 2HB GLN 7 53.698 18.220 26.346 1134 2HB GLN 7 3HB GLN 7 53.006 17.656 27.854 1135 1HG GLN 7 2HG GLN 7 53.423 19.634 28.909 1136 2HG GLN 7 3HG GLN 7 55.076 19.688 28.329 1137 1HE2 GLN 7 1HE2 GLN 7 51.714 20.090 27.256 1138 2HE2 GLN 7 2HE2 GLN 7 51.989 21.378 26.132 1139 H LYS 8 HN LYS 8 55.850 17.521 25.193 1140 HA LYS 8 HA LYS 8 57.914 19.457 25.731 1141 1HB LYS 8 2HB LYS 8 59.540 17.869 24.384 1142 2HB LYS 8 3HB LYS 8 59.411 17.782 26.129 1143 1HG LYS 8 2HG LYS 8 58.224 15.771 26.091 1144 2HG LYS 8 3HG LYS 8 57.493 16.101 24.534 1145 1HD LYS 8 2HD LYS 8 60.339 15.956 24.126 1146 2HD LYS 8 3HD LYS 8 59.884 14.580 25.112 1147 1HE LYS 8 2HE LYS 8 58.317 15.310 22.606 1148 2HE LYS 8 3HE LYS 8 59.757 14.316 22.519 1149 1HZ LYS 8 1HZ LYS 8 58.383 12.662 22.974 1150 2HZ LYS 8 2HZ LYS 8 58.344 13.198 24.516 1151 3HZ LYS 8 3HZ LYS 8 57.171 13.638 23.470 1152 H GLN 9 HN GLN 9 56.378 17.171 23.386 1153 HA GLN 9 HA GLN 9 55.526 19.231 21.755 1154 1HB GLN 9 2HB GLN 9 58.231 18.912 21.389 1155 2HB GLN 9 3HB GLN 9 57.615 17.801 20.182 1156 1HG GLN 9 2HG GLN 9 56.564 19.492 18.947 1157 2HG GLN 9 3HG GLN 9 56.332 20.522 20.344 1158 1HE2 GLN 9 1HE2 GLN 9 57.770 20.525 17.550 1159 2HE2 GLN 9 2HE2 GLN 9 59.260 21.351 17.861 1160 H ASP 10 HN ASP 10 54.297 18.407 19.891 1161 HA ASP 10 HA ASP 10 53.143 15.952 20.446 1162 1HB ASP 10 2HB ASP 10 51.789 16.357 18.526 1163 2HB ASP 10 3HB ASP 10 52.173 17.950 19.146 1164 H ARG 11 HN ARG 11 53.043 14.066 18.795 1165 HA ARG 11 HA ARG 11 55.613 13.177 18.290 1166 1HB ARG 11 2HB ARG 11 53.105 12.026 18.409 1167 2HB ARG 11 3HB ARG 11 53.402 11.960 16.683 1168 1HG ARG 11 2HG ARG 11 54.977 10.323 16.903 1169 2HG ARG 11 3HG ARG 11 55.777 11.150 18.225 1170 1HD ARG 11 2HD ARG 11 54.139 10.279 19.842 1171 2HD ARG 11 3HD ARG 11 53.170 9.592 18.554 1172 HE ARG 11 HE ARG 11 54.731 7.830 18.312 1173 1HH1 ARG 11 2HH2 ARG 11 55.974 10.289 20.500 1174 2HH1 ARG 11 1HH2 ARG 11 57.281 9.305 21.069 1175 1HH2 ARG 11 2HH1 ARG 11 56.455 6.531 19.062 1176 2HH2 ARG 11 1HH1 ARG 11 57.556 7.152 20.245 1177 H GLN 12 HN GLN 12 56.605 12.624 16.154 1178 HA GLN 12 HA GLN 12 56.126 14.762 14.307 1179 1HB GLN 12 2HB GLN 12 58.190 13.996 13.221 1180 2HB GLN 12 3HB GLN 12 58.439 14.126 14.951 1181 1HG GLN 12 2HG GLN 12 57.468 11.460 14.035 1182 2HG GLN 12 3HG GLN 12 59.058 11.896 13.445 1183 1HE2 GLN 12 1HE2 GLN 12 59.592 10.003 14.798 1184 2HE2 GLN 12 2HE2 GLN 12 59.978 10.248 16.468 1185 H GLY 13 HN GLY 13 56.057 14.261 11.879 1186 1HA GLY 13 1HA GLY 13 54.535 11.770 11.393 1187 2HA GLY 13 2HA GLY 13 54.039 13.325 10.752 1188 H GLY 14 HN GLY 14 54.516 13.532 8.614 1189 1HA GLY 14 1HA GLY 14 56.106 13.863 6.924 1190 2HA GLY 14 2HA GLY 14 57.206 12.756 7.723 1191 H GLU 15 HN GLU 15 53.795 12.693 6.438 1192 HA GLU 15 HA GLU 15 54.555 10.487 4.767 1193 1HB GLU 15 2HB GLU 15 52.755 10.208 7.158 1194 2HB GLU 15 3HB GLU 15 52.301 9.338 5.706 1195 1HG GLU 15 2HG GLU 15 53.866 7.757 6.131 1196 2HG GLU 15 3HG GLU 15 55.133 8.967 6.075 1197 H ARG 16 HN ARG 16 52.533 9.811 3.364 1198 HA ARG 16 HA ARG 16 51.713 12.015 2.012 1199 1HB ARG 16 2HB ARG 16 51.068 9.139 2.053 1200 2HB ARG 16 3HB ARG 16 49.677 10.095 1.581 1201 1HG ARG 16 2HG ARG 16 52.387 10.645 0.327 1202 2HG ARG 16 3HG ARG 16 51.408 9.314 -0.259 1203 1HD ARG 16 2HD ARG 16 49.470 11.026 -0.480 1204 2HD ARG 16 3HD ARG 16 50.674 12.273 -0.219 1205 HE ARG 16 HE ARG 16 51.622 11.808 -2.342 1206 1HH1 ARG 16 2HH2 ARG 16 49.156 9.432 -1.532 1207 2HH1 ARG 16 1HH2 ARG 16 49.082 8.775 -3.134 1208 1HH2 ARG 16 2HH1 ARG 16 51.523 10.943 -4.455 1209 2HH2 ARG 16 1HH1 ARG 16 50.436 9.642 -4.807 1210 H ARG 17 HN ARG 17 49.262 12.629 1.625 1211 HA ARG 17 HA ARG 17 47.475 13.579 2.380 1212 1HB ARG 17 2HB ARG 17 47.606 11.085 4.051 1213 2HB ARG 17 3HB ARG 17 46.478 12.310 4.594 1214 1HG ARG 17 2HG ARG 17 45.028 11.418 3.079 1215 2HG ARG 17 3HG ARG 17 45.969 12.265 1.867 1216 1HD ARG 17 2HD ARG 17 46.049 10.088 1.014 1217 2HD ARG 17 3HD ARG 17 47.524 10.107 1.961 1218 HE ARG 17 HE ARG 17 45.111 9.215 3.413 1219 1HH1 ARG 17 2HH2 ARG 17 47.966 8.273 1.586 1220 2HH1 ARG 17 1HH2 ARG 17 47.980 6.652 2.199 1221 1HH2 ARG 17 2HH1 ARG 17 45.129 7.078 4.221 1222 2HH2 ARG 17 1HH1 ARG 17 46.355 5.968 3.708 1223 H ARG 18 HN ARG 18 46.361 14.539 4.579 1224 HA ARG 18 HA ARG 18 48.354 16.181 5.667 1225 1HB ARG 18 2HB ARG 18 46.460 17.122 7.028 1226 2HB ARG 18 3HB ARG 18 46.068 17.017 5.323 1227 1HG ARG 18 2HG ARG 18 45.146 14.591 6.046 1228 2HG ARG 18 3HG ARG 18 45.031 15.356 7.618 1229 1HD ARG 18 2HD ARG 18 42.916 15.813 6.657 1230 2HD ARG 18 3HD ARG 18 43.797 17.301 6.373 1231 HE ARG 18 HE ARG 18 43.654 16.893 4.082 1232 1HH1 ARG 18 2HH2 ARG 18 43.251 13.844 5.791 1233 2HH1 ARG 18 1HH2 ARG 18 42.908 12.937 4.355 1234 1HH2 ARG 18 2HH1 ARG 18 43.200 15.698 2.188 1235 2HH2 ARG 18 1HH1 ARG 18 42.879 13.999 2.292 1236 H SER 19 HN SER 19 49.419 13.840 6.344 1237 HA SER 19 HA SER 19 48.848 12.203 8.180 1238 1HB SER 19 2HB SER 19 51.170 12.627 7.390 1239 2HB SER 19 3HB SER 19 51.289 14.013 8.457 1240 HG SER 19 HG SER 19 51.953 12.647 9.955 1241 H GLN 20 HN GLN 20 50.296 15.255 9.518 1242 HA GLN 20 HA GLN 20 48.194 15.185 11.536 1243 1HB GLN 20 2HB GLN 20 50.470 14.301 12.335 1244 2HB GLN 20 3HB GLN 20 51.089 15.926 12.118 1245 1HG GLN 20 2HG GLN 20 50.112 16.664 14.039 1246 2HG GLN 20 3HG GLN 20 48.564 15.961 13.614 1247 1HE2 GLN 20 1HE2 GLN 20 50.714 15.998 15.947 1248 2HE2 GLN 20 2HE2 GLN 20 50.645 14.382 16.569 1249 H LEU 21 HN LEU 21 48.380 16.710 9.015 1250 HA LEU 21 HA LEU 21 49.389 19.190 9.106 1251 1HB LEU 21 2HB LEU 21 48.016 18.089 7.312 1252 2HB LEU 21 3HB LEU 21 46.580 18.559 8.201 1253 HG LEU 21 HG LEU 21 48.451 20.210 6.581 1254 1HD1 LEU 21 1HD1 LEU 21 46.246 19.559 5.737 1255 2HD1 LEU 21 2HD1 LEU 21 45.472 20.373 7.118 1256 3HD1 LEU 21 3HD1 LEU 21 46.383 21.324 5.920 1257 1HD2 LEU 21 1HD2 LEU 21 47.839 22.284 7.733 1258 2HD2 LEU 21 2HD2 LEU 21 47.013 21.342 8.998 1259 3HD2 LEU 21 3HD2 LEU 21 48.775 21.197 8.787 1260 H ASP 22 HN ASP 22 49.603 20.225 11.081 1261 HA ASP 22 HA ASP 22 47.513 20.343 12.921 1262 1HB ASP 22 2HB ASP 22 50.231 21.039 12.833 1263 2HB ASP 22 3HB ASP 22 49.434 22.588 13.017 1264 H ARG 23 HN ARG 23 46.352 22.403 13.593 1265 HA ARG 23 HA ARG 23 45.225 23.640 11.380 1266 1HB ARG 23 2HB ARG 23 45.130 24.128 14.377 1267 2HB ARG 23 3HB ARG 23 44.350 25.265 13.296 1268 1HG ARG 23 2HG ARG 23 43.802 22.260 13.365 1269 2HG ARG 23 3HG ARG 23 42.784 23.482 14.099 1270 1HD ARG 23 2HD ARG 23 43.316 24.176 11.310 1271 2HD ARG 23 3HD ARG 23 42.685 22.544 11.409 1272 HE ARG 23 HE ARG 23 41.110 24.195 13.123 1273 1HH1 ARG 23 2HH2 ARG 23 41.754 23.749 9.693 1274 2HH1 ARG 23 1HH2 ARG 23 40.197 24.322 9.196 1275 1HH2 ARG 23 2HH1 ARG 23 39.056 24.953 12.468 1276 2HH2 ARG 23 1HH1 ARG 23 38.652 25.012 10.785 1277 H ASP 24 HN ASP 24 48.248 24.111 12.839 1278 HA ASP 24 HA ASP 24 48.336 26.825 11.785 1279 1HB ASP 24 2HB ASP 24 48.466 26.479 14.396 1280 2HB ASP 24 3HB ASP 24 50.082 25.878 14.084 1281 H GLN 25 HN GLN 25 48.955 24.101 10.617 1282 HA GLN 25 HA GLN 25 51.825 24.486 10.253 1283 1HB GLN 25 2HB GLN 25 50.597 22.233 11.297 1284 2HB GLN 25 3HB GLN 25 50.731 21.804 9.603 1285 1HG GLN 25 2HG GLN 25 53.092 21.942 9.609 1286 2HG GLN 25 3HG GLN 25 53.132 23.011 10.997 1287 1HE2 GLN 25 1HE2 GLN 25 54.684 21.608 11.910 1288 2HE2 GLN 25 2HE2 GLN 25 54.231 20.141 12.710 1289 H CYS 26 HN CYS 26 52.543 24.792 8.159 1290 HA CYS 26 HA CYS 26 50.664 25.358 6.181 1291 1HB CYS 26 2HB CYS 26 52.903 26.383 6.270 1292 2HB CYS 26 3HB CYS 26 53.643 24.836 5.906 1293 H ALA 27 HN ALA 27 49.884 24.112 4.433 1294 HA ALA 27 HA ALA 27 50.439 21.250 4.657 1295 1HB ALA 27 1HB ALA 27 48.168 22.934 3.591 1296 2HB ALA 27 2HB ALA 27 48.365 21.247 3.058 1297 3HB ALA 27 3HB ALA 27 48.129 21.613 4.784 1298 H TYR 28 HN TYR 28 52.289 23.320 3.439 1299 HA TYR 28 HA TYR 28 52.357 22.139 0.744 1300 1HB TYR 28 2HB TYR 28 51.677 24.639 1.008 1301 2HB TYR 28 3HB TYR 28 53.253 24.921 1.719 1302 HD1 TYR 28 HD1 TYR 28 51.477 25.325 -1.190 1303 HD2 TYR 28 HD2 TYR 28 55.238 23.783 0.142 1304 HE1 TYR 28 HE1 TYR 28 52.459 25.704 -3.504 1305 HE2 TYR 28 HE2 TYR 28 56.209 24.167 -2.176 1306 HH TYR 28 HH TYR 28 54.485 24.513 -4.815 1307 H CYS 29 HN CYS 29 54.445 24.128 2.967 1308 HA CYS 29 HA CYS 29 56.680 22.463 2.156 1309 1HB CYS 29 2HB CYS 29 58.079 24.170 3.248 1310 2HB CYS 29 3HB CYS 29 57.030 24.865 2.028 1311 H LYS 30 HN LYS 30 54.287 22.799 4.623 1312 HA LYS 30 HA LYS 30 53.926 21.574 6.443 1313 1HB LYS 30 2HB LYS 30 56.053 20.115 5.198 1314 2HB LYS 30 3HB LYS 30 56.363 20.166 6.922 1315 1HG LYS 30 2HG LYS 30 54.913 18.385 6.971 1316 2HG LYS 30 3HG LYS 30 53.687 19.637 6.980 1317 1HD LYS 30 2HD LYS 30 54.197 19.398 4.266 1318 2HD LYS 30 3HD LYS 30 54.447 17.750 4.808 1319 1HE LYS 30 2HE LYS 30 52.019 19.120 5.905 1320 2HE LYS 30 3HE LYS 30 51.987 18.782 4.186 1321 1HZ LYS 30 1HZ LYS 30 52.286 16.878 6.384 1322 2HZ LYS 30 2HZ LYS 30 51.169 16.888 5.192 1323 3HZ LYS 30 3HZ LYS 30 52.714 16.475 4.859 1324 H GLU 31 HN GLU 31 55.363 24.244 6.165 1325 HA GLU 31 HA GLU 31 56.990 24.239 8.537 1326 1HB GLU 31 2HB GLU 31 56.277 26.381 6.496 1327 2HB GLU 31 3HB GLU 31 57.210 26.733 7.936 1328 1HG GLU 31 2HG GLU 31 58.971 25.179 7.274 1329 2HG GLU 31 3HG GLU 31 57.998 24.547 5.960 1330 H LYS 32 HN LYS 32 56.214 24.702 10.554 1331 HA LYS 32 HA LYS 32 53.451 25.422 10.809 1332 1HB LYS 32 2HB LYS 32 53.744 24.975 13.131 1333 2HB LYS 32 3HB LYS 32 54.611 23.734 12.247 1334 1HG LYS 32 2HG LYS 32 56.657 25.457 12.499 1335 2HG LYS 32 3HG LYS 32 55.712 26.041 13.854 1336 1HD LYS 32 2HD LYS 32 55.628 23.724 14.797 1337 2HD LYS 32 3HD LYS 32 56.568 23.137 13.440 1338 1HE LYS 32 2HE LYS 32 58.056 25.333 14.435 1339 2HE LYS 32 3HE LYS 32 57.481 24.505 15.869 1340 1HZ LYS 32 1HZ LYS 32 58.505 22.549 15.205 1341 2HZ LYS 32 2HZ LYS 32 58.707 23.032 13.658 1342 3HZ LYS 32 3HZ LYS 32 59.610 23.697 14.845 1343 H GLY 33 HN GLY 33 52.607 27.426 11.085 1344 1HA GLY 33 1HA GLY 33 53.186 29.523 12.459 1345 2HA GLY 33 2HA GLY 33 54.527 29.645 11.338 1346 H HIS 34 HN HIS 34 53.558 28.998 8.874 1347 HA HIS 34 HA HIS 34 51.424 30.972 8.530 1348 1HB HIS 34 2HB HIS 34 52.322 31.428 6.352 1349 2HB HIS 34 3HB HIS 34 53.606 31.559 7.538 1350 HD1 HIS 34 HD1 HIS 34 55.591 29.921 7.359 1351 HD2 HIS 34 HD2 HIS 34 52.530 29.169 4.591 1352 HE1 HIS 34 HE1 HIS 34 56.532 28.235 5.693 1353 H TRP 35 HN TRP 35 49.936 30.536 6.617 1354 HA TRP 35 HA TRP 35 49.202 27.717 6.711 1355 1HB TRP 35 2HB TRP 35 47.785 30.279 6.308 1356 2HB TRP 35 3HB TRP 35 47.217 28.942 5.328 1357 HD1 TRP 35 HD1 TRP 35 48.263 29.029 9.107 1358 HE1 TRP 35 HE1 TRP 35 46.382 27.937 10.602 1359 HE3 TRP 35 HE3 TRP 35 45.051 28.061 5.285 1360 HZ2 TRP 35 HZ2 TRP 35 43.820 26.816 10.032 1361 HZ3 TRP 35 HZ3 TRP 35 42.882 26.966 5.839 1362 HH2 TRP 35 HH2 TRP 35 42.246 26.348 8.117 1363 H ALA 36 HN ALA 36 48.428 26.751 4.558 1364 HA ALA 36 HA ALA 36 50.503 26.831 2.711 1365 1HB ALA 36 1HB ALA 36 49.193 24.872 2.812 1366 2HB ALA 36 2HB ALA 36 47.666 25.778 2.695 1367 3HB ALA 36 3HB ALA 36 48.718 25.620 1.269 1368 H LYS 37 HN LYS 37 47.379 28.589 2.906 1369 HA LYS 37 HA LYS 37 47.560 29.672 0.301 1370 1HB LYS 37 2HB LYS 37 46.003 30.731 2.675 1371 2HB LYS 37 3HB LYS 37 45.701 31.061 0.981 1372 1HG LYS 37 2HG LYS 37 45.682 28.220 2.080 1373 2HG LYS 37 3HG LYS 37 44.251 29.231 2.124 1374 1HD LYS 37 2HD LYS 37 44.274 29.478 -0.320 1375 2HD LYS 37 3HD LYS 37 45.815 28.649 -0.432 1376 1HE LYS 37 2HE LYS 37 43.559 27.194 0.938 1377 2HE LYS 37 3HE LYS 37 43.465 27.366 -0.804 1378 1HZ LYS 37 1HZ LYS 37 44.705 25.390 0.175 1379 2HZ LYS 37 2HZ LYS 37 45.390 26.174 -1.083 1380 3HZ LYS 37 3HZ LYS 37 45.937 26.432 0.434 1381 H ASP 38 HN ASP 38 49.490 30.110 3.031 1382 HA ASP 38 HA ASP 38 50.242 32.745 2.037 1383 1HB ASP 38 2HB ASP 38 49.138 32.362 4.491 1384 2HB ASP 38 3HB ASP 38 50.804 31.998 4.897 1385 H CYS 39 HN CYS 39 51.146 29.869 1.485 1386 HA CYS 39 HA CYS 39 53.601 29.513 2.852 1387 1HB CYS 39 2HB CYS 39 52.257 27.641 1.907 1388 2HB CYS 39 3HB CYS 39 52.625 28.207 0.290 1389 HA PRO 40 HA PRO 40 55.851 32.249 0.278 1390 1HB PRO 40 2HB PRO 40 58.355 31.766 1.261 1391 2HB PRO 40 3HB PRO 40 57.226 32.873 2.016 1392 1HG PRO 40 2HG PRO 40 58.009 30.154 2.872 1393 2HG PRO 40 3HG PRO 40 57.236 31.418 3.806 1394 1HD PRO 40 2HD PRO 40 55.978 29.093 2.693 1395 2HD PRO 40 3HD PRO 40 55.186 30.415 3.528 1396 H LYS 41 HN LYS 41 55.662 29.037 -0.028 1397 HA LYS 41 HA LYS 41 57.812 28.847 -1.971 1398 1HB LYS 41 2HB LYS 41 56.826 27.074 -0.138 1399 2HB LYS 41 3HB LYS 41 55.977 26.562 -1.582 1400 1HG LYS 41 2HG LYS 41 57.918 25.900 -2.669 1401 2HG LYS 41 3HG LYS 41 58.893 27.156 -1.931 1402 1HD LYS 41 2HD LYS 41 57.889 24.635 -0.525 1403 2HD LYS 41 3HD LYS 41 59.527 24.901 -1.089 1404 1HE LYS 41 2HE LYS 41 59.455 27.058 0.424 1405 2HE LYS 41 3HE LYS 41 58.070 26.299 1.181 1406 1HZ LYS 41 1HZ LYS 41 59.701 24.287 1.245 1407 2HZ LYS 41 2HZ LYS 41 60.839 25.457 1.196 1408 3HZ LYS 41 3HZ LYS 41 59.740 25.438 2.404 1409 H LYS 42 HN LYS 42 54.369 29.460 -1.743 1410 HA LYS 42 HA LYS 42 53.609 28.556 -4.277 1411 1HB LYS 42 2HB LYS 42 52.502 30.439 -2.233 1412 2HB LYS 42 3HB LYS 42 51.825 30.484 -3.847 1413 1HG LYS 42 2HG LYS 42 51.025 28.273 -3.732 1414 2HG LYS 42 3HG LYS 42 52.216 27.789 -2.542 1415 1HD LYS 42 2HD LYS 42 49.979 27.956 -1.503 1416 2HD LYS 42 3HD LYS 42 51.068 29.135 -0.800 1417 1HE LYS 42 2HE LYS 42 49.276 30.541 -1.213 1418 2HE LYS 42 3HE LYS 42 50.077 30.695 -2.764 1419 1HZ LYS 42 1HZ LYS 42 47.822 28.936 -2.110 1420 2HZ LYS 42 2HZ LYS 42 47.842 30.179 -3.169 1421 3HZ LYS 42 3HZ LYS 42 48.664 28.809 -3.503 1422 HA PRO 43 HA PRO 43 55.846 31.590 -6.518 1423 1HB PRO 43 2HB PRO 43 55.607 30.411 -8.971 1424 2HB PRO 43 3HB PRO 43 56.888 30.020 -7.842 1425 1HG PRO 43 2HG PRO 43 54.481 28.448 -8.529 1426 2HG PRO 43 3HG PRO 43 55.957 27.912 -7.752 1427 1HD PRO 43 2HD PRO 43 53.437 28.426 -6.481 1428 2HD PRO 43 3HD PRO 43 54.942 28.003 -5.691 1429 H ARG 44 HN ARG 44 53.071 30.240 -8.254 1430 HA ARG 44 HA ARG 44 51.465 32.392 -7.918 1431 1HB ARG 44 2HB ARG 44 51.688 33.519 -10.214 1432 2HB ARG 44 3HB ARG 44 52.985 33.858 -9.086 1433 1HG ARG 44 2HG ARG 44 54.425 32.165 -10.154 1434 2HG ARG 44 3HG ARG 44 53.115 31.660 -11.204 1435 1HD ARG 44 2HD ARG 44 54.118 33.132 -12.673 1436 2HD ARG 44 3HD ARG 44 53.130 34.306 -11.827 1437 HE ARG 44 HE ARG 44 55.051 35.137 -10.722 1438 1HH1 ARG 44 2HH2 ARG 44 55.825 32.207 -12.510 1439 2HH1 ARG 44 1HH2 ARG 44 57.537 32.409 -12.350 1440 1HH2 ARG 44 2HH1 ARG 44 57.310 35.403 -10.509 1441 2HH2 ARG 44 1HH1 ARG 44 58.388 34.239 -11.204 1442 H GLY 45 HN GLY 45 50.916 29.762 -7.935 1443 1HA GLY 45 1HA GLY 45 50.393 28.457 -10.324 1444 2HA GLY 45 2HA GLY 45 49.563 28.192 -8.804 1445 HA PRO 46 HA PRO 46 48.444 26.990 -10.070 1446 1HB PRO 46 2HB PRO 46 46.949 25.933 -12.098 1447 2HB PRO 46 3HB PRO 46 46.328 26.178 -10.478 1448 1HG PRO 46 2HG PRO 46 45.789 27.744 -12.926 1449 2HG PRO 46 3HG PRO 46 44.879 27.699 -11.429 1450 1HD PRO 46 2HD PRO 46 46.667 29.770 -12.289 1451 2HD PRO 46 3HD PRO 46 45.848 29.669 -10.743 1452 H ARG 47 HN ARG 47 48.074 28.074 -13.419 1453 HA ARG 47 HA ARG 47 49.439 28.023 -15.094 1454 1HB ARG 47 2HB ARG 47 51.036 29.060 -13.285 1455 2HB ARG 47 3HB ARG 47 51.810 27.488 -13.255 1456 1HG ARG 47 2HG ARG 47 53.049 28.783 -14.851 1457 2HG ARG 47 3HG ARG 47 52.077 27.676 -15.798 1458 1HD ARG 47 2HD ARG 47 50.399 29.440 -16.225 1459 2HD ARG 47 3HD ARG 47 51.247 30.549 -15.166 1460 HE ARG 47 HE ARG 47 52.758 30.993 -16.893 1461 1HH1 ARG 47 2HH2 ARG 47 51.112 27.959 -17.573 1462 2HH1 ARG 47 1HH2 ARG 47 51.810 27.786 -19.149 1463 1HH2 ARG 47 2HH1 ARG 47 53.679 30.766 -18.972 1464 2HH2 ARG 47 1HH1 ARG 47 53.280 29.395 -19.950 1465 H GLY 48 HN GLY 48 49.510 26.312 -16.521 1466 1HA GLY 48 1HA GLY 48 49.923 24.266 -17.365 1467 2HA GLY 48 2HA GLY 48 51.064 23.989 -16.064 1468 HA PRO 49 HA PRO 49 47.014 21.736 -15.376 1469 1HB PRO 49 2HB PRO 49 47.294 19.410 -16.783 1470 2HB PRO 49 3HB PRO 49 46.373 20.780 -17.370 1471 1HG PRO 49 2HG PRO 49 49.046 19.846 -18.217 1472 2HG PRO 49 3HG PRO 49 47.942 20.920 -19.054 1473 1HD PRO 49 2HD PRO 49 50.303 21.671 -17.608 1474 2HD PRO 49 3HD PRO 49 49.138 22.752 -18.346 1475 H ARG 50 HN ARG 50 46.719 19.314 -14.505 1476 HA ARG 50 HA ARG 50 48.593 19.251 -12.429 1477 1HB ARG 50 2HB ARG 50 47.370 17.214 -11.706 1478 2HB ARG 50 3HB ARG 50 46.242 18.473 -12.169 1479 1HG ARG 50 2HG ARG 50 47.100 16.608 -14.355 1480 2HG ARG 50 3HG ARG 50 46.097 15.909 -13.100 1481 1HD ARG 50 2HD ARG 50 44.724 18.246 -13.558 1482 2HD ARG 50 3HD ARG 50 45.404 17.975 -15.151 1483 HE ARG 50 HE ARG 50 44.310 15.505 -14.191 1484 1HH1 ARG 50 2HH2 ARG 50 43.270 18.667 -15.333 1485 2HH1 ARG 50 1HH2 ARG 50 41.746 18.094 -15.926 1486 1HH2 ARG 50 2HH1 ARG 50 42.300 14.748 -14.972 1487 2HH2 ARG 50 1HH1 ARG 50 41.191 15.851 -15.718 1488 HA PRO 51 HA PRO 51 51.532 16.526 -14.149 1489 1HB PRO 51 2HB PRO 51 52.634 15.404 -11.915 1490 2HB PRO 51 3HB PRO 51 53.064 16.999 -12.498 1491 1HG PRO 51 2HG PRO 51 51.369 16.263 -10.189 1492 2HG PRO 51 3HG PRO 51 52.151 17.794 -10.534 1493 1HD PRO 51 2HD PRO 51 49.371 17.169 -10.873 1494 2HD PRO 51 3HD PRO 51 50.173 18.660 -11.326 1495 H GLN 52 HN GLN 52 52.519 14.100 -13.675 1496 HA GLN 52 HA GLN 52 50.142 12.545 -14.175 1497 1HB GLN 52 2HB GLN 52 52.702 12.567 -15.295 1498 2HB GLN 52 3HB GLN 52 52.732 11.135 -14.285 1499 1HG GLN 52 2HG GLN 52 50.455 10.510 -15.356 1500 2HG GLN 52 3HG GLN 52 50.762 11.787 -16.517 1501 1HE2 GLN 52 1HE2 GLN 52 51.167 10.733 -18.333 1502 2HE2 GLN 52 2HE2 GLN 52 52.406 9.549 -18.580 1503 H THR 53 HN THR 53 49.930 10.336 -13.149 1504 HA THR 53 HA THR 53 50.064 10.551 -10.353 1505 HB THR 53 HB THR 53 49.255 8.189 -10.478 1506 HG1 THR 53 HG1 THR 53 49.554 8.461 -13.348 1507 1HG2 THR 53 1HG2 THR 53 47.349 9.430 -11.021 1508 2HG2 THR 53 2HG2 THR 53 48.166 10.283 -12.353 1509 3HG2 THR 53 3HG2 THR 53 47.595 8.613 -12.583 1510 H SER 54 HN SER 54 51.086 8.688 -8.983 1511 HA SER 54 HA SER 54 53.651 7.914 -9.999 1512 1HB SER 54 2HB SER 54 54.094 10.186 -9.101 1513 2HB SER 54 3HB SER 54 53.402 9.727 -7.559 1514 HG SER 54 HG SER 54 55.103 8.211 -7.242 1515 H LEU 55 HN LEU 55 54.123 5.876 -9.216 1516 HA LEU 55 HA LEU 55 52.312 4.770 -7.270 1517 1HB LEU 55 2HB LEU 55 54.060 3.817 -9.377 1518 2HB LEU 55 3HB LEU 55 54.289 2.897 -7.903 1519 HG LEU 55 HG LEU 55 52.646 1.850 -9.372 1520 1HD1 LEU 55 1HD1 LEU 55 51.842 1.061 -7.459 1521 2HD1 LEU 55 2HD1 LEU 55 52.179 2.594 -6.619 1522 3HD1 LEU 55 3HD1 LEU 55 50.639 2.373 -7.484 1523 1HD2 LEU 55 1HD2 LEU 55 51.801 3.792 -10.542 1524 2HD2 LEU 55 2HD2 LEU 55 50.454 2.908 -9.785 1525 3HD2 LEU 55 3HD2 LEU 55 51.060 4.411 -9.048 1526 H LEU 56 HN LEU 56 52.931 3.831 -5.243 1527 HA LEU 56 HA LEU 56 53.881 4.085 -3.247 1528 1HB LEU 56 2HB LEU 56 55.516 2.656 -4.958 1529 2HB LEU 56 3HB LEU 56 56.623 3.787 -4.206 1530 HG LEU 56 HG LEU 56 56.565 1.671 -3.004 1531 1HD1 LEU 56 1HD1 LEU 56 56.768 2.616 -0.964 1532 2HD1 LEU 56 2HD1 LEU 56 56.571 4.125 -1.887 1533 3HD1 LEU 56 3HD1 LEU 56 55.176 3.408 -1.046 1534 1HD2 LEU 56 1HD2 LEU 56 53.641 2.236 -2.442 1535 2HD2 LEU 56 2HD2 LEU 56 54.251 1.029 -3.599 1536 3HD2 LEU 56 3HD2 LEU 56 54.599 0.852 -1.861 Start of MODEL 10 1 1H5* G 276 1H5* G 276 66.551 14.164 -23.625 2 2H5* G 276 2H5* G 276 66.376 12.409 -23.619 3 H4* G 276 H4* G 276 67.642 13.149 -21.692 4 H3* G 276 H3* G 276 64.966 11.891 -21.204 5 H2* G 276 H2* G 276 65.271 12.071 -18.851 6 2HO* G 276 2HO* G 276 67.350 12.209 -18.159 7 H1* G 276 H1* G 276 65.992 14.761 -18.959 8 H8 G 276 H8 G 276 63.378 14.232 -21.528 9 H1 G 276 H1 G 276 60.965 14.743 -15.545 10 1H2 G 276 1H2 G 276 62.500 14.645 -14.171 11 2H2 G 276 2H2 G 276 64.190 14.453 -14.581 12 1H5* G 277 1H5* G 277 67.370 10.092 -18.240 13 2H5* G 277 2H5* G 277 67.246 8.354 -18.512 14 H4* G 277 H4* G 277 66.749 8.760 -16.227 15 H3* G 277 H3* G 277 64.334 8.068 -17.881 16 H2* G 277 H2* G 277 63.004 8.050 -15.916 17 2HO* G 277 2HO* G 277 64.889 7.079 -14.797 18 H1* G 277 H1* G 277 64.170 10.482 -14.990 19 H8 G 277 H8 G 277 63.284 10.796 -18.568 20 H1 G 277 H1 G 277 58.197 11.576 -14.644 21 1H2 G 277 1H2 G 277 58.708 11.000 -12.732 22 2H2 G 277 2H2 G 277 60.280 10.396 -12.261 23 1H5* C 278 1H5* C 278 64.795 5.088 -14.811 24 2H5* C 278 2H5* C 278 64.168 3.498 -15.240 25 H4* C 278 H4* C 278 63.060 4.470 -13.270 26 H3* C 278 H3* C 278 61.411 3.868 -15.718 27 H2* C 278 H2* C 278 59.447 4.412 -14.502 28 2HO* C 278 2HO* C 278 61.321 4.606 -12.321 29 H1* C 278 H1* C 278 60.538 6.784 -13.463 30 1H4 C 278 1H4 C 278 57.183 8.554 -18.615 31 2H4 C 278 2H4 C 278 58.602 8.272 -19.598 32 H5 C 278 H5 C 278 60.604 7.324 -18.778 33 H6 C 278 H6 C 278 61.747 6.404 -16.793 34 1H5* G 279 1H5* G 279 59.947 1.040 -12.492 35 2H5* G 279 2H5* G 279 59.284 -0.385 -13.291 36 H4* G 279 H4* G 279 57.637 0.741 -11.869 37 H3* G 279 H3* G 279 57.100 0.618 -14.832 38 H2* G 279 H2* G 279 54.926 1.499 -14.434 39 2HO* G 279 2HO* G 279 54.684 1.904 -11.909 40 H1* G 279 H1* G 279 55.923 3.536 -12.748 41 H8 G 279 H8 G 279 58.222 3.298 -15.610 42 H1 G 279 H1 G 279 52.749 6.419 -17.095 43 1H2 G 279 1H2 G 279 51.369 6.144 -15.587 44 2H2 G 279 2H2 G 279 51.652 5.207 -14.138 45 1H5* G 280 1H5* G 280 53.430 -2.111 -13.364 46 2H5* G 280 2H5* G 280 53.455 -3.120 -14.810 47 H4* G 280 H4* G 280 51.293 -1.926 -14.336 48 H3* G 280 H3* G 280 52.709 -1.703 -16.977 49 H2* G 280 H2* G 280 50.915 -0.408 -17.837 50 2HO* G 280 2HO* G 280 48.958 -0.619 -16.822 51 H1* G 280 H1* G 280 50.824 1.307 -15.643 52 H8 G 280 H8 G 280 54.398 0.613 -16.115 53 H1 G 280 H1 G 280 52.107 4.768 -20.516 54 1H2 G 280 1H2 G 280 50.046 4.775 -20.450 55 2H2 G 280 2H2 G 280 49.082 3.800 -19.363 56 1H5* U 281 1H5* U 281 49.324 -2.215 -17.963 57 2H5* U 281 2H5* U 281 48.739 -3.722 -18.669 58 H4* U 281 H4* U 281 47.856 -2.215 -20.135 59 H3* U 281 H3* U 281 50.583 -2.904 -21.234 60 H2* U 281 H2* U 281 50.089 -1.594 -23.142 61 2HO* U 281 2HO* U 281 47.967 -2.205 -23.448 62 H1* U 281 H1* U 281 48.955 0.496 -21.574 63 H3 U 281 H3 U 281 52.585 2.356 -23.615 64 H5 U 281 H5 U 281 54.182 0.112 -20.460 65 H6 U 281 H6 U 281 51.935 -0.802 -20.104 66 2HO* AP7 282 2HO* A 282 49.251 -2.951 -28.905 67 H2* AP7 282 H2* A 282 51.256 -2.544 -27.718 68 H3* AP7 282 H3* A 282 50.695 -4.330 -26.272 69 H4* AP7 282 H4* A 282 47.818 -3.435 -26.329 70 H1* AP7 282 H1* A 282 49.616 -0.709 -26.264 71 H8 AP7 282 H8 A 282 51.915 -2.934 -24.262 72 H2 AP7 282 H2 A 282 52.636 2.718 -27.241 73 H1 AP7 282 H1 A 282 54.580 2.668 -26.094 74 1H6 AP7 282 1H6 A 282 56.089 1.689 -24.642 75 2H6 AP7 282 2H6 A 282 55.754 0.140 -23.904 76 2H5* AP7 282 2H5* A 282 48.310 -5.542 -25.207 77 1H5* AP7 282 1H5* A 282 47.707 -4.327 -24.079 78 1H5* C 283 1H5* C 283 49.622 -4.708 -30.554 79 2H5* C 283 2H5* C 283 50.875 -5.634 -31.380 80 H4* C 283 H4* C 283 50.792 -3.171 -31.897 81 H3* C 283 H3* C 283 53.290 -4.574 -31.010 82 H2* C 283 H2* C 283 54.533 -2.565 -31.213 83 2HO* C 283 2HO* C 283 53.582 -1.772 -33.075 84 H1* C 283 H1* C 283 52.543 -1.045 -29.875 85 1H4 C 283 1H4 C 283 57.166 -2.236 -25.595 86 2H4 C 283 2H4 C 283 56.273 -3.659 -25.106 87 H5 C 283 H5 C 283 54.344 -4.448 -26.217 88 H6 C 283 H6 C 283 52.781 -4.061 -28.089 89 1H5* U 284 1H5* U 284 54.422 -2.646 -34.662 90 2H5* U 284 2H5* U 284 55.099 -3.851 -35.758 91 H4* U 284 H4* U 284 56.648 -2.071 -35.660 92 H3* U 284 H3* U 284 57.531 -4.487 -34.101 93 H2* U 284 H2* U 284 59.604 -3.426 -33.635 94 2HO* U 284 2HO* U 284 59.575 -2.509 -35.815 95 H1* U 284 H1* U 284 58.425 -1.028 -32.830 96 H3 U 284 H3 U 284 59.935 -2.862 -28.957 97 H5 U 284 H5 U 284 56.422 -4.982 -29.795 98 H6 U 284 H6 U 284 56.360 -3.831 -31.959 99 1H5* A 285 1H5* A 285 61.220 -3.825 -37.001 100 2H5* A 285 2H5* A 285 61.712 -5.516 -37.062 101 H4* A 285 H4* A 285 63.371 -3.787 -36.144 102 H3* A 285 H3* A 285 62.742 -6.418 -34.822 103 H2* A 285 H2* A 285 64.433 -5.990 -33.211 104 2HO* A 285 2HO* A 285 64.975 -3.543 -34.595 105 H1* A 285 H1* A 285 63.565 -3.360 -32.741 106 H8 A 285 H8 A 285 60.539 -5.435 -33.115 107 1H6 A 285 1H6 A 285 61.217 -7.101 -27.138 108 2H6 A 285 2H6 A 285 60.129 -7.145 -28.506 109 H2 A 285 H2 A 285 64.911 -4.991 -28.421 110 1H5* G 286 1H5* G 286 66.992 -6.217 -35.123 111 2H5* G 286 2H5* G 286 67.606 -7.788 -35.638 112 H4* G 286 H4* G 286 68.698 -7.164 -33.605 113 H3* G 286 H3* G 286 66.705 -9.406 -33.297 114 H2* G 286 H2* G 286 67.457 -9.711 -31.066 115 2HO* G 286 2HO* G 286 69.663 -9.276 -31.801 116 H1* G 286 H1* G 286 67.402 -6.926 -30.536 117 H8 G 286 H8 G 286 64.331 -7.805 -32.377 118 H1 G 286 H1 G 286 64.015 -9.397 -26.113 119 1H2 G 286 1H2 G 286 65.890 -9.249 -25.268 120 2H2 G 286 2H2 G 286 67.334 -8.765 -26.131 121 1H5* U 287 1H5* U 287 70.517 -11.003 -32.328 122 2H5* U 287 2H5* U 287 70.673 -12.743 -32.563 123 H4* U 287 H4* U 287 70.882 -12.061 -30.206 124 H3* U 287 H3* U 287 68.610 -13.894 -30.969 125 H2* U 287 H2* U 287 68.139 -14.189 -28.665 126 2HO* U 287 2HO* U 287 69.775 -13.668 -27.194 127 H1* U 287 H1* U 287 68.435 -11.408 -28.127 128 H3 U 287 H3 U 287 64.082 -12.460 -27.185 129 H5 U 287 H5 U 287 64.213 -12.022 -31.348 130 H6 U 287 H6 U 287 66.654 -11.890 -31.159 131 1H5* U 288 1H5* U 288 70.624 -15.734 -28.230 132 2H5* U 288 2H5* U 288 71.106 -17.421 -28.420 133 H4* U 288 H4* U 288 69.858 -17.472 -26.482 134 H3* U 288 H3* U 288 68.025 -18.179 -28.774 135 H2* U 288 H2* U 288 66.322 -18.660 -27.199 136 2HO* U 288 2HO* U 288 67.958 -19.645 -25.806 137 H1* U 288 H1* U 288 66.896 -16.322 -25.680 138 H3 U 288 H3 U 288 62.657 -15.683 -27.217 139 H5 U 288 H5 U 288 65.095 -14.916 -30.533 140 H6 U 288 H6 U 288 66.989 -15.732 -29.207 141 1H5* G 289 1H5* G 289 67.309 -21.881 -26.328 142 2H5* G 289 2H5* G 289 67.098 -23.037 -27.643 143 H4* G 289 H4* G 289 65.099 -22.754 -26.190 144 H3* G 289 H3* G 289 64.936 -22.258 -29.150 145 H2* G 289 H2* G 289 62.598 -21.894 -28.969 146 2HO* G 289 2HO* G 289 61.712 -22.308 -26.741 147 H1* G 289 H1* G 289 62.942 -20.233 -26.673 148 H8 G 289 H8 G 289 65.289 -19.515 -29.515 149 H1 G 289 H1 G 289 59.613 -16.436 -29.954 150 1H2 G 289 1H2 G 289 58.324 -17.160 -28.518 151 2H2 G 289 2H2 G 289 58.721 -18.415 -27.365 152 1H5* A 290 1H5* A 290 63.957 -23.895 -32.071 153 2H5* A 290 2H5* A 290 63.266 -22.361 -31.542 154 H4* A 290 H4* A 290 62.017 -23.355 -33.401 155 H3* A 290 H3* A 290 60.607 -22.996 -30.765 156 H2* A 290 H2* A 290 58.585 -23.711 -31.755 157 2HO* A 290 2HO* A 290 58.520 -22.885 -33.765 158 H1* A 290 H1* A 290 59.915 -25.818 -33.180 159 H8 A 290 H8 A 290 61.092 -26.343 -29.852 160 1H6 A 290 1H6 A 290 55.542 -28.708 -28.253 161 2H6 A 290 2H6 A 290 57.212 -28.548 -27.754 162 H2 A 290 H2 A 290 55.096 -26.632 -32.156 163 1H5* G 291 1H5* G 291 56.975 -22.463 -32.346 164 2H5* G 291 2H5* G 291 56.724 -20.772 -31.912 165 H4* G 291 H4* G 291 55.108 -22.260 -30.831 166 H3* G 291 H3* G 291 56.991 -20.670 -29.118 167 H2* G 291 H2* G 291 55.909 -21.476 -27.156 168 2HO* G 291 2HO* G 291 54.173 -22.693 -29.109 169 H1* G 291 H1* G 291 56.050 -24.139 -27.936 170 H8 G 291 H8 G 291 58.988 -21.972 -28.968 171 H1 G 291 H1 G 291 59.649 -24.861 -23.214 172 1H2 G 291 1H2 G 291 57.881 -25.791 -22.704 173 2H2 G 291 2H2 G 291 56.434 -25.788 -23.687 174 1H5* A 292 1H5* A 292 52.914 -18.189 -29.814 175 2H5* A 292 2H5* A 292 53.079 -16.645 -28.977 176 H4* A 292 H4* A 292 51.985 -18.488 -27.667 177 H3* A 292 H3* A 292 54.392 -17.016 -26.606 178 H2* A 292 H2* A 292 54.137 -18.151 -24.538 179 2HO* A 292 2HO* A 292 51.793 -17.948 -24.767 180 H1* A 292 H1* A 292 53.777 -20.659 -25.775 181 H8 A 292 H8 A 292 56.395 -18.164 -27.010 182 1H6 A 292 1H6 A 292 60.481 -21.548 -23.724 183 2H6 A 292 2H6 A 292 60.320 -20.200 -24.827 184 H2 A 292 H2 A 292 56.415 -23.180 -22.988 185 1H5* A 293 1H5* A 293 52.917 -17.089 -22.761 186 2H5* A 293 2H5* A 293 53.367 -15.445 -22.308 187 H4* A 293 H4* A 293 54.714 -17.343 -21.291 188 H3* A 293 H3* A 293 55.941 -14.952 -22.634 189 H2* A 293 H2* A 293 58.111 -15.736 -22.077 190 2HO* A 293 2HO* A 293 57.233 -16.490 -20.004 191 H1* A 293 H1* A 293 57.658 -18.320 -22.996 192 H8 A 293 H8 A 293 55.807 -16.172 -25.336 193 1H6 A 293 1H6 A 293 61.205 -15.051 -28.260 194 2H6 A 293 2H6 A 293 59.468 -14.873 -28.373 195 H2 A 293 H2 A 293 62.105 -17.079 -24.411 196 1H5* A 294 1H5* A 294 58.150 -15.394 -18.607 197 2H5* A 294 2H5* A 294 58.196 -13.700 -18.123 198 H4* A 294 H4* A 294 60.413 -14.769 -18.108 199 H3* A 294 H3* A 294 59.924 -12.422 -19.925 200 H2* A 294 H2* A 294 62.219 -12.420 -20.533 201 2HO* A 294 2HO* A 294 63.476 -14.196 -19.291 202 H1* A 294 H1* A 294 62.294 -15.172 -21.018 203 H8 A 294 H8 A 294 59.007 -13.945 -22.195 204 1H6 A 294 1H6 A 294 61.820 -12.245 -27.501 205 2H6 A 294 2H6 A 294 60.267 -12.459 -26.725 206 H2 A 294 H2 A 294 64.959 -13.338 -24.551 207 1H5* C 295 1H5* C 295 63.025 -11.871 -17.750 208 2H5* C 295 2H5* C 295 63.471 -10.377 -16.926 209 H4* C 295 H4* C 295 65.266 -10.797 -18.343 210 H3* C 295 H3* C 295 63.418 -8.787 -19.624 211 H2* C 295 H2* C 295 64.997 -8.507 -21.372 212 2HO* C 295 2HO* C 295 66.829 -10.356 -20.397 213 H1* C 295 H1* C 295 65.396 -11.293 -21.654 214 1H4 C 295 1H4 C 295 61.292 -9.751 -26.299 215 2H4 C 295 2H4 C 295 59.981 -9.813 -25.142 216 H5 C 295 H5 C 295 60.287 -10.145 -22.824 217 H6 C 295 H6 C 295 61.943 -10.503 -21.027 218 1H5* U 296 1H5* U 296 67.199 -6.819 -19.092 219 2H5* U 296 2H5* U 296 67.033 -5.093 -18.773 220 H4* U 296 H4* U 296 68.336 -5.441 -20.770 221 H3* U 296 H3* U 296 65.611 -4.224 -21.187 222 H2* U 296 H2* U 296 66.140 -3.885 -23.471 223 2HO* U 296 2HO* U 296 68.738 -4.773 -22.595 224 H1* U 296 H1* U 296 67.258 -6.487 -23.730 225 H3 U 296 H3 U 296 63.603 -6.314 -26.488 226 H5 U 296 H5 U 296 62.056 -7.082 -22.673 227 H6 U 296 H6 U 296 64.303 -6.661 -21.786 228 1H5* A 297 1H5* A 297 68.592 -1.682 -22.624 229 2H5* A 297 2H5* A 297 68.301 0.053 -22.514 230 H4* A 297 H4* A 297 68.659 -0.526 -24.807 231 H3* A 297 H3* A 297 65.836 0.242 -24.113 232 H2* A 297 H2* A 297 65.241 0.111 -26.411 233 2HO* A 297 2HO* A 297 66.894 0.261 -27.883 234 H1* A 297 H1* A 297 66.517 -2.393 -26.725 235 H8 A 297 H8 A 297 64.720 -2.482 -23.515 236 1H6 A 297 1H6 A 297 59.525 -3.833 -26.699 237 2H6 A 297 2H6 A 297 60.227 -3.755 -25.098 238 H2 A 297 H2 A 297 62.651 -2.590 -29.602 239 1H5* G 298 1H5* G 298 66.759 2.520 -28.070 240 2H5* G 298 2H5* G 298 66.215 4.096 -27.496 241 H4* G 298 H4* G 298 65.124 3.487 -29.584 242 H3* G 298 H3* G 298 63.421 3.775 -27.130 243 H2* G 298 H2* G 298 61.462 3.373 -28.413 244 2HO* G 298 2HO* G 298 62.608 2.893 -30.840 245 H1* G 298 H1* G 298 62.637 1.133 -29.704 246 H8 G 298 H8 G 298 63.436 0.915 -26.117 247 H1 G 298 H1 G 298 57.373 -0.938 -27.418 248 1H2 G 298 1H2 G 298 56.886 -0.399 -29.347 249 2H2 G 298 2H2 G 298 57.962 0.431 -30.449 250 1H5* C 299 1H5* C 299 61.641 5.588 -29.746 251 2H5* C 299 2H5* C 299 61.057 7.247 -29.621 252 H4* C 299 H4* C 299 59.184 5.858 -30.061 253 H3* C 299 H3* C 299 59.307 6.897 -27.246 254 H2* C 299 H2* C 299 57.262 5.844 -26.731 255 2HO* C 299 2HO* C 299 57.225 5.386 -29.575 256 H1* C 299 H1* C 299 58.010 3.481 -28.207 257 1H4 C 299 1H4 C 299 58.239 1.877 -22.013 258 2H4 C 299 2H4 C 299 59.876 2.490 -21.954 259 H5 C 299 H5 C 299 60.920 3.625 -23.743 260 H6 C 299 H6 C 299 60.649 4.460 -26.051 261 1H5* U 300 1H5* U 300 55.819 7.367 -29.599 262 2H5* U 300 2H5* U 300 54.962 8.905 -29.498 263 H4* U 300 H4* U 300 53.291 7.271 -29.415 264 H3* U 300 H3* U 300 53.897 8.351 -26.674 265 H2* U 300 H2* U 300 52.158 7.026 -25.764 266 2HO* U 300 2HO* U 300 50.725 7.390 -27.499 267 H1* U 300 H1* U 300 52.921 4.695 -27.078 268 H3 U 300 H3 U 300 54.316 3.734 -22.902 269 H5 U 300 H5 U 300 56.991 6.706 -24.147 270 H6 U 300 H6 U 300 55.632 6.942 -26.174 271 1H5* C 301 1H5* C 301 49.790 9.670 -27.494 272 2H5* C 301 2H5* C 301 49.266 10.916 -26.361 273 H4* C 301 H4* C 301 48.189 8.728 -25.982 274 H3* C 301 H3* C 301 49.827 10.001 -23.813 275 H2* C 301 H2* C 301 49.323 8.227 -22.336 276 2HO* C 301 2HO* C 301 47.548 7.471 -24.476 277 H1* C 301 H1* C 301 49.739 6.267 -24.387 278 1H4 C 301 1H4 C 301 54.867 5.919 -20.579 279 2H4 C 301 2H4 C 301 55.583 7.242 -21.472 280 H5 C 301 H5 C 301 54.456 8.456 -23.155 281 H6 C 301 H6 C 301 52.344 8.703 -24.409 282 1H5* U 302 1H5* U 302 46.788 8.967 -22.157 283 2H5* U 302 2H5* U 302 45.650 10.006 -21.299 284 H4* U 302 H4* U 302 46.163 8.684 -19.558 285 H3* U 302 H3* U 302 48.435 10.658 -19.586 286 H2* U 302 H2* U 302 49.353 9.589 -17.666 287 2HO* U 302 2HO* U 302 47.214 9.230 -16.800 288 H1* U 302 H1* U 302 49.082 7.024 -18.789 289 H3 U 302 H3 U 302 53.546 7.267 -19.105 290 H5 U 302 H5 U 302 52.282 10.433 -21.539 291 H6 U 302 H6 U 302 49.987 9.922 -20.841 292 1H5* G 303 1H5* G 303 46.728 10.867 -15.822 293 2H5* G 303 2H5* G 303 46.880 12.381 -14.931 294 H4* G 303 H4* G 303 48.178 10.739 -13.805 295 H3* G 303 H3* G 303 49.880 12.715 -15.331 296 H2* G 303 H2* G 303 51.786 11.786 -14.294 297 2HO* G 303 2HO* G 303 50.962 9.999 -12.610 298 H1* G 303 H1* G 303 50.744 9.117 -14.582 299 H8 G 303 H8 G 303 50.664 11.064 -17.752 300 H1 G 303 H1 G 303 56.410 8.329 -16.575 301 1H2 G 303 1H2 G 303 56.443 7.599 -14.646 302 2H2 G 303 2H2 G 303 55.112 7.711 -13.517 303 1H5* U 304 1H5* U 304 50.458 13.220 -10.998 304 2H5* U 304 2H5* U 304 51.125 14.791 -10.552 305 H4* U 304 H4* U 304 52.554 12.893 -9.885 306 H3* U 304 H3* U 304 53.606 15.007 -11.733 307 H2* U 304 H2* U 304 55.733 13.958 -11.783 308 2HO* U 304 2HO* U 304 55.745 11.923 -10.296 309 H1* U 304 H1* U 304 54.609 11.388 -12.191 310 H3 U 304 H3 U 304 57.005 12.451 -15.954 311 H5 U 304 H5 U 304 53.298 14.339 -16.442 312 H6 U 304 H6 U 304 52.796 13.735 -14.119 313 1H5* A 305 1H5* A 305 54.617 15.198 -7.421 314 2H5* A 305 2H5* A 305 54.700 16.651 -6.425 315 H4* A 305 H4* A 305 56.920 16.274 -6.678 316 H3* A 305 H3* A 305 56.129 17.945 -9.048 317 H2* A 305 H2* A 305 58.360 17.909 -9.835 318 2HO* A 305 2HO* A 305 59.757 16.561 -8.118 319 H1* A 305 H1* A 305 58.615 15.114 -9.265 320 H8 A 305 H8 A 305 55.650 16.595 -11.158 321 1H6 A 305 1H6 A 305 58.608 14.716 -16.323 322 2H6 A 305 2H6 A 305 57.134 15.437 -15.717 323 H2 A 305 H2 A 305 61.251 13.920 -12.840 324 1H5* U 306 1H5* U 306 53.846 18.174 -5.435 325 2H5* U 306 2H5* U 306 53.501 19.848 -5.870 326 H4* U 306 H4* U 306 53.204 18.824 -3.389 327 H3* U 306 H3* U 306 53.721 21.645 -4.298 328 H2* U 306 H2* U 306 54.044 22.337 -2.131 329 2HO* U 306 2HO* U 306 52.108 21.780 -1.264 330 H1* U 306 H1* U 306 54.647 19.514 -1.329 331 H3 U 306 H3 U 306 58.188 20.684 1.111 332 H5 U 306 H5 U 306 58.191 23.610 -1.886 333 H6 U 306 H6 U 306 56.218 22.502 -2.830 334 1H5* C 307 1H5* C 307 50.045 20.851 -1.094 335 2H5* C 307 2H5* C 307 49.000 21.217 -2.467 336 H4* C 307 H4* C 307 48.598 21.967 0.166 337 H3* C 307 H3* C 307 47.330 22.709 -2.436 338 H2* C 307 H2* C 307 46.112 24.478 -1.419 339 2HO* C 307 2HO* C 307 46.549 24.607 1.026 340 H1* C 307 H1* C 307 48.344 25.548 -0.135 341 1H4 C 307 1H4 C 307 47.791 28.607 -5.750 342 2H4 C 307 2H4 C 307 49.001 27.519 -6.390 343 H5 C 307 H5 C 307 49.853 25.658 -5.211 344 H6 C 307 H6 C 307 49.753 24.371 -3.105 345 1H5* U 308 1H5* U 308 42.527 19.552 -1.409 346 2H5* U 308 2H5* U 308 42.787 20.754 -0.145 347 H4* U 308 H4* U 308 42.425 18.113 0.304 348 H3* U 308 H3* U 308 43.826 20.215 1.936 349 H2* U 308 H2* U 308 44.603 18.625 3.418 350 2HO* U 308 2HO* U 308 42.349 17.946 3.622 351 H1* U 308 H1* U 308 44.441 16.551 1.285 352 H3 U 308 H3 U 308 48.697 15.227 1.671 353 H5 U 308 H5 U 308 48.784 19.045 3.390 354 H6 U 308 H6 U 308 46.420 19.267 2.777 355 1H5* G 309 1H5* G 309 41.067 19.405 4.169 356 2H5* G 309 2H5* G 309 39.395 19.751 4.611 357 H4* G 309 H4* G 309 40.305 20.760 6.387 358 H3* G 309 H3* G 309 40.764 22.861 4.262 359 H2* G 309 H2* G 309 41.705 24.246 5.918 360 2HO* G 309 2HO* G 309 40.130 23.848 7.485 361 H1* G 309 H1* G 309 43.026 22.001 7.164 362 H8 G 309 H8 G 309 43.309 22.865 3.458 363 H1 G 309 H1 G 309 48.192 24.964 7.150 364 1H2 G 309 1H2 G 309 47.775 24.572 9.132 365 2H2 G 309 2H2 G 309 46.319 23.792 9.707 366 1H5* G 310 1H5* G 310 40.598 25.655 6.784 367 2H5* G 310 2H5* G 310 38.858 25.499 7.029 368 H4* G 310 H4* G 310 40.250 27.854 6.856 369 H3* G 310 H3* G 310 37.319 27.235 6.478 370 H2* G 310 H2* G 310 36.934 29.547 6.115 371 2HO* G 310 2HO* G 310 39.222 30.743 6.349 372 H1* G 310 H1* G 310 39.209 29.762 4.410 373 H8 G 310 H8 G 310 37.452 26.780 3.291 374 H1 G 310 H1 G 310 34.379 32.177 1.475 375 1H2 G 310 1H2 G 310 35.149 33.789 2.505 376 2H2 G 310 2H2 G 310 36.437 33.691 3.686 377 1H5* C 311 1H5* C 311 37.720 30.040 9.385 378 2H5* C 311 2H5* C 311 36.876 29.868 10.922 379 H4* C 311 H4* C 311 36.264 31.981 10.159 380 H3* C 311 H3* C 311 34.088 29.991 9.528 381 H2* C 311 H2* C 311 32.720 31.786 8.785 382 2HO* C 311 2HO* C 311 34.921 33.385 9.735 383 H1* C 311 H1* C 311 34.832 32.928 7.278 384 1H4 C 311 1H4 C 311 31.164 29.692 3.137 385 2H4 C 311 2H4 C 311 32.189 28.298 3.393 386 H5 C 311 H5 C 311 33.907 28.208 5.013 387 H6 C 311 H6 C 311 35.075 29.446 6.802 388 1H5* G 312 1H5* G 312 31.691 33.336 12.287 389 2H5* G 312 2H5* G 312 30.225 32.355 12.294 390 H4* G 312 H4* G 312 30.475 34.732 11.028 391 H3* G 312 H3* G 312 28.637 32.410 10.565 392 H2* G 312 H2* G 312 27.699 33.489 8.663 393 2HO* G 312 2HO* G 312 28.423 35.719 8.293 394 H1* G 312 H1* G 312 30.140 34.033 7.486 395 H8 G 312 H8 G 312 30.983 30.872 8.977 396 H1 G 312 H1 G 312 26.754 30.074 4.144 397 1H2 G 312 1H2 G 312 25.926 31.897 3.646 398 2H2 G 312 2H2 G 312 26.319 33.414 4.422 399 1H5* G 313 1H5* G 313 26.522 35.852 9.057 400 2H5* G 313 2H5* G 313 25.109 35.879 10.111 401 H4* G 313 H4* G 313 24.360 35.986 7.849 402 H3* G 313 H3* G 313 23.824 33.368 9.225 403 H2* G 313 H2* G 313 22.651 32.595 7.316 404 2HO* G 313 2HO* G 313 21.601 34.509 6.805 405 H1* G 313 H1* G 313 24.610 33.370 5.504 406 H8 G 313 H8 G 313 26.106 32.197 8.747 407 H1 G 313 H1 G 313 24.830 27.431 4.560 408 1H2 G 313 1H2 G 313 23.741 28.178 2.976 409 2H2 G 313 2H2 G 313 23.247 29.848 2.807 410 1H5* A 314 1H5* A 314 20.039 35.093 7.833 411 2H5* A 314 2H5* A 314 18.637 34.307 8.557 412 H4* A 314 H4* A 314 18.893 33.962 6.096 413 H3* A 314 H3* A 314 18.707 31.635 7.992 414 H2* A 314 H2* A 314 18.690 30.137 6.153 415 2HO* A 314 2HO* A 314 18.777 31.442 3.983 416 H1* A 314 H1* A 314 20.868 31.300 4.886 417 H8 A 314 H8 A 314 21.120 31.384 8.651 418 1H6 A 314 1H6 A 314 24.017 25.876 8.193 419 2H6 A 314 2H6 A 314 23.577 27.157 9.298 420 H2 A 314 H2 A 314 22.476 26.974 4.173 421 1H5* C 315 1H5* C 315 17.181 29.942 4.638 422 2H5* C 315 2H5* C 315 15.520 29.547 5.081 423 H4* C 315 H4* C 315 16.995 27.637 4.299 424 H3* C 315 H3* C 315 14.903 27.558 6.080 425 H2* C 315 H2* C 315 16.188 27.473 8.051 426 2HO* C 315 2HO* C 315 16.293 25.055 8.369 427 H1* C 315 H1* C 315 18.236 25.639 6.787 428 1H4 C 315 1H4 C 315 22.007 27.974 11.333 429 2H4 C 315 2H4 C 315 21.067 29.447 11.415 430 H5 C 315 H5 C 315 19.188 29.887 10.054 431 H6 C 315 H6 C 315 17.733 29.011 8.260 432 1H5* C 316 1H5* C 316 13.911 26.047 2.467 433 2H5* C 316 2H5* C 316 12.999 24.587 2.086 434 H4* C 316 H4* C 316 14.581 24.741 0.384 435 H3* C 316 H3* C 316 15.542 22.793 2.481 436 H2* C 316 H2* C 316 17.341 22.221 1.051 437 2HO* C 316 2HO* C 316 17.147 23.425 -1.148 438 H1* C 316 H1* C 316 17.856 24.941 0.399 439 1H4 C 316 1H4 C 316 22.307 23.459 4.728 440 2H4 C 316 2H4 C 316 21.119 23.642 6.000 441 H5 C 316 H5 C 316 18.827 24.056 5.611 442 H6 C 316 H6 C 316 17.092 24.401 3.888 443 1H5* C 317 1H5* C 317 14.717 20.624 -1.145 444 2H5* C 317 2H5* C 317 14.175 18.960 -0.933 445 H4* C 317 H4* C 317 16.164 18.889 -2.214 446 H3* C 317 H3* C 317 16.594 18.028 0.643 447 H2* C 317 H2* C 317 18.807 17.390 0.078 448 2HO* C 317 2HO* C 317 18.050 18.101 -2.606 449 H1* C 317 H1* C 317 19.284 19.775 -1.365 450 1H4 C 317 1H4 C 317 21.951 20.811 4.340 451 2H4 C 317 2H4 C 317 20.372 21.165 5.006 452 H5 C 317 H5 C 317 18.355 20.939 3.799 453 H6 C 317 H6 C 317 17.345 20.309 1.635 454 1H5* G 318 1H5* G 318 17.844 15.067 -1.783 455 2H5* G 318 2H5* G 318 17.126 13.475 -1.539 456 H4* G 318 H4* G 318 19.401 13.037 -1.616 457 H3* G 318 H3* G 318 18.494 13.204 1.247 458 H2* G 318 H2* G 318 20.678 12.622 1.970 459 2HO* G 318 2HO* G 318 22.004 12.426 -0.357 460 H1* G 318 H1* G 318 21.943 14.470 0.301 461 H8 G 318 H8 G 318 18.680 15.693 1.751 462 H1 G 318 H1 G 318 23.844 16.811 5.489 463 1H2 G 318 1H2 G 318 25.486 15.844 4.702 464 2H2 G 318 2H2 G 318 25.467 14.874 3.247 465 1H5* U 319 1H5* U 319 19.722 10.093 1.405 466 2H5* U 319 2H5* U 319 19.236 8.581 2.172 467 H4* U 319 H4* U 319 19.948 11.149 3.360 468 H3* U 319 H3* U 319 19.880 8.274 4.251 469 H2* U 319 H2* U 319 20.147 9.006 6.507 470 2HO* U 319 2HO* U 319 21.543 10.756 5.701 471 H1* U 319 H1* U 319 18.084 10.918 6.232 472 H3 U 319 H3 U 319 15.741 8.192 8.891 473 H5 U 319 H5 U 319 16.723 5.687 5.682 474 H6 U 319 H6 U 319 18.008 7.555 4.746 475 1H5* G 320 1H5* G 320 22.720 11.051 3.224 476 2H5* G 320 2H5* G 320 23.125 11.406 1.545 477 H4* G 320 H4* G 320 25.297 10.068 2.025 478 H3* G 320 H3* G 320 24.163 10.196 4.741 479 H2* G 320 H2* G 320 26.101 11.112 5.750 480 2HO* G 320 2HO* G 320 27.087 9.905 3.564 481 H1* G 320 H1* G 320 26.398 13.193 4.010 482 H8 G 320 H8 G 320 22.797 12.891 3.819 483 H1 G 320 H1 G 320 24.653 15.219 9.566 484 1H2 G 320 1H2 G 320 26.681 14.932 9.803 485 2H2 G 320 2H2 G 320 27.723 14.173 8.620 486 1H5* G 321 1H5* G 321 28.287 9.030 5.338 487 2H5* G 321 2H5* G 321 28.204 7.528 6.259 488 H4* G 321 H4* G 321 29.684 9.064 7.364 489 H3* G 321 H3* G 321 27.106 8.452 8.766 490 H2* G 321 H2* G 321 27.733 9.818 10.603 491 2HO* G 321 2HO* G 321 30.045 10.821 10.099 492 H1* G 321 H1* G 321 28.579 11.920 8.875 493 H8 G 321 H8 G 321 25.351 10.854 7.575 494 H1 G 321 H1 G 321 24.712 14.292 13.022 495 1H2 G 321 1H2 G 321 26.549 14.471 13.941 496 2H2 G 321 2H2 G 321 28.041 13.793 13.328 497 1H5* U 322 1H5* U 322 29.873 6.253 11.546 498 2H5* U 322 2H5* U 322 28.824 5.205 12.500 499 H4* U 322 H4* U 322 29.693 7.334 13.600 500 H3* U 322 H3* U 322 26.810 6.484 13.618 501 H2* U 322 H2* U 322 26.247 8.342 14.958 502 2HO* U 322 2HO* U 322 28.275 7.939 16.154 503 H1* U 322 H1* U 322 28.013 10.048 13.424 504 H3 U 322 H3 U 322 23.911 12.062 13.264 505 H5 U 322 H5 U 322 23.657 8.886 10.546 506 H6 U 322 H6 U 322 25.829 8.122 11.388 507 1H5* G 323 1H5* G 323 28.000 6.252 18.146 508 2H5* G 323 2H5* G 323 27.422 4.625 18.505 509 H4* G 323 H4* G 323 26.508 5.938 20.193 510 H3* G 323 H3* G 323 24.494 5.371 18.048 511 H2* G 323 H2* G 323 22.827 6.581 19.245 512 2HO* G 323 2HO* G 323 24.951 6.768 21.183 513 H1* G 323 H1* G 323 24.394 8.835 19.572 514 H8 G 323 H8 G 323 25.307 7.303 16.305 515 H1 G 323 H1 G 323 19.919 10.877 16.039 516 1H2 G 323 1H2 G 323 19.321 11.365 17.950 517 2H2 G 323 2H2 G 323 20.154 10.878 19.409 518 1H5* G 324 1H5* G 324 20.845 2.949 18.851 519 2H5* G 324 2H5* G 324 21.211 3.654 17.276 520 H4* G 324 H4* G 324 20.348 5.811 18.832 521 H3* G 324 H3* G 324 19.051 3.373 19.818 522 H2* G 324 H2* G 324 16.831 4.029 19.347 523 2HO* G 324 2HO* G 324 17.576 6.492 18.232 524 H1* G 324 H1* G 324 17.203 4.723 16.755 525 H8 G 324 H8 G 324 19.840 2.314 16.743 526 H1 G 324 H1 G 324 14.125 -0.620 17.516 527 1H2 G 324 1H2 G 324 12.697 0.777 18.026 528 2H2 G 324 2H2 G 324 13.002 2.490 18.216 529 1H5* A 325 1H5* A 325 16.803 6.031 21.722 530 2H5* A 325 2H5* A 325 16.976 6.029 23.477 531 H4* A 325 H4* A 325 14.704 5.758 23.200 532 H3* A 325 H3* A 325 15.976 3.065 23.580 533 H2* A 325 H2* A 325 13.849 2.021 23.457 534 2HO* A 325 2HO* A 325 12.940 3.847 24.658 535 H1* A 325 H1* A 325 13.067 3.408 21.164 536 H8 A 325 H8 A 325 16.650 2.706 20.708 537 1H6 A 325 1H6 A 325 15.075 -3.042 18.856 538 2H6 A 325 2H6 A 325 16.392 -1.895 18.951 539 H2 A 325 H2 A 325 11.478 -1.112 20.610 540 1H5* A 326 1H5* A 326 13.847 2.828 27.878 541 2H5* A 326 2H5* A 326 14.620 1.289 28.258 542 H4* A 326 H4* A 326 12.048 1.455 27.694 543 H3* A 326 H3* A 326 13.992 -0.733 27.111 544 H2* A 326 H2* A 326 12.355 -1.974 25.902 545 2HO* A 326 2HO* A 326 10.171 -1.160 25.980 546 H1* A 326 H1* A 326 11.656 0.163 24.275 547 H8 A 326 H8 A 326 15.142 0.889 24.460 548 1H6 A 326 1H6 A 326 16.368 -3.993 20.771 549 2H6 A 326 2H6 A 326 17.040 -2.531 21.457 550 H2 A 326 H2 A 326 12.182 -4.358 22.216 551 1H5* C 327 1H5* C 327 10.672 -3.162 28.576 552 2H5* C 327 2H5* C 327 11.432 -4.279 29.708 553 H4* C 327 H4* C 327 10.268 -5.469 27.935 554 H3* C 327 H3* C 327 13.254 -5.755 28.092 555 H2* C 327 H2* C 327 13.198 -7.353 26.327 556 2HO* C 327 2HO* C 327 10.357 -6.962 26.609 557 H1* C 327 H1* C 327 11.650 -5.742 24.667 558 1H4 C 327 1H4 C 327 17.756 -4.453 23.203 559 2H4 C 327 2H4 C 327 17.686 -3.107 24.318 560 H5 C 327 H5 C 327 15.852 -2.667 25.738 561 H6 C 327 H6 C 327 13.610 -3.419 26.446 562 1H5* U 328 1H5* U 328 11.557 -9.641 28.079 563 2H5* U 328 2H5* U 328 12.265 -10.673 29.322 564 H4* U 328 H4* U 328 12.312 -11.744 27.133 565 H3* U 328 H3* U 328 14.933 -11.091 28.447 566 H2* U 328 H2* U 328 16.093 -12.195 26.680 567 2HO* U 328 2HO* U 328 14.789 -13.869 26.136 568 H1* U 328 H1* U 328 14.722 -10.819 24.684 569 H3 U 328 H3 U 328 19.162 -9.455 25.324 570 H5 U 328 H5 U 328 16.681 -6.694 27.265 571 H6 U 328 H6 U 328 14.831 -8.268 26.926 572 1H5* G 329 1H5* G 329 15.647 -15.466 28.672 573 2H5* G 329 2H5* G 329 16.616 -15.569 30.142 574 H4* G 329 H4* G 329 17.810 -16.089 27.987 575 H3* G 329 H3* G 329 18.829 -14.049 29.945 576 H2* G 329 H2* G 329 20.779 -13.753 28.621 577 2HO* G 329 2HO* G 329 21.327 -15.435 27.312 578 H1* G 329 H1* G 329 19.238 -13.600 26.229 579 H8 G 329 H8 G 329 17.528 -11.441 28.604 580 H1 G 329 H1 G 329 22.982 -8.730 26.417 581 1H2 G 329 1H2 G 329 24.121 -10.153 25.452 582 2H2 G 329 2H2 G 329 23.665 -11.832 25.264 583 1H5* U 330 1H5* U 330 21.022 -13.831 30.502 584 2H5* U 330 2H5* U 330 21.810 -15.407 30.422 585 H4* U 330 H4* U 330 22.190 -13.633 32.819 586 H3* U 330 H3* U 330 23.443 -13.257 30.119 587 H2* U 330 H2* U 330 25.534 -12.756 31.125 588 2HO* U 330 2HO* U 330 24.263 -13.103 33.667 589 H1* U 330 H1* U 330 25.523 -14.958 32.803 590 H3 U 330 H3 U 330 28.326 -15.273 29.038 591 H5 U 330 H5 U 330 24.899 -17.569 28.311 592 H6 U 330 H6 U 330 23.896 -16.517 30.287 593 1H5* G 331 1H5* G 331 26.243 -10.813 30.698 594 2H5* G 331 2H5* G 331 25.835 -9.580 29.504 595 H4* G 331 H4* G 331 27.763 -10.928 28.826 596 H3* G 331 H3* G 331 25.288 -10.942 27.140 597 H2* G 331 H2* G 331 26.310 -12.389 25.562 598 2HO* G 331 2HO* G 331 28.599 -11.955 27.254 599 H1* G 331 H1* G 331 27.233 -14.178 27.504 600 H8 G 331 H8 G 331 23.826 -12.739 28.245 601 H1 G 331 H1 G 331 23.723 -18.061 24.565 602 1H2 G 331 1H2 G 331 25.647 -18.555 24.014 603 2H2 G 331 2H2 G 331 27.076 -17.660 24.480 604 1H5* A 332 1H5* A 332 28.015 -7.936 24.437 605 2H5* A 332 2H5* A 332 27.045 -7.920 22.963 606 H4* A 332 H4* A 332 29.229 -9.370 23.153 607 H3* A 332 H3* A 332 26.669 -10.032 21.737 608 H2* A 332 H2* A 332 27.567 -12.123 21.037 609 2HO* A 332 2HO* A 332 29.681 -11.081 20.799 610 H1* A 332 H1* A 332 28.404 -12.843 23.585 611 H8 A 332 H8 A 332 25.226 -10.891 23.825 612 1H6 A 332 1H6 A 332 22.216 -16.288 22.953 613 2H6 A 332 2H6 A 332 22.011 -14.602 23.374 614 H2 A 332 H2 A 332 26.545 -16.978 22.229 615 1H5* A 333 1H5* A 333 27.086 -11.434 19.057 616 2H5* A 333 2H5* A 333 26.798 -10.377 17.675 617 H4* A 333 H4* A 333 25.128 -12.048 17.622 618 H3* A 333 H3* A 333 24.117 -9.374 18.534 619 H2* A 333 H2* A 333 21.910 -10.228 18.676 620 2HO* A 333 2HO* A 333 22.794 -12.790 17.839 621 H1* A 333 H1* A 333 22.614 -12.489 20.113 622 H8 A 333 H8 A 333 24.842 -9.664 21.123 623 1H6 A 333 1H6 A 333 20.407 -8.044 25.205 624 2H6 A 333 2H6 A 333 22.053 -7.730 24.701 625 H2 A 333 H2 A 333 18.766 -11.209 22.553 626 1H5* G 334 1H5* G 334 21.354 -11.574 15.507 627 2H5* G 334 2H5* G 334 20.153 -10.358 15.075 628 H4* G 334 H4* G 334 19.566 -12.508 16.524 629 H3* G 334 H3* G 334 18.376 -9.754 16.619 630 H2* G 334 H2* G 334 16.902 -10.436 18.361 631 2HO* G 334 2HO* G 334 17.996 -13.007 18.544 632 H1* G 334 H1* G 334 18.921 -11.525 19.921 633 H8 G 334 H8 G 334 20.758 -8.744 18.597 634 H1 G 334 H1 G 334 16.121 -6.696 22.620 635 1H2 G 334 1H2 G 334 14.785 -8.228 22.969 636 2H2 G 334 2H2 G 334 14.904 -9.829 22.275 637 1H5* U 335 1H5* U 335 15.168 -12.423 17.069 638 2H5* U 335 2H5* U 335 13.872 -11.938 15.975 639 H4* U 335 H4* U 335 13.080 -12.122 18.270 640 H3* U 335 H3* U 335 13.023 -9.425 16.958 641 H2* U 335 H2* U 335 12.002 -8.478 18.880 642 2HO* U 335 2HO* U 335 11.964 -11.234 19.718 643 H1* U 335 H1* U 335 13.821 -9.661 20.656 644 H3 U 335 H3 U 335 14.478 -5.087 20.456 645 H5 U 335 H5 U 335 16.947 -6.753 17.513 646 H6 U 335 H6 U 335 15.796 -8.885 17.894 647 1H5* U 336 1H5* U 336 8.819 -10.165 17.957 648 2H5* U 336 2H5* U 336 7.792 -9.392 16.749 649 H4* U 336 H4* U 336 7.367 -8.436 18.918 650 H3* U 336 H3* U 336 8.643 -6.663 16.872 651 H2* U 336 H2* U 336 8.660 -4.835 18.386 652 2HO* U 336 2HO* U 336 6.565 -5.564 19.210 653 H1* U 336 H1* U 336 9.723 -6.386 20.489 654 H3 U 336 H3 U 336 13.014 -3.425 19.407 655 H5 U 336 H5 U 336 13.250 -6.384 16.453 656 H6 U 336 H6 U 336 11.173 -7.318 17.361 657 1H5* C 337 1H5* C 337 5.508 -4.107 18.342 658 2H5* C 337 2H5* C 337 4.979 -3.145 16.962 659 H4* C 337 H4* C 337 6.014 -1.862 18.855 660 H3* C 337 H3* C 337 7.024 -1.632 16.033 661 H2* C 337 H2* C 337 8.610 -0.042 16.692 662 2HO* C 337 2HO* C 337 6.972 -0.013 19.059 663 H1* C 337 H1* C 337 8.997 -1.417 19.243 664 1H4 C 337 1H4 C 337 14.572 -1.799 16.109 665 2H4 C 337 2H4 C 337 13.967 -3.228 15.302 666 H5 C 337 H5 C 337 11.749 -4.013 15.504 667 H6 C 337 H6 C 337 9.543 -3.616 16.540 668 1H5* G 338 1H5* G 338 5.509 2.209 16.346 669 2H5* G 338 2H5* G 338 4.792 2.788 14.842 670 H4* G 338 H4* G 338 6.841 3.931 15.097 671 H3* G 338 H3* G 338 6.969 1.754 13.027 672 H2* G 338 H2* G 338 9.191 2.348 12.514 673 2HO* G 338 2HO* G 338 8.476 4.628 12.722 674 H1* G 338 H1* G 338 9.775 2.767 15.324 675 H8 G 338 H8 G 338 8.384 -0.596 14.767 676 H1 G 338 H1 G 338 14.670 -0.244 13.272 677 1H2 G 338 1H2 G 338 15.256 1.732 13.216 678 2H2 G 338 2H2 G 338 14.200 3.092 13.527 679 1H5* G 339 1H5* G 339 9.308 4.035 11.021 680 2H5* G 339 2H5* G 339 8.701 4.059 9.365 681 H4* G 339 H4* G 339 10.958 2.939 9.810 682 H3* G 339 H3* G 339 8.753 1.846 8.125 683 H2* G 339 H2* G 339 9.543 -0.276 8.337 684 2HO* G 339 2HO* G 339 12.214 0.420 7.965 685 H1* G 339 H1* G 339 11.831 0.882 10.006 686 H8 G 339 H8 G 339 12.871 -0.959 11.357 687 H1 G 339 H1 G 339 7.671 -4.770 10.807 688 1H2 G 339 1H2 G 339 6.187 -3.768 9.784 689 2H2 G 339 2H2 G 339 6.331 -2.137 9.167 690 1H5* A 340 1H5* A 340 11.195 5.487 7.099 691 2H5* A 340 2H5* A 340 12.659 6.092 7.877 692 H4* A 340 H4* A 340 10.181 7.040 8.359 693 H3* A 340 H3* A 340 12.652 7.023 10.063 694 H2* A 340 H2* A 340 11.457 8.082 11.828 695 2HO* A 340 2HO* A 340 8.997 8.312 10.984 696 H1* A 340 H1* A 340 9.298 6.260 11.594 697 H8 A 340 H8 A 340 12.203 4.114 11.396 698 1H6 A 340 1H6 A 340 12.886 4.614 17.580 699 2H6 A 340 2H6 A 340 13.399 3.722 16.165 700 H2 A 340 H2 A 340 9.986 7.706 16.247 701 1H5* A 341 1H5* A 341 10.409 10.656 10.616 702 2H5* A 341 2H5* A 341 11.542 11.989 10.840 703 H4* A 341 H4* A 341 9.943 11.710 12.709 704 H3* A 341 H3* A 341 12.901 11.491 13.244 705 H2* A 341 H2* A 341 12.444 11.395 15.569 706 2HO* A 341 2HO* A 341 10.716 13.003 15.180 707 H1* A 341 H1* A 341 10.371 9.514 15.256 708 H8 A 341 H8 A 341 13.141 8.590 12.979 709 1H6 A 341 1H6 A 341 15.832 5.723 17.826 710 2H6 A 341 2H6 A 341 15.902 5.943 16.092 711 H2 A 341 H2 A 341 12.428 8.137 19.354 712 1H5* C 342 1H5* C 342 11.879 14.614 15.337 713 2H5* C 342 2H5* C 342 12.764 16.138 15.277 714 H4* C 342 H4* C 342 12.876 15.192 17.496 715 H3* C 342 H3* C 342 15.432 15.341 15.938 716 H2* C 342 H2* C 342 16.649 14.470 17.790 717 2HO* C 342 2HO* C 342 15.099 15.688 19.183 718 H1* C 342 H1* C 342 14.962 12.304 18.152 719 1H4 C 342 1H4 C 342 19.529 10.449 14.032 720 2H4 C 342 2H4 C 342 18.363 10.682 12.748 721 H5 C 342 H5 C 342 16.233 11.650 13.066 722 H6 C 342 H6 C 342 14.681 12.643 14.709 723 1H5* A 343 1H5* A 343 16.577 17.000 19.405 724 2H5* A 343 2H5* A 343 17.440 18.525 19.209 725 H4* A 343 H4* A 343 18.837 16.935 20.358 726 H3* A 343 H3* A 343 19.699 17.702 17.584 727 H2* A 343 H2* A 343 21.683 16.415 17.843 728 2HO* A 343 2HO* A 343 21.823 17.061 20.091 729 H1* A 343 H1* A 343 20.329 14.158 18.759 730 H8 A 343 H8 A 343 18.266 15.864 16.160 731 1H6 A 343 1H6 A 343 21.511 12.646 11.909 732 2H6 A 343 2H6 A 343 20.125 13.687 12.145 733 H2 A 343 H2 A 343 23.462 12.086 15.862 734 1H5* C 344 1H5* C 344 23.065 19.586 19.966 735 2H5* C 344 2H5* C 344 23.624 20.919 18.955 736 H4* C 344 H4* C 344 25.315 19.147 19.277 737 H3* C 344 H3* C 344 24.368 19.841 16.512 738 H2* C 344 H2* C 344 25.953 18.328 15.582 739 2HO* C 344 2HO* C 344 26.973 17.302 17.898 740 H1* C 344 H1* C 344 25.216 16.260 17.352 741 1H4 C 344 1H4 C 344 21.949 15.006 12.015 742 2H4 C 344 2H4 C 344 20.772 16.222 12.457 743 H5 C 344 H5 C 344 20.987 17.640 14.334 744 H6 C 344 H6 C 344 22.398 18.246 16.267 745 1H5* C 345 1H5* C 345 28.910 20.721 16.082 746 2H5* C 345 2H5* C 345 28.928 21.418 14.463 747 H4* C 345 H4* C 345 29.860 18.989 14.979 748 H3* C 345 H3* C 345 28.443 19.946 12.494 749 H2* C 345 H2* C 345 28.833 17.827 11.506 750 2HO* C 345 2HO* C 345 30.141 16.726 13.697 751 H1* C 345 H1* C 345 28.049 16.436 13.848 752 1H4 C 345 1H4 C 345 23.086 16.388 9.764 753 2H4 C 345 2H4 C 345 22.416 17.716 10.684 754 H5 C 345 H5 C 345 23.571 18.831 12.416 755 H6 C 345 H6 C 345 25.676 18.949 13.703 756 1H5* C 346 1H5* C 346 31.105 17.799 10.982 757 2H5* C 346 2H5* C 346 32.156 18.637 9.841 758 H4* C 346 H4* C 346 31.276 16.788 8.682 759 H3* C 346 H3* C 346 29.842 19.329 7.899 760 H2* C 346 H2* C 346 28.742 18.119 6.202 761 2HO* C 346 2HO* C 346 30.637 16.074 6.930 762 H1* C 346 H1* C 346 28.458 15.827 7.955 763 1H4 C 346 1H4 C 346 22.592 18.266 7.055 764 2H4 C 346 2H4 C 346 22.857 19.268 8.464 765 H5 C 346 H5 C 346 24.920 19.419 9.603 766 H6 C 346 H6 C 346 27.262 18.636 9.671 767 1H5* G 347 1H5* G 347 32.528 18.083 4.540 768 2H5* G 347 2H5* G 347 32.943 19.416 3.463 769 H4* G 347 H4* G 347 31.800 17.602 2.286 770 H3* G 347 H3* G 347 30.466 20.292 2.410 771 H2* G 347 H2* G 347 28.745 19.501 0.970 772 2HO* G 347 2HO* G 347 30.432 17.167 0.908 773 H1* G 347 H1* G 347 28.400 17.135 2.476 774 H8 G 347 H8 G 347 28.729 19.709 5.013 775 H1 G 347 H1 G 347 23.003 20.058 2.021 776 1H2 G 347 1H2 G 347 23.047 18.906 0.312 777 2H2 G 347 2H2 G 347 24.430 17.981 -0.230 778 1H5* G 348 1H5* G 348 31.375 20.701 -1.961 779 2H5* G 348 2H5* G 348 31.050 22.420 -2.177 780 H4* G 348 H4* G 348 29.296 20.596 -2.882 781 H3* G 348 H3* G 348 28.708 23.259 -1.589 782 H2* G 348 H2* G 348 26.393 22.840 -1.910 783 2HO* G 348 2HO* G 348 27.356 20.512 -3.308 784 H1* G 348 H1* G 348 26.657 20.158 -0.980 785 H8 G 348 H8 G 348 28.461 22.054 1.498 786 H1 G 348 H1 G 348 22.088 23.056 2.008 787 1H2 G 348 1H2 G 348 21.143 22.362 0.311 788 2H2 G 348 2H2 G 348 21.957 21.621 -1.049 789 1H5* C 349 1H5* C 349 25.373 23.281 -3.563 790 2H5* C 349 2H5* C 349 25.535 24.643 -4.671 791 H4* C 349 H4* C 349 23.636 25.115 -3.384 792 H3* C 349 H3* C 349 26.025 26.682 -2.451 793 H2* C 349 H2* C 349 24.731 27.744 -0.805 794 2HO* C 349 2HO* C 349 22.356 26.508 -1.730 795 H1* C 349 H1* C 349 23.265 25.268 -0.316 796 1H4 C 349 1H4 C 349 26.549 26.528 5.039 797 2H4 C 349 2H4 C 349 27.921 25.700 4.338 798 H5 C 349 H5 C 349 27.987 24.916 2.111 799 H6 C 349 H6 C 349 26.739 24.732 -0.013 800 1H5* C 350 1H5* C 350 23.682 30.020 -4.556 801 2H5* C 350 2H5* C 350 24.854 31.313 -4.810 802 H4* C 350 H4* C 350 23.082 31.713 -3.051 803 H3* C 350 H3* C 350 26.021 32.064 -2.535 804 H2* C 350 H2* C 350 25.562 32.835 -0.343 805 2HO* C 350 2HO* C 350 23.599 33.771 -0.057 806 H1* C 350 H1* C 350 23.629 30.751 0.060 807 1H4 C 350 1H4 C 350 28.742 29.016 3.482 808 2H4 C 350 2H4 C 350 29.473 28.378 2.026 809 H5 C 350 H5 C 350 28.537 28.618 -0.129 810 H6 C 350 H6 C 350 26.650 29.536 -1.431 811 1H5* G 351 1H5* G 351 24.807 36.233 -1.886 812 2H5* G 351 2H5* G 351 25.737 37.156 -3.065 813 H4* G 351 H4* G 351 26.251 38.169 -1.041 814 H3* G 351 H3* G 351 28.416 36.285 -1.884 815 H2* G 351 H2* G 351 29.681 36.770 0.067 816 2HO* G 351 2HO* G 351 29.029 38.582 1.313 817 H1* G 351 H1* G 351 27.534 36.381 1.802 818 H8 G 351 H8 G 351 27.690 34.086 -1.218 819 H1 G 351 H1 G 351 30.712 31.841 4.044 820 1H2 G 351 1H2 G 351 30.737 33.301 5.501 821 2H2 G 351 2H2 G 351 30.043 34.897 5.321 822 1H5* C 352 1H5* C 352 30.210 39.806 -0.928 823 2H5* C 352 2H5* C 352 31.625 40.300 -1.857 824 H4* C 352 H4* C 352 32.177 39.920 0.486 825 H3* C 352 H3* C 352 33.440 38.142 -1.577 826 H2* C 352 H2* C 352 34.689 37.033 0.094 827 2HO* C 352 2HO* C 352 33.589 39.097 1.778 828 H1* C 352 H1* C 352 32.427 36.925 1.854 829 1H4 C 352 1H4 C 352 33.064 30.968 -0.356 830 2H4 C 352 2H4 C 352 32.306 31.455 -1.855 831 H5 C 352 H5 C 352 31.712 33.683 -2.367 832 H6 C 352 H6 C 352 31.700 36.016 -1.558 833 1H5* A 353 1H5* A 353 36.507 41.539 -0.576 834 2H5* A 353 2H5* A 353 37.573 41.824 -1.951 835 H4* A 353 H4* A 353 38.680 40.887 0.089 836 H3* A 353 H3* A 353 38.902 39.580 -2.601 837 H2* A 353 H2* A 353 40.326 37.905 -1.716 838 2HO* A 353 2HO* A 353 41.574 38.988 -0.276 839 H1* A 353 H1* A 353 38.661 37.512 0.556 840 H8 A 353 H8 A 353 37.008 37.787 -2.841 841 1H6 A 353 1H6 A 353 37.314 31.556 -3.035 842 2H6 A 353 2H6 A 353 36.691 32.971 -3.853 843 H2 A 353 H2 A 353 39.524 32.946 0.560 844 1H5* A 354 1H5* A 354 43.002 40.008 -1.236 845 2H5* A 354 2H5* A 354 44.008 40.413 -2.626 846 H4* A 354 H4* A 354 44.819 38.389 -1.622 847 H3* A 354 H3* A 354 43.513 38.046 -4.314 848 H2* A 354 H2* A 354 44.171 35.766 -4.317 849 2HO* A 354 2HO* A 354 45.621 35.131 -2.513 850 H1* A 354 H1* A 354 43.309 35.356 -1.659 851 H8 A 354 H8 A 354 40.876 37.437 -3.580 852 1H6 A 354 1H6 A 354 38.289 32.090 -5.495 853 2H6 A 354 2H6 A 354 38.092 33.828 -5.462 854 H2 A 354 H2 A 354 42.094 31.126 -3.413 855 1H5* C 355 1H5* C 355 47.076 36.178 -5.108 856 2H5* C 355 2H5* C 355 47.810 36.935 -6.522 857 H4* C 355 H4* C 355 47.657 34.674 -7.075 858 H3* C 355 H3* C 355 45.383 36.207 -8.329 859 H2* C 355 H2* C 355 44.753 34.239 -9.498 860 2HO* C 355 2HO* C 355 47.052 33.746 -9.791 861 H1* C 355 H1* C 355 45.047 32.639 -7.159 862 1H4 C 355 1H4 C 355 38.750 33.526 -7.676 863 2H4 C 355 2H4 C 355 38.931 35.153 -7.063 864 H5 C 355 H5 C 355 41.017 36.163 -6.605 865 H6 C 355 H6 C 355 43.467 35.855 -6.624 866 1H5* C 356 1H5* C 356 48.158 34.747 -11.133 867 2H5* C 356 2H5* C 356 48.233 35.285 -12.811 868 H4* C 356 H4* C 356 47.378 33.048 -12.745 869 H3* C 356 H3* C 356 45.346 35.148 -13.484 870 H2* C 356 H2* C 356 43.789 33.424 -13.970 871 2HO* C 356 2HO* C 356 44.707 31.571 -14.651 872 H1* C 356 H1* C 356 44.463 32.013 -11.584 873 1H4 C 356 1H4 C 356 38.947 34.871 -10.152 874 2H4 C 356 2H4 C 356 39.766 36.414 -10.056 875 H5 C 356 H5 C 356 42.047 36.729 -10.577 876 H6 C 356 H6 C 356 44.127 35.628 -11.325 877 1H5* C 357 1H5* C 357 46.064 32.324 -16.098 878 2H5* C 357 2H5* C 357 46.849 32.520 -17.665 879 H4* C 357 H4* C 357 45.304 30.975 -18.252 880 H3* C 357 H3* C 357 43.991 33.636 -18.626 881 H2* C 357 H2* C 357 41.931 32.619 -19.210 882 2HO* C 357 2HO* C 357 41.972 30.371 -19.699 883 H1* C 357 H1* C 357 41.850 30.905 -17.059 884 1H4 C 357 1H4 C 357 39.079 36.263 -14.937 885 2H4 C 357 2H4 C 357 40.648 36.836 -14.418 886 H5 C 357 H5 C 357 42.676 35.713 -14.869 887 H6 C 357 H6 C 357 43.707 33.743 -15.941 888 1H5* U 358 1H5* U 358 41.998 31.633 -21.307 889 2H5* U 358 2H5* U 358 42.461 32.237 -22.898 890 H4* U 358 H4* U 358 40.157 32.363 -22.954 891 H3* U 358 H3* U 358 41.236 35.061 -22.150 892 H2* U 358 H2* U 358 39.030 35.931 -22.241 893 2HO* U 358 2HO* U 358 38.298 33.304 -23.160 894 H1* U 358 H1* U 358 37.954 33.739 -20.814 895 H3 U 358 H3 U 358 37.386 37.023 -17.778 896 H5 U 358 H5 U 358 41.545 36.561 -17.927 897 H6 U 358 H6 U 358 41.205 34.989 -19.779 898 1H5* G 359 1H5* G 359 38.858 34.974 -25.307 899 2H5* G 359 2H5* G 359 39.098 35.845 -26.822 900 H4* G 359 H4* G 359 36.925 36.387 -26.181 901 H3* G 359 H3* G 359 38.841 38.590 -25.498 902 H2* G 359 H2* G 359 37.076 39.909 -24.625 903 2HO* G 359 2HO* G 359 35.479 37.756 -25.680 904 H1* G 359 H1* G 359 35.976 37.708 -23.195 905 H8 G 359 H8 G 359 39.675 37.886 -22.805 906 H1 G 359 H1 G 359 36.484 41.836 -18.792 907 1H2 G 359 1H2 G 359 34.498 41.919 -19.343 908 2H2 G 359 2H2 G 359 33.802 41.049 -20.690 909 1H5* G 360 1H5* G 360 35.887 39.637 -28.131 910 2H5* G 360 2H5* G 360 36.041 40.667 -29.555 911 H4* G 360 H4* G 360 34.441 41.760 -28.297 912 H3* G 360 H3* G 360 37.125 43.006 -27.732 913 H2* G 360 H2* G 360 36.047 44.651 -26.402 914 2HO* G 360 2HO* G 360 33.535 44.226 -26.430 915 H1* G 360 H1* G 360 34.477 42.739 -25.046 916 H8 G 360 H8 G 360 37.978 41.530 -25.528 917 H1 G 360 H1 G 360 37.264 45.392 -20.384 918 1H2 G 360 1H2 G 360 35.394 46.259 -20.429 919 2H2 G 360 2H2 G 360 34.197 45.982 -21.675 920 1H5* G 361 1H5* G 361 34.868 45.986 -30.120 921 2H5* G 361 2H5* G 361 35.914 47.027 -31.086 922 H4* G 361 H4* G 361 34.738 48.381 -29.508 923 H3* G 361 H3* G 361 37.675 48.060 -28.998 924 H2* G 361 H2* G 361 37.544 49.517 -27.128 925 2HO* G 361 2HO* G 361 35.483 50.632 -26.831 926 H1* G 361 H1* G 361 35.294 48.209 -26.060 927 H8 G 361 H8 G 361 37.689 45.715 -27.445 928 H1 G 361 H1 G 361 39.252 47.743 -21.501 929 1H2 G 361 1H2 G 361 38.079 49.362 -20.995 930 2H2 G 361 2H2 G 361 36.855 50.065 -22.028 931 1H5* A 362 1H5* A 362 36.447 51.967 -30.261 932 2H5* A 362 2H5* A 362 37.463 53.088 -31.167 933 H4* A 362 H4* A 362 36.928 54.141 -29.118 934 H3* A 362 H3* A 362 39.757 53.143 -29.249 935 H2* A 362 H2* A 362 40.203 54.087 -27.117 936 2HO* A 362 2HO* A 362 37.850 55.117 -26.407 937 H1* A 362 H1* A 362 37.934 53.007 -25.923 938 H8 A 362 H8 A 362 39.082 50.443 -28.306 939 1H6 A 362 1H6 A 362 43.262 48.652 -24.031 940 2H6 A 362 2H6 A 362 42.517 48.219 -25.554 941 H2 A 362 H2 A 362 41.493 52.509 -22.714 942 1H5* G 363 1H5* G 363 39.933 56.833 -27.188 943 2H5* G 363 2H5* G 363 41.434 57.609 -27.692 944 H4* G 363 H4* G 363 41.100 56.851 -25.219 945 H3* G 363 H3* G 363 43.601 56.623 -26.866 946 H2* G 363 H2* G 363 44.755 55.688 -25.016 947 2HO* G 363 2HO* G 363 43.587 57.173 -23.596 948 H1* G 363 H1* G 363 42.773 53.834 -24.420 949 H8 G 363 H8 G 363 42.730 54.035 -28.085 950 H1 G 363 H1 G 363 47.778 50.642 -25.875 951 1H2 G 363 1H2 G 363 47.966 50.931 -23.842 952 2H2 G 363 2H2 G 363 46.912 51.943 -22.880 953 1H5* A 364 1H5* A 364 46.267 57.628 -25.078 954 2H5* A 364 2H5* A 364 46.906 58.853 -23.981 955 H4* A 364 H4* A 364 47.416 58.414 -26.853 956 H3* A 364 H3* A 364 48.973 59.432 -24.484 957 H2* A 364 H2* A 364 50.524 60.445 -25.947 958 2HO* A 364 2HO* A 364 50.398 58.522 -27.317 959 H1* A 364 H1* A 364 48.395 61.330 -27.687 960 H8 A 364 H8 A 364 47.963 62.222 -24.083 961 1H6 A 364 1H6 A 364 51.126 67.456 -25.327 962 2H6 A 364 2H6 A 364 50.173 66.630 -24.114 963 H2 A 364 H2 A 364 51.385 64.797 -28.878 964 1H5* G 365 1H5* G 365 52.897 55.825 -25.764 965 2H5* G 365 2H5* G 365 52.090 54.263 -25.623 966 H4* G 365 H4* G 365 53.451 54.126 -23.815 967 H3* G 365 H3* G 365 50.827 55.030 -22.996 968 H2* G 365 H2* G 365 51.641 56.791 -21.743 969 2HO* G 365 2HO* G 365 51.160 54.944 -20.348 970 H1* G 365 H1* G 365 54.324 55.299 -21.704 971 H8 G 365 H8 G 365 55.306 58.167 -23.178 972 H1 G 365 H1 G 365 54.107 59.632 -16.990 973 1H2 G 365 1H2 G 365 52.943 58.154 -16.145 974 2H2 G 365 2H2 G 365 52.376 56.730 -16.989 975 1H5* G 366 1H5* G 366 52.137 50.388 -21.623 976 2H5* G 366 2H5* G 366 50.629 49.664 -21.065 977 H4* G 366 H4* G 366 52.254 49.150 -19.438 978 H3* G 366 H3* G 366 50.125 50.957 -18.667 979 H2* G 366 H2* G 366 51.550 52.462 -17.650 980 2HO* G 366 2HO* G 366 51.792 50.051 -16.090 981 H1* G 366 H1* G 366 53.596 50.178 -17.521 982 H8 G 366 H8 G 366 53.860 52.418 -15.480 983 H1 G 366 H1 G 366 57.734 54.751 -20.109 984 1H2 G 366 1H2 G 366 57.309 53.818 -21.899 985 2H2 G 366 2H2 G 366 56.085 52.586 -22.113 986 1H5* U 367 1H5* U 367 48.959 51.197 -16.393 987 2H5* U 367 2H5* U 367 47.883 49.920 -15.826 988 H4* U 367 H4* U 367 47.004 52.355 -16.109 989 H3* U 367 H3* U 367 45.564 49.817 -16.820 990 H2* U 367 H2* U 367 43.659 51.068 -17.489 991 2HO* U 367 2HO* U 367 43.474 52.838 -16.247 992 H1* U 367 H1* U 367 45.110 52.843 -19.064 993 H3 U 367 H3 U 367 43.309 50.373 -22.356 994 H5 U 367 H5 U 367 45.908 47.678 -20.478 995 H6 U 367 H6 U 367 46.341 49.415 -18.803 996 1H5* C 368 1H5* C 368 43.254 51.929 -14.480 997 2H5* C 368 2H5* C 368 42.199 51.251 -13.241 998 H4* C 368 H4* C 368 40.886 52.310 -14.968 999 H3* C 368 H3* C 368 40.669 49.300 -14.848 1000 H2* C 368 H2* C 368 38.904 49.417 -16.420 1001 2HO* C 368 2HO* C 368 38.775 52.108 -16.794 1002 H1* C 368 H1* C 368 40.290 51.349 -18.001 1003 1H4 C 368 1H4 C 368 40.921 45.824 -21.151 1004 2H4 C 368 2H4 C 368 42.254 45.401 -20.100 1005 H5 C 368 H5 C 368 42.918 46.688 -18.234 1006 H6 C 368 H6 C 368 42.463 48.719 -16.905 1007 1H5* C 369 1H5* C 369 37.292 51.014 -13.976 1008 2H5* C 369 2H5* C 369 36.178 50.717 -12.641 1009 H4* C 369 H4* C 369 34.779 50.239 -14.350 1010 H3* C 369 H3* C 369 36.239 47.649 -13.854 1011 H2* C 369 H2* C 369 34.914 46.618 -15.529 1012 2HO* C 369 2HO* C 369 32.917 47.461 -15.607 1013 H1* C 369 H1* C 369 35.258 48.776 -17.328 1014 1H4 C 369 1H4 C 369 39.642 44.675 -19.424 1015 2H4 C 369 2H4 C 369 40.469 44.721 -17.883 1016 H5 C 369 H5 C 369 39.707 45.953 -16.017 1017 H6 C 369 H6 C 369 37.948 47.460 -15.163 1018 1H5* C 370 1H5* C 370 32.231 47.441 -13.228 1019 2H5* C 370 2H5* C 370 31.343 46.306 -12.211 1020 H4* C 370 H4* C 370 30.818 45.752 -14.441 1021 H3* C 370 H3* C 370 32.815 43.824 -13.257 1022 H2* C 370 H2* C 370 32.585 42.473 -15.193 1023 2HO* C 370 2HO* C 370 30.701 42.689 -16.338 1024 H1* C 370 H1* C 370 32.718 44.741 -16.915 1025 1H4 C 370 1H4 C 370 38.556 42.224 -17.337 1026 2H4 C 370 2H4 C 370 38.911 42.747 -15.706 1027 H5 C 370 H5 C 370 37.337 43.789 -14.285 1028 H6 C 370 H6 C 370 35.012 44.594 -14.080 1029 1H5* A 371 1H5* A 371 28.711 41.779 -13.601 1030 2H5* A 371 2H5* A 371 28.620 40.428 -12.471 1031 H4* A 371 H4* A 371 28.148 39.722 -14.755 1032 H3* A 371 H3* A 371 30.580 38.602 -13.397 1033 H2* A 371 H2* A 371 30.993 37.197 -15.273 1034 2HO* A 371 2HO* A 371 28.501 38.339 -16.158 1035 H1* A 371 H1* A 371 30.777 39.272 -17.116 1036 H8 A 371 H8 A 371 32.382 40.773 -14.161 1037 1H6 A 371 1H6 A 371 37.792 38.378 -16.150 1038 2H6 A 371 2H6 A 371 37.068 39.487 -15.007 1039 H2 A 371 H2 A 371 34.512 36.586 -18.551 1040 1H5* G 372 1H5* G 372 28.537 35.388 -15.115 1041 2H5* G 372 2H5* G 372 28.036 34.277 -13.841 1042 H4* G 372 H4* G 372 28.934 32.869 -15.443 1043 H3* G 372 H3* G 372 30.957 33.426 -13.304 1044 H2* G 372 H2* G 372 32.549 32.039 -14.390 1045 2HO* G 372 2HO* G 372 30.327 31.519 -16.150 1046 H1* G 372 H1* G 372 32.113 33.211 -16.905 1047 H8 G 372 H8 G 372 32.051 35.834 -14.264 1048 H1 G 372 H1 G 372 38.035 34.186 -16.098 1049 1H2 G 372 1H2 G 372 37.952 32.497 -17.278 1050 2H2 G 372 2H2 G 372 36.482 31.652 -17.707 1051 1H5* G 373 1H5* G 373 30.473 29.629 -13.900 1052 2H5* G 373 2H5* G 373 30.220 28.334 -12.731 1053 H4* G 373 H4* G 373 32.138 27.747 -13.966 1054 H3* G 373 H3* G 373 32.815 28.789 -11.225 1055 H2* G 373 H2* G 373 35.102 28.277 -11.609 1056 2HO* G 373 2HO* G 373 34.870 26.353 -12.708 1057 H1* G 373 H1* G 373 35.138 29.474 -14.141 1058 H8 G 373 H8 G 373 33.033 31.584 -11.946 1059 H1 G 373 H1 G 373 39.368 32.523 -11.012 1060 1H2 G 373 1H2 G 373 40.434 31.046 -11.981 1061 2H2 G 373 2H2 G 373 39.717 29.748 -12.907 1062 1H5* G 374 1H5* G 374 34.141 24.573 -11.603 1063 2H5* G 374 2H5* G 374 34.076 23.731 -10.055 1064 H4* G 374 H4* G 374 36.290 23.555 -10.962 1065 H3* G 374 H3* G 374 35.976 25.217 -8.496 1066 H2* G 374 H2* G 374 38.300 25.701 -8.446 1067 2HO* G 374 2HO* G 374 38.321 23.854 -10.658 1068 H1* G 374 H1* G 374 38.382 26.388 -11.174 1069 H8 G 374 H8 G 374 35.265 27.740 -9.681 1070 H1 G 374 H1 G 374 40.458 31.402 -8.455 1071 1H2 G 374 1H2 G 374 42.165 30.379 -8.995 1072 2H2 G 374 2H2 G 374 42.187 28.768 -9.678 1073 1H5* U 375 1H5* U 375 39.463 22.641 -7.384 1074 2H5* U 375 2H5* U 375 38.946 22.021 -5.817 1075 H4* U 375 H4* U 375 41.134 23.039 -5.647 1076 H3* U 375 H3* U 375 38.879 24.368 -4.186 1077 H2* U 375 H2* U 375 40.360 25.985 -3.292 1078 2HO* U 375 2HO* U 375 41.986 24.286 -3.045 1079 H1* U 375 H1* U 375 41.631 26.389 -5.808 1080 H3 U 375 H3 U 375 39.758 30.440 -5.098 1081 H5 U 375 H5 U 375 36.469 27.953 -5.831 1082 H6 U 375 H6 U 375 38.026 26.059 -5.826 1083 1H5* U 376 1H5* U 376 41.881 23.614 -0.988 1084 2H5* U 376 2H5* U 376 40.948 23.025 0.389 1085 H4* U 376 H4* U 376 42.244 24.919 1.077 1086 H3* U 376 H3* U 376 39.278 25.351 0.933 1087 H2* U 376 H2* U 376 39.530 27.562 1.752 1088 2HO* U 376 2HO* U 376 41.460 28.065 2.795 1089 H1* U 376 H1* U 376 41.677 28.119 -0.012 1090 H3 U 376 H3 U 376 38.452 30.898 -1.545 1091 H5 U 376 H5 U 376 37.128 27.101 -2.714 1092 H6 U 376 H6 U 376 38.985 26.163 -1.417 1093 2H ALA 1 HN ALA 1 95.910 -2.190 -7.772 1094 HA ALA 1 HA ALA 1 96.603 0.490 -8.730 1095 1HB ALA 1 1HB ALA 1 96.676 -2.003 -10.230 1096 2HB ALA 1 2HB ALA 1 95.473 -0.884 -10.916 1097 3HB ALA 1 3HB ALA 1 97.167 -0.367 -10.731 1098 H THR 2 HN THR 2 94.948 1.715 -7.958 1099 HA THR 2 HA THR 2 92.248 0.871 -8.641 1100 HB THR 2 HB THR 2 91.513 1.316 -6.263 1101 HG1 THR 2 HG1 THR 2 94.403 1.168 -5.816 1102 1HG2 THR 2 1HG2 THR 2 92.548 -0.693 -5.196 1103 2HG2 THR 2 2HG2 THR 2 92.051 -1.054 -6.866 1104 3HG2 THR 2 3HG2 THR 2 93.765 -0.752 -6.494 1105 H VAL 3 HN VAL 3 90.901 2.543 -9.166 1106 HA VAL 3 HA VAL 3 91.706 5.226 -8.435 1107 HB VAL 3 HB VAL 3 91.606 4.226 -11.283 1108 1HG1 VAL 3 1HG1 VAL 3 91.152 6.943 -10.161 1109 2HG1 VAL 3 2HG1 VAL 3 92.235 6.832 -11.569 1110 3HG1 VAL 3 3HG1 VAL 3 90.570 6.211 -11.676 1111 1HG2 VAL 3 1HG2 VAL 3 93.779 3.887 -10.484 1112 2HG2 VAL 3 2HG2 VAL 3 93.873 5.476 -11.281 1113 3HG2 VAL 3 3HG2 VAL 3 93.759 5.375 -9.508 1114 H VAL 4 HN VAL 4 89.843 5.815 -7.424 1115 HA VAL 4 HA VAL 4 87.415 5.674 -9.024 1116 HB VAL 4 HB VAL 4 87.591 3.649 -7.529 1117 1HG1 VAL 4 1HG1 VAL 4 87.088 3.963 -5.134 1118 2HG1 VAL 4 2HG1 VAL 4 88.643 4.701 -5.589 1119 3HG1 VAL 4 3HG1 VAL 4 87.208 5.726 -5.346 1120 1HG2 VAL 4 1HG2 VAL 4 85.453 4.330 -8.414 1121 2HG2 VAL 4 2HG2 VAL 4 85.237 3.858 -6.712 1122 3HG2 VAL 4 3HG2 VAL 4 85.279 5.580 -7.159 1123 H SER 5 HN SER 5 85.905 7.345 -8.522 1124 HA SER 5 HA SER 5 86.745 9.174 -6.445 1125 1HB SER 5 2HB SER 5 87.021 9.662 -9.314 1126 2HB SER 5 3HB SER 5 85.942 10.840 -8.594 1127 HG SER 5 HG SER 5 88.095 10.490 -6.940 1128 H GLY 6 HN GLY 6 84.983 10.441 -5.590 1129 1HA GLY 6 1HA GLY 6 82.379 10.284 -6.835 1130 2HA GLY 6 2HA GLY 6 82.538 9.331 -5.374 1131 H GLN 7 HN GLN 7 80.739 11.503 -5.511 1132 HA GLN 7 HA GLN 7 81.997 13.243 -3.561 1133 1HB GLN 7 2HB GLN 7 81.436 14.078 -6.180 1134 2HB GLN 7 3HB GLN 7 80.068 14.675 -5.262 1135 1HG GLN 7 2HG GLN 7 82.079 15.373 -3.552 1136 2HG GLN 7 3HG GLN 7 82.965 15.425 -5.062 1137 1HE2 GLN 7 1HE2 GLN 7 81.265 17.219 -2.961 1138 2HE2 GLN 7 2HE2 GLN 7 80.655 18.481 -3.979 1139 H LYS 8 HN LYS 8 80.728 13.549 -1.753 1140 HA LYS 8 HA LYS 8 77.928 12.692 -2.001 1141 1HB LYS 8 2HB LYS 8 79.819 11.389 -0.568 1142 2HB LYS 8 3HB LYS 8 79.275 12.533 0.643 1143 1HG LYS 8 2HG LYS 8 77.773 10.759 0.967 1144 2HG LYS 8 3HG LYS 8 76.850 11.809 -0.089 1145 1HD LYS 8 2HD LYS 8 76.631 9.628 -1.044 1146 2HD LYS 8 3HD LYS 8 77.786 10.456 -2.069 1147 1HE LYS 8 2HE LYS 8 78.696 8.258 -1.623 1148 2HE LYS 8 3HE LYS 8 79.659 9.400 -0.705 1149 1HZ LYS 8 1HZ LYS 8 77.340 8.113 0.519 1150 2HZ LYS 8 2HZ LYS 8 78.778 7.343 0.458 1151 3HZ LYS 8 3HZ LYS 8 78.648 8.767 1.247 1152 H GLN 9 HN GLN 9 76.767 14.554 -2.172 1153 HA GLN 9 HA GLN 9 76.659 16.228 0.061 1154 1HB GLN 9 2HB GLN 9 78.791 16.971 -1.389 1155 2HB GLN 9 3HB GLN 9 77.574 17.799 -2.340 1156 1HG GLN 9 2HG GLN 9 77.391 18.113 0.642 1157 2HG GLN 9 3HG GLN 9 78.739 18.907 -0.148 1158 1HE2 GLN 9 1HE2 GLN 9 75.235 18.540 -0.117 1159 2HE2 GLN 9 2HE2 GLN 9 74.831 20.077 -0.806 1160 H ASP 10 HN ASP 10 74.436 15.583 -0.165 1161 HA ASP 10 HA ASP 10 72.869 17.361 -1.523 1162 1HB ASP 10 2HB ASP 10 73.568 14.881 -3.059 1163 2HB ASP 10 3HB ASP 10 71.876 15.340 -3.074 1164 H ARG 11 HN ARG 11 70.494 16.751 -1.251 1165 HA ARG 11 HA ARG 11 70.160 14.418 0.438 1166 1HB ARG 11 2HB ARG 11 69.891 17.211 1.246 1167 2HB ARG 11 3HB ARG 11 68.339 16.409 1.391 1168 1HG ARG 11 2HG ARG 11 70.884 15.151 2.493 1169 2HG ARG 11 3HG ARG 11 69.951 16.299 3.432 1170 1HD ARG 11 2HD ARG 11 67.917 14.842 3.168 1171 2HD ARG 11 3HD ARG 11 68.875 13.685 2.265 1172 HE ARG 11 HE ARG 11 70.347 13.904 4.552 1173 1HH1 ARG 11 2HH2 ARG 11 66.897 13.438 4.046 1174 2HH1 ARG 11 1HH2 ARG 11 66.669 12.558 5.521 1175 1HH2 ARG 11 2HH1 ARG 11 70.049 12.743 6.498 1176 2HH2 ARG 11 1HH1 ARG 11 68.474 12.160 6.924 1177 H GLN 12 HN GLN 12 68.341 13.212 -0.128 1178 HA GLN 12 HA GLN 12 66.417 14.577 -1.843 1179 1HB GLN 12 2HB GLN 12 67.634 11.807 -2.142 1180 2HB GLN 12 3HB GLN 12 66.130 12.241 -2.932 1181 1HG GLN 12 2HG GLN 12 68.293 14.247 -3.293 1182 2HG GLN 12 3HG GLN 12 68.666 12.677 -3.977 1183 1HE2 GLN 12 1HE2 GLN 12 68.594 14.101 -5.927 1184 2HE2 GLN 12 2HE2 GLN 12 67.091 14.248 -6.777 1185 H GLY 13 HN GLY 13 64.228 14.209 -1.392 1186 1HA GLY 13 1HA GLY 13 63.498 12.074 0.449 1187 2HA GLY 13 2HA GLY 13 63.291 13.709 1.045 1188 H GLY 14 HN GLY 14 61.286 14.564 0.743 1189 1HA GLY 14 1HA GLY 14 59.795 15.242 -1.163 1190 2HA GLY 14 2HA GLY 14 59.699 13.531 -1.528 1191 H GLU 15 HN GLU 15 58.109 12.322 -0.560 1192 HA GLU 15 HA GLU 15 56.424 11.793 0.701 1193 1HB GLU 15 2HB GLU 15 58.092 13.304 2.726 1194 2HB GLU 15 3HB GLU 15 56.521 12.681 3.185 1195 1HG GLU 15 2HG GLU 15 57.878 10.860 3.733 1196 2HG GLU 15 3HG GLU 15 57.393 10.419 2.106 1197 H ARG 16 HN ARG 16 54.319 12.486 0.592 1198 HA ARG 16 HA ARG 16 53.817 15.262 1.188 1199 1HB ARG 16 2HB ARG 16 53.054 13.889 -1.435 1200 2HB ARG 16 3HB ARG 16 52.334 15.396 -0.907 1201 1HG ARG 16 2HG ARG 16 54.071 16.460 -1.911 1202 2HG ARG 16 3HG ARG 16 55.084 15.870 -0.607 1203 1HD ARG 16 2HD ARG 16 55.443 13.730 -1.962 1204 2HD ARG 16 3HD ARG 16 54.591 14.494 -3.290 1205 HE ARG 16 HE ARG 16 56.615 16.302 -2.447 1206 1HH1 ARG 16 2HH2 ARG 16 56.369 13.116 -3.917 1207 2HH1 ARG 16 1HH2 ARG 16 57.876 13.248 -4.761 1208 1HH2 ARG 16 2HH1 ARG 16 58.603 16.478 -3.559 1209 2HH2 ARG 16 1HH1 ARG 16 59.156 15.173 -4.555 1210 H ARG 17 HN ARG 17 52.460 14.873 2.949 1211 HA ARG 17 HA ARG 17 49.900 13.937 2.424 1212 1HB ARG 17 2HB ARG 17 49.916 11.906 3.916 1213 2HB ARG 17 3HB ARG 17 50.880 11.688 2.469 1214 1HG ARG 17 2HG ARG 17 52.314 12.810 4.853 1215 2HG ARG 17 3HG ARG 17 51.802 11.139 4.978 1216 1HD ARG 17 2HD ARG 17 52.905 11.358 2.373 1217 2HD ARG 17 3HD ARG 17 53.985 12.288 3.392 1218 HE ARG 17 HE ARG 17 53.664 10.030 4.893 1219 1HH1 ARG 17 2HH2 ARG 17 54.393 10.472 1.480 1220 2HH1 ARG 17 1HH2 ARG 17 55.295 8.999 1.350 1221 1HH2 ARG 17 2HH1 ARG 17 54.855 8.087 4.723 1222 2HH2 ARG 17 1HH1 ARG 17 55.559 7.633 3.208 1223 H ARG 18 HN ARG 18 48.484 14.245 4.325 1224 HA ARG 18 HA ARG 18 49.059 16.364 5.828 1225 1HB ARG 18 2HB ARG 18 47.367 13.967 6.704 1226 2HB ARG 18 3HB ARG 18 47.251 15.577 7.385 1227 1HG ARG 18 2HG ARG 18 46.956 16.202 4.744 1228 2HG ARG 18 3HG ARG 18 46.320 14.568 4.718 1229 1HD ARG 18 2HD ARG 18 45.073 15.569 6.973 1230 2HD ARG 18 3HD ARG 18 45.195 17.019 5.997 1231 HE ARG 18 HE ARG 18 43.667 16.106 4.458 1232 1HH1 ARG 18 2HH2 ARG 18 44.773 13.599 6.666 1233 2HH1 ARG 18 1HH2 ARG 18 43.607 12.435 6.133 1234 1HH2 ARG 18 2HH1 ARG 18 42.127 14.572 3.755 1235 2HH2 ARG 18 1HH1 ARG 18 42.091 12.993 4.465 1236 H SER 19 HN SER 19 49.423 12.891 6.856 1237 HA SER 19 HA SER 19 50.641 11.930 8.373 1238 1HB SER 19 2HB SER 19 52.564 12.891 7.209 1239 2HB SER 19 3HB SER 19 52.384 14.410 8.064 1240 HG SER 19 HG SER 19 52.668 12.974 10.086 1241 H GLN 20 HN GLN 20 50.618 15.487 9.159 1242 HA GLN 20 HA GLN 20 49.131 14.949 11.517 1243 1HB GLN 20 2HB GLN 20 51.909 14.788 11.798 1244 2HB GLN 20 3HB GLN 20 51.560 16.432 12.298 1245 1HG GLN 20 2HG GLN 20 49.589 15.270 13.679 1246 2HG GLN 20 3HG GLN 20 50.580 13.835 13.502 1247 1HE2 GLN 20 1HE2 GLN 20 50.065 14.828 15.963 1248 2HE2 GLN 20 2HE2 GLN 20 51.483 15.516 16.681 1249 H LEU 21 HN LEU 21 48.842 16.467 9.023 1250 HA LEU 21 HA LEU 21 49.439 19.060 8.982 1251 1HB LEU 21 2HB LEU 21 47.547 17.397 7.800 1252 2HB LEU 21 3HB LEU 21 46.596 18.694 8.495 1253 HG LEU 21 HG LEU 21 48.856 18.963 6.499 1254 1HD1 LEU 21 1HD1 LEU 21 46.656 20.196 5.436 1255 2HD1 LEU 21 2HD1 LEU 21 47.183 18.535 5.074 1256 3HD1 LEU 21 3HD1 LEU 21 45.927 18.824 6.303 1257 1HD2 LEU 21 1HD2 LEU 21 49.204 20.904 7.641 1258 2HD2 LEU 21 2HD2 LEU 21 47.900 21.439 6.556 1259 3HD2 LEU 21 3HD2 LEU 21 47.530 20.991 8.238 1260 H ASP 22 HN ASP 22 49.650 20.423 10.689 1261 HA ASP 22 HA ASP 22 47.758 20.235 12.826 1262 1HB ASP 22 2HB ASP 22 50.435 20.962 12.633 1263 2HB ASP 22 3HB ASP 22 49.656 22.525 12.780 1264 H ARG 23 HN ARG 23 46.443 22.129 13.528 1265 HA ARG 23 HA ARG 23 45.289 23.445 11.367 1266 1HB ARG 23 2HB ARG 23 44.569 22.924 13.987 1267 2HB ARG 23 3HB ARG 23 44.902 24.641 14.079 1268 1HG ARG 23 2HG ARG 23 42.501 24.107 13.503 1269 2HG ARG 23 3HG ARG 23 43.290 25.140 12.328 1270 1HD ARG 23 2HD ARG 23 43.101 23.582 10.665 1271 2HD ARG 23 3HD ARG 23 43.667 22.284 11.697 1272 HE ARG 23 HE ARG 23 41.155 22.686 12.691 1273 1HH1 ARG 23 2HH2 ARG 23 42.324 22.328 9.391 1274 2HH1 ARG 23 1HH2 ARG 23 40.850 21.629 8.810 1275 1HH2 ARG 23 2HH1 ARG 23 39.211 21.763 11.925 1276 2HH2 ARG 23 1HH1 ARG 23 39.068 21.305 10.261 1277 H ASP 24 HN ASP 24 48.234 23.988 12.934 1278 HA ASP 24 HA ASP 24 48.139 26.803 12.176 1279 1HB ASP 24 2HB ASP 24 48.314 26.268 14.704 1280 2HB ASP 24 3HB ASP 24 49.908 25.622 14.361 1281 H GLN 25 HN GLN 25 48.952 24.146 10.811 1282 HA GLN 25 HA GLN 25 51.779 24.756 10.450 1283 1HB GLN 25 2HB GLN 25 50.269 22.236 10.674 1284 2HB GLN 25 3HB GLN 25 51.304 22.262 9.260 1285 1HG GLN 25 2HG GLN 25 53.250 22.911 10.692 1286 2HG GLN 25 3HG GLN 25 52.217 22.891 12.108 1287 1HE2 GLN 25 1HE2 GLN 25 53.880 21.348 12.806 1288 2HE2 GLN 25 2HE2 GLN 25 53.685 19.666 12.436 1289 H CYS 26 HN CYS 26 52.522 23.986 8.077 1290 HA CYS 26 HA CYS 26 50.639 25.299 6.271 1291 1HB CYS 26 2HB CYS 26 52.791 26.407 6.390 1292 2HB CYS 26 3HB CYS 26 53.641 24.907 6.080 1293 H ALA 27 HN ALA 27 49.692 24.094 4.632 1294 HA ALA 27 HA ALA 27 50.408 21.275 4.535 1295 1HB ALA 27 1HB ALA 27 48.011 22.911 4.148 1296 2HB ALA 27 2HB ALA 27 48.255 21.758 2.814 1297 3HB ALA 27 3HB ALA 27 48.157 21.171 4.492 1298 H TYR 28 HN TYR 28 52.290 23.271 3.487 1299 HA TYR 28 HA TYR 28 52.232 22.415 0.678 1300 1HB TYR 28 2HB TYR 28 51.606 24.916 1.339 1301 2HB TYR 28 3HB TYR 28 53.295 25.077 1.777 1302 HD1 TYR 28 HD1 TYR 28 50.927 25.334 -0.863 1303 HD2 TYR 28 HD2 TYR 28 55.044 24.480 -0.077 1304 HE1 TYR 28 HE1 TYR 28 51.508 25.883 -3.277 1305 HE2 TYR 28 HE2 TYR 28 55.613 25.031 -2.493 1306 HH TYR 28 HH TYR 28 54.829 25.495 -4.463 1307 H CYS 29 HN CYS 29 54.366 24.130 3.079 1308 HA CYS 29 HA CYS 29 56.563 22.507 2.061 1309 1HB CYS 29 2HB CYS 29 58.020 24.150 3.235 1310 2HB CYS 29 3HB CYS 29 57.018 24.868 1.988 1311 H LYS 30 HN LYS 30 54.214 22.649 4.532 1312 HA LYS 30 HA LYS 30 53.906 21.359 6.313 1313 1HB LYS 30 2HB LYS 30 56.217 20.082 5.082 1314 2HB LYS 30 3HB LYS 30 56.269 19.950 6.828 1315 1HG LYS 30 2HG LYS 30 54.776 18.252 6.657 1316 2HG LYS 30 3HG LYS 30 53.571 19.447 6.221 1317 1HD LYS 30 2HD LYS 30 55.037 19.009 3.835 1318 2HD LYS 30 3HD LYS 30 54.854 17.415 4.541 1319 1HE LYS 30 2HE LYS 30 52.318 18.633 4.876 1320 2HE LYS 30 3HE LYS 30 52.831 19.125 3.275 1321 1HZ LYS 30 1HZ LYS 30 52.445 16.422 4.297 1322 2HZ LYS 30 2HZ LYS 30 51.857 17.098 2.932 1323 3HZ LYS 30 3HZ LYS 30 53.432 16.673 3.019 1324 H GLU 31 HN GLU 31 55.305 24.080 6.117 1325 HA GLU 31 HA GLU 31 57.082 24.134 8.305 1326 1HB GLU 31 2HB GLU 31 55.880 26.079 6.404 1327 2HB GLU 31 3HB GLU 31 56.256 26.750 7.978 1328 1HG GLU 31 2HG GLU 31 58.171 26.932 6.363 1329 2HG GLU 31 3HG GLU 31 58.588 26.033 7.809 1330 H LYS 32 HN LYS 32 56.457 26.105 10.029 1331 HA LYS 32 HA LYS 32 53.753 25.526 10.989 1332 1HB LYS 32 2HB LYS 32 56.157 24.544 12.154 1333 2HB LYS 32 3HB LYS 32 55.544 25.794 13.218 1334 1HG LYS 32 2HG LYS 32 53.200 24.558 12.756 1335 2HG LYS 32 3HG LYS 32 54.244 23.200 12.386 1336 1HD LYS 32 2HD LYS 32 55.345 23.424 14.613 1337 2HD LYS 32 3HD LYS 32 54.338 24.809 14.983 1338 1HE LYS 32 2HE LYS 32 52.459 23.519 15.383 1339 2HE LYS 32 3HE LYS 32 52.853 22.359 14.129 1340 1HZ LYS 32 1HZ LYS 32 54.430 21.352 15.538 1341 2HZ LYS 32 2HZ LYS 32 54.334 22.539 16.656 1342 3HZ LYS 32 3HZ LYS 32 53.071 21.530 16.426 1343 H GLY 33 HN GLY 33 52.645 27.390 11.193 1344 1HA GLY 33 1HA GLY 33 52.798 29.513 12.551 1345 2HA GLY 33 2HA GLY 33 54.216 29.863 11.582 1346 H HIS 34 HN HIS 34 53.565 29.118 9.015 1347 HA HIS 34 HA HIS 34 51.299 30.885 8.479 1348 1HB HIS 34 2HB HIS 34 52.315 31.438 6.416 1349 2HB HIS 34 3HB HIS 34 53.571 31.528 7.634 1350 HD1 HIS 34 HD1 HIS 34 55.585 29.953 7.407 1351 HD2 HIS 34 HD2 HIS 34 52.545 29.190 4.619 1352 HE1 HIS 34 HE1 HIS 34 56.563 28.314 5.714 1353 H TRP 35 HN TRP 35 49.907 30.304 6.578 1354 HA TRP 35 HA TRP 35 49.472 27.415 6.602 1355 1HB TRP 35 2HB TRP 35 47.765 29.815 6.265 1356 2HB TRP 35 3HB TRP 35 47.337 28.415 5.300 1357 HD1 TRP 35 HD1 TRP 35 48.368 28.769 9.071 1358 HE1 TRP 35 HE1 TRP 35 46.694 27.426 10.606 1359 HE3 TRP 35 HE3 TRP 35 45.401 27.115 5.287 1360 HZ2 TRP 35 HZ2 TRP 35 44.368 25.858 10.077 1361 HZ3 TRP 35 HZ3 TRP 35 43.449 25.683 5.882 1362 HH2 TRP 35 HH2 TRP 35 42.913 25.052 8.182 1363 H ALA 36 HN ALA 36 48.735 26.489 4.395 1364 HA ALA 36 HA ALA 36 50.784 26.834 2.548 1365 1HB ALA 36 1HB ALA 36 48.041 25.769 1.846 1366 2HB ALA 36 2HB ALA 36 49.637 25.209 1.293 1367 3HB ALA 36 3HB ALA 36 49.108 24.881 2.960 1368 H LYS 37 HN LYS 37 47.571 28.370 2.900 1369 HA LYS 37 HA LYS 37 47.599 29.563 0.332 1370 1HB LYS 37 2HB LYS 37 45.954 29.806 2.823 1371 2HB LYS 37 3HB LYS 37 45.838 31.074 1.621 1372 1HG LYS 37 2HG LYS 37 44.337 29.727 0.564 1373 2HG LYS 37 3HG LYS 37 45.722 28.788 0.041 1374 1HD LYS 37 2HD LYS 37 44.923 28.085 2.784 1375 2HD LYS 37 3HD LYS 37 43.592 27.887 1.661 1376 1HE LYS 37 2HE LYS 37 46.301 26.831 0.845 1377 2HE LYS 37 3HE LYS 37 45.399 25.935 2.051 1378 1HZ LYS 37 1HZ LYS 37 44.507 25.051 0.214 1379 2HZ LYS 37 2HZ LYS 37 43.513 26.344 0.276 1380 3HZ LYS 37 3HZ LYS 37 44.796 26.349 -0.734 1381 H ASP 38 HN ASP 38 49.561 30.015 3.038 1382 HA ASP 38 HA ASP 38 50.104 32.736 2.149 1383 1HB ASP 38 2HB ASP 38 49.516 31.692 4.836 1384 2HB ASP 38 3HB ASP 38 51.069 32.502 4.797 1385 H CYS 39 HN CYS 39 51.155 29.813 1.652 1386 HA CYS 39 HA CYS 39 53.667 29.625 2.881 1387 1HB CYS 39 2HB CYS 39 52.370 27.731 1.842 1388 2HB CYS 39 3HB CYS 39 52.804 28.357 0.264 1389 HA PRO 40 HA PRO 40 55.730 32.559 0.376 1390 1HB PRO 40 2HB PRO 40 58.290 32.112 1.223 1391 2HB PRO 40 3HB PRO 40 57.157 33.127 2.091 1392 1HG PRO 40 2HG PRO 40 58.072 30.394 2.744 1393 2HG PRO 40 3HG PRO 40 57.296 31.570 3.787 1394 1HD PRO 40 2HD PRO 40 56.073 29.270 2.584 1395 2HD PRO 40 3HD PRO 40 55.272 30.508 3.531 1396 H LYS 41 HN LYS 41 55.639 29.366 -0.121 1397 HA LYS 41 HA LYS 41 57.677 29.423 -2.203 1398 1HB LYS 41 2HB LYS 41 56.128 27.241 -0.816 1399 2HB LYS 41 3HB LYS 41 56.924 26.935 -2.346 1400 1HG LYS 41 2HG LYS 41 58.998 26.924 -1.394 1401 2HG LYS 41 3HG LYS 41 58.683 28.388 -0.484 1402 1HD LYS 41 2HD LYS 41 58.520 27.123 1.390 1403 2HD LYS 41 3HD LYS 41 57.049 26.425 0.741 1404 1HE LYS 41 2HE LYS 41 58.068 24.427 0.362 1405 2HE LYS 41 3HE LYS 41 59.375 25.189 -0.522 1406 1HZ LYS 41 1HZ LYS 41 59.890 24.018 1.656 1407 2HZ LYS 41 2HZ LYS 41 60.582 25.474 1.397 1408 3HZ LYS 41 3HZ LYS 41 59.294 25.348 2.392 1409 H LYS 42 HN LYS 42 54.223 29.706 -1.672 1410 HA LYS 42 HA LYS 42 53.069 28.766 -3.896 1411 1HB LYS 42 2HB LYS 42 52.563 30.957 -2.029 1412 2HB LYS 42 3HB LYS 42 51.903 31.279 -3.619 1413 1HG LYS 42 2HG LYS 42 51.266 28.574 -3.186 1414 2HG LYS 42 3HG LYS 42 51.050 29.299 -1.606 1415 1HD LYS 42 2HD LYS 42 49.933 31.034 -3.681 1416 2HD LYS 42 3HD LYS 42 49.260 29.421 -3.810 1417 1HE LYS 42 2HE LYS 42 49.339 30.087 -1.010 1418 2HE LYS 42 3HE LYS 42 48.663 31.467 -1.851 1419 1HZ LYS 42 1HZ LYS 42 47.554 28.877 -1.478 1420 2HZ LYS 42 2HZ LYS 42 46.806 30.287 -1.823 1421 3HZ LYS 42 3HZ LYS 42 47.445 29.386 -3.026 1422 HA PRO 43 HA PRO 43 55.517 30.864 -6.921 1423 1HB PRO 43 2HB PRO 43 55.176 29.025 -8.913 1424 2HB PRO 43 3HB PRO 43 56.477 28.939 -7.742 1425 1HG PRO 43 2HG PRO 43 54.007 27.321 -7.892 1426 2HG PRO 43 3HG PRO 43 55.488 26.985 -7.019 1427 1HD PRO 43 2HD PRO 43 53.020 27.939 -5.911 1428 2HD PRO 43 3HD PRO 43 54.534 27.713 -5.057 1429 H ARG 44 HN ARG 44 53.298 32.122 -6.321 1430 HA ARG 44 HA ARG 44 51.525 33.127 -7.089 1431 1HB ARG 44 2HB ARG 44 53.368 34.303 -8.319 1432 2HB ARG 44 3HB ARG 44 53.178 33.197 -9.664 1433 1HG ARG 44 2HG ARG 44 50.796 33.971 -9.935 1434 2HG ARG 44 3HG ARG 44 51.034 35.111 -8.626 1435 1HD ARG 44 2HD ARG 44 52.021 36.608 -10.023 1436 2HD ARG 44 3HD ARG 44 53.191 35.418 -10.555 1437 HE ARG 44 HE ARG 44 50.655 36.109 -11.890 1438 1HH1 ARG 44 2HH2 ARG 44 53.308 33.810 -11.651 1439 2HH1 ARG 44 1HH2 ARG 44 53.046 33.147 -13.229 1440 1HH2 ARG 44 2HH1 ARG 44 50.308 35.235 -13.974 1441 2HH2 ARG 44 1HH1 ARG 44 51.328 33.964 -14.560 1442 H GLY 45 HN GLY 45 49.935 31.430 -7.041 1443 1HA GLY 45 1HA GLY 45 49.618 29.396 -8.882 1444 2HA GLY 45 2HA GLY 45 48.341 30.112 -7.919 1445 HA PRO 46 HA PRO 46 47.087 28.997 -8.962 1446 1HB PRO 46 2HB PRO 46 45.738 27.614 -10.895 1447 2HB PRO 46 3HB PRO 46 44.998 28.869 -9.922 1448 1HG PRO 46 2HG PRO 46 45.872 28.985 -12.743 1449 2HG PRO 46 3HG PRO 46 44.769 30.047 -11.891 1450 1HD PRO 46 2HD PRO 46 47.497 30.602 -12.578 1451 2HD PRO 46 3HD PRO 46 46.430 31.614 -11.625 1452 H ARG 47 HN ARG 47 47.744 26.885 -8.505 1453 HA ARG 47 HA ARG 47 49.009 25.373 -10.435 1454 1HB ARG 47 2HB ARG 47 50.710 27.398 -9.163 1455 2HB ARG 47 3HB ARG 47 51.307 25.789 -8.807 1456 1HG ARG 47 2HG ARG 47 50.518 26.490 -11.649 1457 2HG ARG 47 3HG ARG 47 52.067 27.025 -11.029 1458 1HD ARG 47 2HD ARG 47 51.248 24.122 -10.699 1459 2HD ARG 47 3HD ARG 47 51.875 24.673 -12.239 1460 HE ARG 47 HE ARG 47 53.495 25.411 -9.880 1461 1HH1 ARG 47 2HH2 ARG 47 52.993 23.141 -12.522 1462 2HH1 ARG 47 1HH2 ARG 47 54.609 22.518 -12.463 1463 1HH2 ARG 47 2HH1 ARG 47 55.627 24.589 -9.803 1464 2HH2 ARG 47 1HH1 ARG 47 56.116 23.347 -10.906 1465 H GLY 48 HN GLY 48 49.270 23.248 -9.626 1466 1HA GLY 48 1HA GLY 48 49.996 22.276 -7.274 1467 2HA GLY 48 2HA GLY 48 48.387 22.846 -6.875 1468 HA PRO 49 HA PRO 49 48.033 19.337 -10.076 1469 1HB PRO 49 2HB PRO 49 50.206 17.724 -10.451 1470 2HB PRO 49 3HB PRO 49 49.802 19.052 -11.521 1471 1HG PRO 49 2HG PRO 49 51.935 18.897 -9.480 1472 2HG PRO 49 3HG PRO 49 51.779 20.012 -10.823 1473 1HD PRO 49 2HD PRO 49 51.234 20.566 -8.063 1474 2HD PRO 49 3HD PRO 49 50.969 21.642 -9.420 1475 H ARG 50 HN ARG 50 48.104 16.754 -9.995 1476 HA ARG 50 HA ARG 50 48.098 16.187 -7.141 1477 1HB ARG 50 2HB ARG 50 45.779 16.416 -8.364 1478 2HB ARG 50 3HB ARG 50 46.171 14.874 -9.099 1479 1HG ARG 50 2HG ARG 50 45.250 13.935 -7.237 1480 2HG ARG 50 3HG ARG 50 46.743 14.372 -6.430 1481 1HD ARG 50 2HD ARG 50 45.672 16.652 -5.909 1482 2HD ARG 50 3HD ARG 50 44.160 15.998 -6.505 1483 HE ARG 50 HE ARG 50 43.938 14.813 -4.509 1484 1HH1 ARG 50 2HH2 ARG 50 47.331 15.625 -4.960 1485 2HH1 ARG 50 1HH2 ARG 50 47.817 15.004 -3.419 1486 1HH2 ARG 50 2HH1 ARG 50 44.578 13.993 -2.474 1487 2HH2 ARG 50 1HH1 ARG 50 46.241 14.068 -1.995 1488 HA PRO 51 HA PRO 51 50.778 13.130 -8.998 1489 1HB PRO 51 2HB PRO 51 52.391 12.759 -6.822 1490 2HB PRO 51 3HB PRO 51 52.708 13.962 -8.056 1491 1HG PRO 51 2HG PRO 51 51.657 14.347 -5.320 1492 2HG PRO 51 3HG PRO 51 52.373 15.529 -6.398 1493 1HD PRO 51 2HD PRO 51 49.582 15.200 -5.821 1494 2HD PRO 51 3HD PRO 51 50.289 16.303 -6.984 1495 H GLN 52 HN GLN 52 51.535 10.852 -8.338 1496 HA GLN 52 HA GLN 52 49.541 9.771 -6.529 1497 1HB GLN 52 2HB GLN 52 49.286 9.550 -9.301 1498 2HB GLN 52 3HB GLN 52 50.046 8.033 -8.862 1499 1HG GLN 52 2HG GLN 52 48.199 8.043 -6.919 1500 2HG GLN 52 3HG GLN 52 47.361 9.125 -8.013 1501 1HE2 GLN 52 1HE2 GLN 52 45.744 7.830 -8.644 1502 2HE2 GLN 52 2HE2 GLN 52 45.925 6.362 -9.544 1503 H THR 53 HN THR 53 51.495 9.778 -5.111 1504 HA THR 53 HA THR 53 53.728 8.153 -5.855 1505 HB THR 53 HB THR 53 54.373 8.647 -3.459 1506 HG1 THR 53 HG1 THR 53 51.862 8.632 -3.040 1507 1HG2 THR 53 1HG2 THR 53 53.207 11.000 -5.037 1508 2HG2 THR 53 2HG2 THR 53 54.231 11.179 -3.593 1509 3HG2 THR 53 3HG2 THR 53 54.896 10.439 -5.069 1510 H SER 54 HN SER 54 52.776 6.151 -6.508 1511 HA SER 54 HA SER 54 52.598 4.378 -4.322 1512 1HB SER 54 2HB SER 54 50.123 5.479 -5.376 1513 2HB SER 54 3HB SER 54 50.181 3.759 -5.708 1514 HG SER 54 HG SER 54 50.999 4.490 -3.107 1515 H LEU 55 HN LEU 55 53.506 2.466 -5.028 1516 HA LEU 55 HA LEU 55 53.878 2.181 -7.891 1517 1HB LEU 55 2HB LEU 55 55.499 0.480 -7.288 1518 2HB LEU 55 3HB LEU 55 55.822 2.006 -6.490 1519 HG LEU 55 HG LEU 55 54.274 0.631 -4.632 1520 1HD1 LEU 55 1HD1 LEU 55 54.315 -1.513 -5.352 1521 2HD1 LEU 55 2HD1 LEU 55 55.797 -1.286 -6.312 1522 3HD1 LEU 55 3HD1 LEU 55 55.903 -1.501 -4.548 1523 1HD2 LEU 55 1HD2 LEU 55 55.927 1.595 -3.500 1524 2HD2 LEU 55 2HD2 LEU 55 56.915 0.166 -3.890 1525 3HD2 LEU 55 3HD2 LEU 55 56.994 1.613 -4.924 1526 H LEU 56 HN LEU 56 53.246 0.307 -9.081 1527 HA LEU 56 HA LEU 56 50.988 -1.067 -7.821 1528 1HB LEU 56 2HB LEU 56 51.422 0.148 -10.384 1529 2HB LEU 56 3HB LEU 56 51.098 -1.561 -10.606 1530 HG LEU 56 HG LEU 56 49.130 -0.908 -8.833 1531 1HD1 LEU 56 1HD1 LEU 56 49.061 1.325 -8.634 1532 2HD1 LEU 56 2HD1 LEU 56 50.010 1.595 -10.116 1533 3HD1 LEU 56 3HD1 LEU 56 48.263 1.269 -10.223 1534 1HD2 LEU 56 1HD2 LEU 56 49.358 -1.429 -11.690 1535 2HD2 LEU 56 2HD2 LEU 56 48.157 -2.004 -10.509 1536 3HD2 LEU 56 3HD2 LEU 56 47.945 -0.421 -11.296 Start of MODEL 11 1 1H5* G 276 1H5* G 276 44.826 16.351 -19.806 2 2H5* G 276 2H5* G 276 45.384 17.636 -20.875 3 H4* G 276 H4* G 276 44.773 18.503 -18.684 4 H3* G 276 H3* G 276 47.642 18.721 -19.542 5 H2* G 276 H2* G 276 48.168 19.912 -17.558 6 2HO* G 276 2HO* G 276 46.486 20.920 -16.524 7 H1* G 276 H1* G 276 46.913 18.102 -15.867 8 H8 G 276 H8 G 276 48.334 16.037 -18.564 9 H1 G 276 H1 G 276 52.816 18.001 -14.329 10 1H2 G 276 1H2 G 276 52.020 19.464 -13.113 11 2H2 G 276 2H2 G 276 50.383 20.069 -13.225 12 1H5* G 277 1H5* G 277 47.182 22.537 -18.158 13 2H5* G 277 2H5* G 277 47.563 23.627 -19.491 14 H4* G 277 H4* G 277 48.954 24.228 -17.671 15 H3* G 277 H3* G 277 50.462 22.723 -19.812 16 H2* G 277 H2* G 277 52.472 23.228 -18.674 17 2HO* G 277 2HO* G 277 52.356 25.219 -17.824 18 H1* G 277 H1* G 277 51.293 22.669 -16.126 19 H8 G 277 H8 G 277 50.557 19.984 -18.582 20 H1 G 277 H1 G 277 56.407 19.413 -15.876 21 1H2 G 277 1H2 G 277 56.854 21.134 -14.833 22 2H2 G 277 2H2 G 277 55.801 22.526 -14.710 23 1H5* C 278 1H5* C 278 51.873 26.800 -19.489 24 2H5* C 278 2H5* C 278 52.727 27.427 -20.899 25 H4* C 278 H4* C 278 54.119 27.368 -18.868 26 H3* C 278 H3* C 278 54.957 25.743 -21.261 27 H2* C 278 H2* C 278 56.991 25.211 -20.160 28 2HO* C 278 2HO* C 278 56.010 26.974 -18.106 29 H1* C 278 H1* C 278 55.714 24.545 -17.748 30 1H4 C 278 1H4 C 278 56.577 19.022 -20.870 31 2H4 C 278 2H4 C 278 55.003 19.237 -21.603 32 H5 C 278 H5 C 278 53.691 21.185 -21.356 33 H6 C 278 H6 C 278 53.566 23.430 -20.334 34 1H5* G 279 1H5* G 279 57.993 28.746 -20.519 35 2H5* G 279 2H5* G 279 58.793 29.314 -21.985 36 H4* G 279 H4* G 279 60.407 28.397 -20.431 37 H3* G 279 H3* G 279 59.996 26.848 -22.985 38 H2* G 279 H2* G 279 61.851 25.479 -22.398 39 2HO* G 279 2HO* G 279 63.300 26.736 -21.373 40 H1* G 279 H1* G 279 60.911 25.130 -19.753 41 H8 G 279 H8 G 279 57.994 24.819 -21.967 42 H1 G 279 H1 G 279 61.681 19.501 -21.995 43 1H2 G 279 1H2 G 279 63.483 19.907 -21.078 44 2H2 G 279 2H2 G 279 63.929 21.458 -20.402 45 1H5* G 280 1H5* G 280 64.573 28.259 -23.952 46 2H5* G 280 2H5* G 280 64.219 28.274 -25.679 47 H4* G 280 H4* G 280 66.091 26.755 -24.912 48 H3* G 280 H3* G 280 63.819 25.829 -26.645 49 H2* G 280 H2* G 280 64.813 23.680 -26.822 50 2HO* G 280 2HO* G 280 66.940 24.999 -25.394 51 H1* G 280 H1* G 280 65.259 23.421 -24.089 52 H8 G 280 H8 G 280 62.054 25.203 -24.333 53 H1 G 280 H1 G 280 61.466 18.894 -25.651 54 1H2 G 280 1H2 G 280 63.338 18.066 -25.902 55 2H2 G 280 2H2 G 280 64.843 18.949 -25.776 56 1H5* U 281 1H5* U 281 66.639 24.308 -28.243 57 2H5* U 281 2H5* U 281 67.221 24.837 -29.821 58 H4* U 281 H4* U 281 67.095 22.574 -30.135 59 H3* U 281 H3* U 281 64.425 23.690 -30.996 60 H2* U 281 H2* U 281 63.823 21.528 -31.745 61 2HO* U 281 2HO* U 281 66.099 20.167 -31.132 62 H1* U 281 H1* U 281 64.920 20.287 -29.421 63 H3 U 281 H3 U 281 60.472 19.305 -29.288 64 H5 U 281 H5 U 281 60.704 23.292 -28.029 65 H6 U 281 H6 U 281 63.075 23.248 -28.653 66 2HO* AP7 282 2HO* A 282 63.304 18.189 -35.527 67 H2* AP7 282 H2* A 282 61.479 20.124 -35.667 68 H3* AP7 282 H3* A 282 62.784 22.098 -35.791 69 H4* AP7 282 H4* A 282 65.270 20.393 -35.668 70 H1* AP7 282 H1* A 282 63.087 19.032 -33.598 71 H8 AP7 282 H8 A 282 62.203 22.672 -33.206 72 H2 AP7 282 H2 A 282 59.171 17.174 -31.822 73 H1 AP7 282 H1 A 282 57.815 18.614 -30.732 74 1H6 AP7 282 1H6 A 282 57.182 20.730 -30.049 75 2H6 AP7 282 2H6 A 282 58.111 22.139 -30.507 76 2H5* AP7 282 2H5* A 282 65.462 22.827 -36.149 77 1H5* AP7 282 1H5* A 282 66.348 22.289 -34.723 78 1H5* C 283 1H5* C 283 62.596 19.454 -39.113 79 2H5* C 283 2H5* C 283 61.507 19.938 -40.413 80 H4* C 283 H4* C 283 60.686 17.978 -39.201 81 H3* C 283 H3* C 283 59.046 20.498 -39.126 82 H2* C 283 H2* C 283 57.332 19.342 -37.957 83 2HO* C 283 2HO* C 283 57.952 17.434 -39.332 84 H1* C 283 H1* C 283 59.129 18.198 -36.122 85 1H4 C 283 1H4 C 283 56.743 23.439 -33.307 86 2H4 C 283 2H4 C 283 58.116 24.333 -33.920 87 H5 C 283 H5 C 283 59.710 23.434 -35.413 88 H6 C 283 H6 C 283 60.387 21.436 -36.697 89 1H5* U 284 1H5* U 284 56.423 17.629 -40.573 90 2H5* U 284 2H5* U 284 55.768 18.074 -42.149 91 H4* U 284 H4* U 284 53.909 17.512 -40.838 92 H3* U 284 H3* U 284 54.232 20.492 -41.082 93 H2* U 284 H2* U 284 52.203 20.805 -39.890 94 2HO* U 284 2HO* U 284 51.163 19.031 -40.904 95 H1* U 284 H1* U 284 52.893 19.018 -37.856 96 H3 U 284 H3 U 284 53.214 23.059 -35.825 97 H5 U 284 H5 U 284 56.666 22.839 -38.186 98 H6 U 284 H6 U 284 55.755 20.777 -39.150 99 1H5* A 285 1H5* A 285 49.768 19.907 -42.591 100 2H5* A 285 2H5* A 285 49.765 21.310 -43.659 101 H4* A 285 H4* A 285 48.087 21.217 -41.704 102 H3* A 285 H3* A 285 49.746 23.613 -42.459 103 H2* A 285 H2* A 285 48.629 24.892 -40.799 104 2HO* A 285 2HO* A 285 46.820 23.685 -39.694 105 H1* A 285 H1* A 285 48.933 22.934 -38.819 106 H8 A 285 H8 A 285 52.053 22.967 -40.799 107 1H6 A 285 1H6 A 285 53.929 27.796 -37.318 108 2H6 A 285 2H6 A 285 54.446 26.616 -38.501 109 H2 A 285 H2 A 285 49.627 27.065 -36.478 110 1H5* G 286 1H5* G 286 45.683 25.230 -42.069 111 2H5* G 286 2H5* G 286 45.512 26.273 -43.481 112 H4* G 286 H4* G 286 45.062 27.531 -41.479 113 H3* G 286 H3* G 286 47.615 28.269 -42.908 114 H2* G 286 H2* G 286 47.840 30.125 -41.445 115 2HO* G 286 2HO* G 286 45.975 30.577 -40.060 116 H1* G 286 H1* G 286 47.205 28.540 -39.169 117 H8 G 286 H8 G 286 49.603 26.698 -41.289 118 H1 G 286 H1 G 286 52.452 31.235 -37.659 119 1H2 G 286 1H2 G 286 51.014 32.457 -36.829 120 2H2 G 286 2H2 G 286 49.291 32.279 -37.079 121 1H5* U 287 1H5* U 287 45.034 31.499 -42.534 122 2H5* U 287 2H5* U 287 45.068 32.735 -43.791 123 H4* U 287 H4* U 287 45.556 33.744 -41.667 124 H3* U 287 H3* U 287 47.875 33.603 -43.585 125 H2* U 287 H2* U 287 49.169 34.900 -42.077 126 2HO* U 287 2HO* U 287 48.017 36.247 -40.802 127 H1* U 287 H1* U 287 48.338 33.350 -39.847 128 H3 U 287 H3 U 287 52.843 32.691 -40.254 129 H5 U 287 H5 U 287 51.125 30.170 -43.123 130 H6 U 287 H6 U 287 48.977 31.251 -42.643 131 1H5* U 288 1H5* U 288 47.632 37.299 -42.555 132 2H5* U 288 2H5* U 288 47.675 38.584 -43.763 133 H4* U 288 H4* U 288 49.493 39.043 -42.391 134 H3* U 288 H3* U 288 50.466 37.531 -44.819 135 H2* U 288 H2* U 288 52.683 37.926 -44.107 136 2HO* U 288 2HO* U 288 51.759 39.474 -41.914 137 H1* U 288 H1* U 288 51.997 37.403 -41.367 138 H3 U 288 H3 U 288 55.209 34.328 -42.370 139 H5 U 288 H5 U 288 51.746 32.876 -44.226 140 H6 U 288 H6 U 288 50.664 34.998 -43.645 141 1H5* G 289 1H5* G 289 52.383 40.912 -45.168 142 2H5* G 289 2H5* G 289 52.597 41.635 -46.762 143 H4* G 289 H4* G 289 54.743 40.990 -46.068 144 H3* G 289 H3* G 289 53.616 38.973 -48.015 145 H2* G 289 H2* G 289 55.731 37.924 -48.062 146 2HO* G 289 2HO* G 289 57.487 39.180 -46.948 147 H1* G 289 H1* G 289 56.059 38.255 -45.225 148 H8 G 289 H8 G 289 52.841 36.767 -46.548 149 H1 G 289 H1 G 289 57.429 32.424 -45.146 150 1H2 G 289 1H2 G 289 59.189 33.401 -44.697 151 2H2 G 289 2H2 G 289 59.390 35.138 -44.699 152 1H5* A 290 1H5* A 290 54.604 38.328 -51.980 153 2H5* A 290 2H5* A 290 55.148 37.844 -50.374 154 H4* A 290 H4* A 290 56.531 37.380 -52.633 155 H3* A 290 H3* A 290 57.403 37.656 -49.790 156 H2* A 290 H2* A 290 59.692 37.580 -50.390 157 2HO* A 290 2HO* A 290 59.271 35.965 -52.006 158 H1* A 290 H1* A 290 59.540 39.482 -52.363 159 H8 A 290 H8 A 290 57.125 39.833 -49.431 160 1H6 A 290 1H6 A 290 61.326 43.784 -47.043 161 2H6 A 290 2H6 A 290 59.733 43.098 -46.811 162 H2 A 290 H2 A 290 63.021 42.030 -50.757 163 1H5* G 291 1H5* G 291 60.687 34.858 -51.091 164 2H5* G 291 2H5* G 291 60.550 33.780 -49.702 165 H4* G 291 H4* G 291 62.742 34.995 -49.955 166 H3* G 291 H3* G 291 61.139 34.938 -47.440 167 H2* G 291 H2* G 291 62.675 36.358 -46.316 168 2HO* G 291 2HO* G 291 64.541 36.984 -47.965 169 H1* G 291 H1* G 291 62.742 38.255 -48.354 170 H8 G 291 H8 G 291 59.480 36.444 -47.527 171 H1 G 291 H1 G 291 60.202 42.239 -44.739 172 1H2 G 291 1H2 G 291 62.080 42.979 -45.163 173 2H2 G 291 2H2 G 291 63.281 42.151 -46.129 174 1H5* A 292 1H5* A 292 64.358 30.293 -45.798 175 2H5* A 292 2H5* A 292 62.893 31.063 -45.189 176 H4* A 292 H4* A 292 65.672 32.067 -45.302 177 H3* A 292 H3* A 292 63.327 32.340 -43.426 178 H2* A 292 H2* A 292 64.387 34.221 -42.440 179 2HO* A 292 2HO* A 292 66.550 33.515 -44.209 180 H1* A 292 H1* A 292 65.065 35.295 -44.993 181 H8 A 292 H8 A 292 61.571 33.951 -44.301 182 1H6 A 292 1H6 A 292 59.999 39.883 -43.166 183 2H6 A 292 2H6 A 292 59.376 38.257 -43.325 184 H2 A 292 H2 A 292 64.390 39.711 -43.826 185 1H5* A 293 1H5* A 293 65.829 33.733 -40.150 186 2H5* A 293 2H5* A 293 64.847 32.877 -38.963 187 H4* A 293 H4* A 293 64.678 35.473 -39.221 188 H3* A 293 H3* A 293 62.439 33.536 -38.718 189 H2* A 293 H2* A 293 60.882 35.324 -38.646 190 2HO* A 293 2HO* A 293 63.080 37.108 -39.072 191 H1* A 293 H1* A 293 61.778 36.512 -40.988 192 H8 A 293 H8 A 293 62.148 32.913 -41.620 193 1H6 A 293 1H6 A 293 56.039 32.703 -42.878 194 2H6 A 293 2H6 A 293 57.536 31.804 -42.969 195 H2 A 293 H2 A 293 56.945 36.646 -41.041 196 1H5* A 294 1H5* A 294 61.660 37.301 -36.242 197 2H5* A 294 2H5* A 294 61.490 36.535 -34.663 198 H4* A 294 H4* A 294 59.634 38.010 -35.036 199 H3* A 294 H3* A 294 59.016 35.076 -35.000 200 H2* A 294 H2* A 294 56.703 35.517 -35.299 201 2HO* A 294 2HO* A 294 57.506 38.280 -35.152 202 H1* A 294 H1* A 294 57.167 37.345 -37.398 203 H8 A 294 H8 A 294 59.402 34.375 -37.698 204 1H6 A 294 1H6 A 294 54.754 31.567 -40.774 205 2H6 A 294 2H6 A 294 56.441 31.438 -40.329 206 H2 A 294 H2 A 294 53.190 35.347 -39.040 207 1H5* C 295 1H5* C 295 56.656 37.181 -32.711 208 2H5* C 295 2H5* C 295 56.090 36.718 -31.106 209 H4* C 295 H4* C 295 54.142 37.022 -32.352 210 H3* C 295 H3* C 295 54.821 34.096 -32.151 211 H2* C 295 H2* C 295 52.803 33.562 -33.273 212 2HO* C 295 2HO* C 295 52.355 36.392 -32.967 213 H1* C 295 H1* C 295 53.209 35.597 -35.220 214 1H4 C 295 1H4 C 295 54.908 30.196 -38.167 215 2H4 C 295 2H4 C 295 56.441 30.229 -37.325 216 H5 C 295 H5 C 295 56.995 31.810 -35.660 217 H6 C 295 H6 C 295 56.206 33.767 -34.379 218 1H5* U 296 1H5* U 296 50.850 34.367 -29.993 219 2H5* U 296 2H5* U 296 50.876 33.060 -28.809 220 H4* U 296 H4* U 296 49.039 32.882 -30.460 221 H3* U 296 H3* U 296 51.067 30.669 -30.232 222 H2* U 296 H2* U 296 49.830 29.381 -31.778 223 2HO* U 296 2HO* U 296 47.727 30.855 -32.372 224 H1* U 296 H1* U 296 49.365 31.661 -33.455 225 H3 U 296 H3 U 296 51.605 28.566 -35.989 226 H5 U 296 H5 U 296 54.559 30.456 -33.699 227 H6 U 296 H6 U 296 52.753 31.543 -32.446 228 1H5* A 297 1H5* A 297 47.106 29.043 -29.192 229 2H5* A 297 2H5* A 297 47.242 27.690 -28.070 230 H4* A 297 H4* A 297 46.105 27.029 -30.114 231 H3* A 297 H3* A 297 48.758 25.760 -29.510 232 H2* A 297 H2* A 297 48.538 24.359 -31.421 233 2HO* A 297 2HO* A 297 46.139 25.498 -32.274 234 H1* A 297 H1* A 297 47.841 26.520 -33.091 235 H8 A 297 H8 A 297 50.541 27.731 -30.913 236 1H6 A 297 1H6 A 297 54.609 24.941 -34.735 237 2H6 A 297 2H6 A 297 54.457 26.063 -33.403 238 H2 A 297 H2 A 297 50.525 23.548 -35.796 239 1H5* G 298 1H5* G 298 46.312 22.639 -30.786 240 2H5* G 298 2H5* G 298 46.290 21.410 -29.520 241 H4* G 298 H4* G 298 46.808 20.265 -31.501 242 H3* G 298 H3* G 298 49.208 20.696 -29.759 243 H2* G 298 H2* G 298 50.582 19.516 -31.300 244 2HO* G 298 2HO* G 298 49.326 18.618 -33.206 245 H1* G 298 H1* G 298 49.543 20.968 -33.502 246 H8 G 298 H8 G 298 50.164 23.386 -30.806 247 H1 G 298 H1 G 298 55.608 21.613 -33.821 248 1H2 G 298 1H2 G 298 55.234 19.971 -35.011 249 2H2 G 298 2H2 G 298 53.676 19.191 -35.168 250 1H5* C 299 1H5* C 299 49.442 17.335 -30.824 251 2H5* C 299 2H5* C 299 49.559 15.857 -29.869 252 H4* C 299 H4* C 299 51.478 15.880 -31.212 253 H3* C 299 H3* C 299 52.077 16.728 -28.394 254 H2* C 299 H2* C 299 54.365 16.956 -28.911 255 2HO* C 299 2HO* C 299 55.095 15.595 -30.458 256 H1* C 299 H1* C 299 53.755 18.165 -31.459 257 1H4 C 299 1H4 C 299 56.051 22.850 -27.749 258 2H4 C 299 2H4 C 299 54.434 23.097 -27.127 259 H5 C 299 H5 C 299 52.599 21.703 -27.642 260 H6 C 299 H6 C 299 51.855 19.708 -28.894 261 1H5* U 300 1H5* U 300 54.259 13.679 -30.295 262 2H5* U 300 2H5* U 300 54.717 12.245 -29.377 263 H4* U 300 H4* U 300 56.633 12.828 -30.582 264 H3* U 300 H3* U 300 56.827 13.744 -27.724 265 H2* U 300 H2* U 300 59.032 14.516 -28.118 266 2HO* U 300 2HO* U 300 59.447 13.963 -30.683 267 H1* U 300 H1* U 300 58.398 15.851 -30.475 268 H3 U 300 H3 U 300 58.890 19.337 -27.655 269 H5 U 300 H5 U 300 55.298 17.582 -26.408 270 H6 U 300 H6 U 300 55.739 15.776 -28.005 271 1H5* C 301 1H5* C 301 59.867 10.548 -28.066 272 2H5* C 301 2H5* C 301 60.489 10.080 -26.483 273 H4* C 301 H4* C 301 62.070 11.440 -27.817 274 H3* C 301 H3* C 301 61.151 12.370 -25.117 275 H2* C 301 H2* C 301 62.544 14.278 -25.257 276 2HO* C 301 2HO* C 301 64.152 12.840 -26.324 277 H1* C 301 H1* C 301 61.772 14.754 -27.976 278 1H4 C 301 1H4 C 301 58.704 19.159 -24.498 279 2H4 C 301 2H4 C 301 57.447 17.986 -24.175 280 H5 C 301 H5 C 301 57.564 15.718 -24.825 281 H6 C 301 H6 C 301 58.929 14.002 -25.958 282 1H5* U 302 1H5* U 302 65.155 12.454 -24.690 283 2H5* U 302 2H5* U 302 65.785 11.698 -23.227 284 H4* U 302 H4* U 302 66.466 13.897 -23.014 285 H3* U 302 H3* U 302 63.926 13.486 -21.459 286 H2* U 302 H2* U 302 64.042 15.725 -20.679 287 2HO* U 302 2HO* U 302 66.297 16.486 -22.058 288 H1* U 302 H1* U 302 64.548 16.767 -23.239 289 H3 U 302 H3 U 302 60.342 18.274 -22.847 290 H5 U 302 H5 U 302 59.843 14.118 -22.745 291 H6 U 302 H6 U 302 62.287 13.922 -22.788 292 1H5* G 303 1H5* G 303 66.603 14.993 -19.035 293 2H5* G 303 2H5* G 303 66.744 14.546 -17.335 294 H4* G 303 H4* G 303 66.092 16.773 -17.272 295 H3* G 303 H3* G 303 63.637 15.043 -16.931 296 H2* G 303 H2* G 303 62.401 16.993 -16.465 297 2HO* G 303 2HO* G 303 65.013 18.206 -16.391 298 H1* G 303 H1* G 303 63.813 18.478 -18.495 299 H8 G 303 H8 G 303 62.400 15.242 -19.691 300 H1 G 303 H1 G 303 58.132 20.106 -19.794 301 1H2 G 303 1H2 G 303 58.913 21.729 -18.790 302 2H2 G 303 2H2 G 303 60.489 21.766 -18.034 303 1H5* U 304 1H5* U 304 64.509 17.160 -13.443 304 2H5* U 304 2H5* U 304 63.876 16.657 -11.875 305 H4* U 304 H4* U 304 62.937 18.795 -12.624 306 H3* U 304 H3* U 304 61.063 16.464 -12.259 307 H2* U 304 H2* U 304 59.227 17.896 -12.667 308 2HO* U 304 2HO* U 304 59.539 19.957 -12.027 309 H1* U 304 H1* U 304 60.586 19.187 -14.833 310 H3 U 304 H3 U 304 56.773 17.324 -16.565 311 H5 U 304 H5 U 304 59.515 14.169 -16.307 312 H6 U 304 H6 U 304 60.982 15.678 -15.048 313 1H5* A 305 1H5* A 305 61.442 17.927 -7.448 314 2H5* A 305 2H5* A 305 60.182 16.827 -6.889 315 H4* A 305 H4* A 305 59.669 19.342 -7.503 316 H3* A 305 H3* A 305 57.934 16.925 -7.913 317 H2* A 305 H2* A 305 56.233 18.281 -8.849 318 2HO* A 305 2HO* A 305 57.531 20.700 -8.686 319 H1* A 305 H1* A 305 58.099 19.729 -10.443 320 H8 A 305 H8 A 305 58.789 16.100 -10.673 321 1H6 A 305 1H6 A 305 54.429 15.806 -15.129 322 2H6 A 305 2H6 A 305 55.711 14.916 -14.340 323 H2 A 305 H2 A 305 54.196 19.811 -13.217 324 1H5* U 306 1H5* U 306 53.765 17.949 -5.374 325 2H5* U 306 2H5* U 306 53.528 19.634 -5.836 326 H4* U 306 H4* U 306 53.156 18.688 -3.345 327 H3* U 306 H3* U 306 53.922 21.444 -4.283 328 H2* U 306 H2* U 306 54.173 22.159 -2.095 329 2HO* U 306 2HO* U 306 52.262 21.573 -1.201 330 H1* U 306 H1* U 306 54.843 19.392 -1.254 331 H3 U 306 H3 U 306 58.731 20.538 0.619 332 H5 U 306 H5 U 306 58.183 23.575 -2.214 333 H6 U 306 H6 U 306 56.139 22.415 -2.915 334 1H5* C 307 1H5* C 307 50.292 20.982 -1.027 335 2H5* C 307 2H5* C 307 49.290 21.230 -2.458 336 H4* C 307 H4* C 307 48.765 22.136 0.097 337 H3* C 307 H3* C 307 47.607 22.723 -2.598 338 H2* C 307 H2* C 307 46.303 24.504 -1.713 339 2HO* C 307 2HO* C 307 46.672 24.751 0.748 340 H1* C 307 H1* C 307 48.469 25.669 -0.382 341 1H4 C 307 1H4 C 307 48.028 28.583 -6.078 342 2H4 C 307 2H4 C 307 49.245 27.477 -6.674 343 H5 C 307 H5 C 307 50.077 25.646 -5.436 344 H6 C 307 H6 C 307 49.944 24.413 -3.301 345 1H5* U 308 1H5* U 308 45.069 19.371 -2.020 346 2H5* U 308 2H5* U 308 43.384 19.237 -1.520 347 H4* U 308 H4* U 308 44.244 17.377 -0.525 348 H3* U 308 H3* U 308 44.575 19.586 1.507 349 H2* U 308 H2* U 308 45.620 18.112 2.930 350 2HO* U 308 2HO* U 308 44.202 16.095 1.438 351 H1* U 308 H1* U 308 46.253 16.351 0.584 352 H3 U 308 H3 U 308 50.614 15.888 1.491 353 H5 U 308 H5 U 308 49.550 19.206 3.813 354 H6 U 308 H6 U 308 47.313 19.061 2.819 355 1H5* G 309 1H5* G 309 41.701 17.586 5.349 356 2H5* G 309 2H5* G 309 40.597 18.635 4.459 357 H4* G 309 H4* G 309 41.248 19.290 6.851 358 H3* G 309 H3* G 309 41.245 21.166 4.500 359 H2* G 309 H2* G 309 41.852 22.956 5.908 360 2HO* G 309 2HO* G 309 41.652 21.213 8.160 361 H1* G 309 H1* G 309 43.669 21.236 7.381 362 H8 G 309 H8 G 309 43.587 22.007 3.624 363 H1 G 309 H1 G 309 48.292 24.930 6.969 364 1H2 G 309 1H2 G 309 48.097 24.480 8.972 365 2H2 G 309 2H2 G 309 46.843 23.461 9.645 366 1H5* G 310 1H5* G 310 40.398 23.886 7.285 367 2H5* G 310 2H5* G 310 38.824 23.129 7.525 368 H4* G 310 H4* G 310 39.236 25.733 7.869 369 H3* G 310 H3* G 310 36.747 24.382 6.810 370 H2* G 310 H2* G 310 35.678 26.479 6.811 371 2HO* G 310 2HO* G 310 37.985 27.109 8.400 372 H1* G 310 H1* G 310 38.089 27.794 5.903 373 H8 G 310 H8 G 310 37.234 24.986 3.680 374 H1 G 310 H1 G 310 33.710 30.274 2.457 375 1H2 G 310 1H2 G 310 33.956 31.635 3.987 376 2H2 G 310 2H2 G 310 34.967 31.381 5.393 377 1H5* C 311 1H5* C 311 35.907 26.312 10.371 378 2H5* C 311 2H5* C 311 34.930 25.490 11.587 379 H4* C 311 H4* C 311 33.792 27.473 11.293 380 H3* C 311 H3* C 311 32.528 25.403 9.501 381 H2* C 311 H2* C 311 30.840 26.981 8.943 382 2HO* C 311 2HO* C 311 30.421 28.291 10.620 383 H1* C 311 H1* C 311 32.745 29.040 8.524 384 1H4 C 311 1H4 C 311 31.331 26.926 2.667 385 2H4 C 311 2H4 C 311 32.420 25.576 2.903 386 H5 C 311 H5 C 311 33.522 25.117 4.941 387 H6 C 311 H6 C 311 33.856 25.845 7.275 388 1H5* G 312 1H5* G 312 28.643 26.623 12.359 389 2H5* G 312 2H5* G 312 27.578 25.573 11.425 390 H4* G 312 H4* G 312 27.560 28.311 11.392 391 H3* G 312 H3* G 312 26.425 26.228 9.572 392 H2* G 312 H2* G 312 25.786 27.877 7.980 393 2HO* G 312 2HO* G 312 25.390 29.306 9.909 394 H1* G 312 H1* G 312 28.265 29.051 7.836 395 H8 G 312 H8 G 312 29.423 25.711 8.437 396 H1 G 312 H1 G 312 26.648 26.141 2.606 397 1H2 G 312 1H2 G 312 25.566 27.892 2.485 398 2H2 G 312 2H2 G 312 25.431 29.069 3.772 399 1H5* G 313 1H5* G 313 24.255 29.419 8.322 400 2H5* G 313 2H5* G 313 22.710 29.144 9.123 401 H4* G 313 H4* G 313 22.136 29.599 6.914 402 H3* G 313 H3* G 313 22.108 26.639 7.431 403 H2* G 313 H2* G 313 21.366 26.243 5.218 404 2HO* G 313 2HO* G 313 21.353 28.989 4.582 405 H1* G 313 H1* G 313 23.244 27.905 4.025 406 H8 G 313 H8 G 313 24.573 26.132 7.077 407 H1 G 313 H1 G 313 25.163 22.770 1.579 408 1H2 G 313 1H2 G 313 24.145 23.736 0.069 409 2H2 G 313 2H2 G 313 23.262 25.234 0.264 410 1H5* A 314 1H5* A 314 18.759 28.234 5.473 411 2H5* A 314 2H5* A 314 17.255 27.316 5.524 412 H4* A 314 H4* A 314 18.093 27.606 3.241 413 H3* A 314 H3* A 314 17.867 24.824 4.355 414 H2* A 314 H2* A 314 18.501 23.923 2.254 415 2HO* A 314 2HO* A 314 18.689 25.534 0.482 416 H1* A 314 H1* A 314 20.698 25.586 1.940 417 H8 A 314 H8 A 314 20.061 24.618 5.534 418 1H6 A 314 1H6 A 314 23.834 19.759 4.484 419 2H6 A 314 2H6 A 314 22.950 20.626 5.720 420 H2 A 314 H2 A 314 23.105 21.814 0.613 421 1H5* C 315 1H5* C 315 17.370 24.017 0.432 422 2H5* C 315 2H5* C 315 15.753 23.320 0.332 423 H4* C 315 H4* C 315 17.704 21.904 -0.490 424 H3* C 315 H3* C 315 15.306 21.080 0.565 425 H2* C 315 H2* C 315 16.080 20.578 2.731 426 2HO* C 315 2HO* C 315 15.319 18.647 1.938 427 H1* C 315 H1* C 315 18.674 19.427 1.680 428 1H4 C 315 1H4 C 315 20.783 20.840 7.504 429 2H4 C 315 2H4 C 315 19.552 22.067 7.696 430 H5 C 315 H5 C 315 17.969 22.616 6.032 431 H6 C 315 H6 C 315 17.169 22.116 3.750 432 1H5* C 316 1H5* C 316 15.448 20.729 -3.792 433 2H5* C 316 2H5* C 316 15.141 19.209 -4.633 434 H4* C 316 H4* C 316 16.933 20.283 -5.749 435 H3* C 316 H3* C 316 17.862 17.970 -4.047 436 H2* C 316 H2* C 316 20.018 18.202 -4.999 437 2HO* C 316 2HO* C 316 19.511 18.613 -7.113 438 H1* C 316 H1* C 316 19.954 21.039 -4.758 439 1H4 C 316 1H4 C 316 23.622 19.020 0.070 440 2H4 C 316 2H4 C 316 22.179 18.698 1.005 441 H5 C 316 H5 C 316 19.986 18.890 0.149 442 H6 C 316 H6 C 316 18.626 19.444 -1.836 443 1H5* C 317 1H5* C 317 18.232 16.690 -8.289 444 2H5* C 317 2H5* C 317 18.114 14.939 -8.466 445 H4* C 317 H4* C 317 20.246 15.672 -9.282 446 H3* C 317 H3* C 317 20.341 14.116 -6.704 447 H2* C 317 H2* C 317 22.711 14.111 -6.823 448 2HO* C 317 2HO* C 317 22.938 15.595 -9.142 449 H1* C 317 H1* C 317 22.854 16.856 -7.425 450 1H4 C 317 1H4 C 317 23.773 16.590 -1.115 451 2H4 C 317 2H4 C 317 22.048 16.419 -0.877 452 H5 C 317 H5 C 317 20.491 16.195 -2.639 453 H6 C 317 H6 C 317 20.205 16.080 -5.089 454 1H5* G 318 1H5* G 318 22.672 12.117 -9.391 455 2H5* G 318 2H5* G 318 22.232 10.434 -9.685 456 H4* G 318 H4* G 318 24.512 10.333 -9.285 457 H3* G 318 H3* G 318 23.016 9.658 -6.763 458 H2* G 318 H2* G 318 25.075 9.194 -5.676 459 2HO* G 318 2HO* G 318 25.776 8.322 -7.844 460 H1* G 318 H1* G 318 26.297 11.549 -6.562 461 H8 G 318 H8 G 318 22.654 11.965 -5.683 462 H1 G 318 H1 G 318 26.693 12.684 -0.678 463 1H2 G 318 1H2 G 318 28.600 12.146 -1.249 464 2H2 G 318 2H2 G 318 29.040 11.583 -2.846 465 1H5* U 319 1H5* U 319 24.733 6.792 -6.983 466 2H5* U 319 2H5* U 319 24.379 5.091 -6.681 467 H4* U 319 H4* U 319 24.375 7.366 -4.855 468 H3* U 319 H3* U 319 24.670 4.384 -4.639 469 H2* U 319 H2* U 319 24.277 4.523 -2.290 470 2HO* U 319 2HO* U 319 25.423 6.547 -2.159 471 H1* U 319 H1* U 319 21.985 6.131 -2.669 472 H3 U 319 H3 U 319 19.711 2.499 -1.394 473 H5 U 319 H5 U 319 21.860 1.095 -4.703 474 H6 U 319 H6 U 319 22.917 3.304 -4.830 475 1H5* G 320 1H5* G 320 27.017 7.710 -4.178 476 2H5* G 320 2H5* G 320 27.674 8.609 -5.545 477 H4* G 320 H4* G 320 29.938 7.522 -4.864 478 H3* G 320 H3* G 320 28.255 6.703 -2.586 479 H2* G 320 H2* G 320 29.706 7.563 -0.921 480 2HO* G 320 2HO* G 320 31.793 7.606 -1.530 481 H1* G 320 H1* G 320 29.908 10.077 -1.967 482 H8 G 320 H8 G 320 26.566 9.272 -3.132 483 H1 G 320 H1 G 320 26.675 10.214 3.270 484 1H2 G 320 1H2 G 320 28.628 10.204 3.934 485 2H2 G 320 2H2 G 320 30.027 9.975 2.910 486 1H5* G 321 1H5* G 321 32.379 5.711 -1.282 487 2H5* G 321 2H5* G 321 32.243 4.036 -0.748 488 H4* G 321 H4* G 321 33.236 5.436 0.974 489 H3* G 321 H3* G 321 30.586 4.153 1.532 490 H2* G 321 H2* G 321 30.562 5.060 3.728 491 2HO* G 321 2HO* G 321 32.864 4.731 3.927 492 H1* G 321 H1* G 321 31.298 7.637 2.787 493 H8 G 321 H8 G 321 28.718 6.551 0.476 494 H1 G 321 H1 G 321 26.222 8.133 6.234 495 1H2 G 321 1H2 G 321 27.738 8.289 7.622 496 2H2 G 321 2H2 G 321 29.434 8.029 7.279 497 1H5* U 322 1H5* U 322 33.107 1.780 4.399 498 2H5* U 322 2H5* U 322 32.173 0.329 4.762 499 H4* U 322 H4* U 322 32.294 2.062 6.587 500 H3* U 322 H3* U 322 29.700 0.935 5.580 501 H2* U 322 H2* U 322 28.497 2.201 7.171 502 2HO* U 322 2HO* U 322 29.584 2.715 9.014 503 H1* U 322 H1* U 322 30.155 4.510 6.677 504 H3 U 322 H3 U 322 25.904 5.929 5.826 505 H5 U 322 H5 U 322 26.923 3.595 2.500 506 H6 U 322 H6 U 322 28.952 2.934 3.709 507 1H5* G 323 1H5* G 323 29.886 -0.664 9.943 508 2H5* G 323 2H5* G 323 29.506 -2.369 9.700 509 H4* G 323 H4* G 323 28.025 -1.647 11.358 510 H3* G 323 H3* G 323 26.699 -1.856 8.679 511 H2* G 323 H2* G 323 24.611 -1.217 9.630 512 2HO* G 323 2HO* G 323 26.062 -1.098 12.110 513 H1* G 323 H1* G 323 25.628 1.037 10.870 514 H8 G 323 H8 G 323 27.528 0.593 7.708 515 H1 G 323 H1 G 323 21.735 3.344 6.832 516 1H2 G 323 1H2 G 323 20.634 3.199 8.568 517 2H2 G 323 2H2 G 323 21.196 2.444 10.043 518 1H5* G 324 1H5* G 324 23.648 -4.908 7.759 519 2H5* G 324 2H5* G 324 24.216 -3.805 6.505 520 H4* G 324 H4* G 324 22.651 -2.199 8.157 521 H3* G 324 H3* G 324 21.625 -4.959 8.304 522 H2* G 324 H2* G 324 19.468 -4.452 7.510 523 2HO* G 324 2HO* G 324 18.827 -2.491 8.182 524 H1* G 324 H1* G 324 20.174 -3.057 5.308 525 H8 G 324 H8 G 324 23.172 -5.010 5.330 526 H1 G 324 H1 G 324 18.050 -8.754 4.055 527 1H2 G 324 1H2 G 324 16.319 -7.740 4.538 528 2H2 G 324 2H2 G 324 16.265 -6.118 5.191 529 1H5* A 325 1H5* A 325 18.726 -3.096 10.386 530 2H5* A 325 2H5* A 325 18.601 -3.604 12.070 531 H4* A 325 H4* A 325 16.470 -3.975 11.246 532 H3* A 325 H3* A 325 18.046 -6.516 11.281 533 H2* A 325 H2* A 325 16.246 -7.732 10.334 534 2HO* A 325 2HO* A 325 14.185 -6.702 10.300 535 H1* A 325 H1* A 325 15.771 -5.896 8.296 536 H8 A 325 H8 A 325 19.425 -5.914 8.708 537 1H6 A 325 1H6 A 325 19.584 -11.118 5.266 538 2H6 A 325 2H6 A 325 20.568 -9.856 5.973 539 H2 A 325 H2 A 325 15.353 -10.291 6.341 540 1H5* A 326 1H5* A 326 15.143 -8.207 14.744 541 2H5* A 326 2H5* A 326 16.127 -9.662 14.897 542 H4* A 326 H4* A 326 13.719 -9.694 13.799 543 H3* A 326 H3* A 326 16.123 -11.361 13.216 544 H2* A 326 H2* A 326 15.033 -12.440 11.391 545 2HO* A 326 2HO* A 326 12.725 -10.958 11.393 546 H1* A 326 H1* A 326 14.293 -10.066 10.171 547 H8 A 326 H8 A 326 17.444 -8.933 11.396 548 1H6 A 326 1H6 A 326 20.375 -12.439 7.147 549 2H6 A 326 2H6 A 326 20.580 -11.133 8.291 550 H2 A 326 H2 A 326 16.137 -13.761 7.357 551 1H5* C 327 1H5* C 327 13.016 -14.333 12.852 552 2H5* C 327 2H5* C 327 13.558 -15.653 13.891 553 H4* C 327 H4* C 327 13.121 -16.400 11.603 554 H3* C 327 H3* C 327 15.912 -16.620 12.687 555 H2* C 327 H2* C 327 16.612 -17.717 10.693 556 2HO* C 327 2HO* C 327 14.864 -18.929 10.138 557 H1* C 327 H1* C 327 15.523 -15.790 9.016 558 1H4 C 327 1H4 C 327 21.570 -13.997 10.214 559 2H4 C 327 2H4 C 327 20.936 -12.889 11.410 560 H5 C 327 H5 C 327 18.669 -12.823 12.069 561 H6 C 327 H6 C 327 16.430 -13.814 11.741 562 1H5* U 328 1H5* U 328 14.894 -20.638 11.277 563 2H5* U 328 2H5* U 328 15.562 -21.792 12.432 564 H4* U 328 H4* U 328 16.325 -22.114 10.085 565 H3* U 328 H3* U 328 18.319 -21.653 12.292 566 H2* U 328 H2* U 328 20.084 -22.060 10.759 567 2HO* U 328 2HO* U 328 17.845 -22.804 9.117 568 H1* U 328 H1* U 328 18.999 -20.387 8.785 569 H3 U 328 H3 U 328 22.897 -18.741 10.791 570 H5 U 328 H5 U 328 19.633 -16.898 12.659 571 H6 U 328 H6 U 328 18.190 -18.520 11.518 572 1H5* G 329 1H5* G 329 19.764 -25.848 11.720 573 2H5* G 329 2H5* G 329 20.316 -26.162 13.365 574 H4* G 329 H4* G 329 22.086 -25.944 11.547 575 H3* G 329 H3* G 329 22.184 -24.496 14.177 576 H2* G 329 H2* G 329 24.287 -23.569 13.610 577 2HO* G 329 2HO* G 329 25.457 -24.576 11.961 578 H1* G 329 H1* G 329 23.389 -22.979 10.946 579 H8 G 329 H8 G 329 20.874 -21.702 13.275 580 H1 G 329 H1 G 329 26.091 -17.881 13.004 581 1H2 G 329 1H2 G 329 27.618 -18.868 12.032 582 2H2 G 329 2H2 G 329 27.502 -20.489 11.385 583 1H5* U 330 1H5* U 330 23.110 -24.644 17.180 584 2H5* U 330 2H5* U 330 23.817 -23.621 15.929 585 H4* U 330 H4* U 330 24.700 -23.775 18.489 586 H3* U 330 H3* U 330 26.129 -22.977 15.958 587 H2* U 330 H2* U 330 28.118 -22.735 17.137 588 2HO* U 330 2HO* U 330 26.892 -21.435 18.688 589 H1* U 330 H1* U 330 27.274 -24.835 19.035 590 H3 U 330 H3 U 330 31.115 -27.003 18.390 591 H5 U 330 H5 U 330 30.182 -25.710 14.517 592 H6 U 330 H6 U 330 28.180 -24.653 15.459 593 1H5* G 331 1H5* G 331 28.280 -19.956 17.415 594 2H5* G 331 2H5* G 331 27.939 -18.766 16.159 595 H4* G 331 H4* G 331 30.265 -19.661 16.148 596 H3* G 331 H3* G 331 28.497 -19.770 13.740 597 H2* G 331 H2* G 331 30.183 -20.841 12.458 598 2HO* G 331 2HO* G 331 31.829 -19.548 13.499 599 H1* G 331 H1* G 331 30.733 -22.745 14.450 600 H8 G 331 H8 G 331 27.069 -21.972 14.100 601 H1 G 331 H1 G 331 29.196 -26.549 10.049 602 1H2 G 331 1H2 G 331 31.254 -26.645 10.138 603 2H2 G 331 2H2 G 331 32.255 -25.637 11.159 604 1H5* A 332 1H5* A 332 31.395 -16.053 12.758 605 2H5* A 332 2H5* A 332 30.939 -15.599 11.116 606 H4* A 332 H4* A 332 33.071 -16.980 11.453 607 H3* A 332 H3* A 332 30.951 -17.568 9.407 608 H2* A 332 H2* A 332 32.279 -19.347 8.546 609 2HO* A 332 2HO* A 332 34.419 -19.107 8.869 610 H1* A 332 H1* A 332 32.735 -20.432 11.097 611 H8 A 332 H8 A 332 29.230 -19.161 10.691 612 1H6 A 332 1H6 A 332 27.803 -24.815 8.467 613 2H6 A 332 2H6 A 332 27.132 -23.285 8.987 614 H2 A 332 H2 A 332 32.218 -24.565 8.899 615 1H5* A 333 1H5* A 333 32.179 -18.099 7.009 616 2H5* A 333 2H5* A 333 32.321 -16.931 5.695 617 H4* A 333 H4* A 333 31.017 -18.551 4.729 618 H3* A 333 H3* A 333 29.230 -16.431 5.861 619 H2* A 333 H2* A 333 27.296 -17.610 5.134 620 2HO* A 333 2HO* A 333 27.865 -18.551 3.246 621 H1* A 333 H1* A 333 28.034 -20.003 6.278 622 H8 A 333 H8 A 333 29.364 -17.171 8.344 623 1H6 A 333 1H6 A 333 23.874 -17.212 11.314 624 2H6 A 333 2H6 A 333 25.489 -16.540 11.330 625 H2 A 333 H2 A 333 23.580 -19.930 7.812 626 1H5* G 334 1H5* G 334 27.359 -17.344 1.399 627 2H5* G 334 2H5* G 334 26.093 -16.135 1.601 628 H4* G 334 H4* G 334 25.765 -18.860 1.712 629 H3* G 334 H3* G 334 24.062 -16.548 2.568 630 H2* G 334 H2* G 334 22.482 -18.030 3.554 631 2HO* G 334 2HO* G 334 22.467 -20.069 2.752 632 H1* G 334 H1* G 334 24.359 -19.421 5.022 633 H8 G 334 H8 G 334 25.942 -16.218 5.229 634 H1 G 334 H1 G 334 20.374 -16.203 8.527 635 1H2 G 334 1H2 G 334 19.251 -17.849 7.991 636 2H2 G 334 2H2 G 334 19.746 -19.053 6.823 637 1H5* U 335 1H5* U 335 21.541 -19.300 1.162 638 2H5* U 335 2H5* U 335 20.296 -18.707 0.064 639 H4* U 335 H4* U 335 19.330 -19.846 1.992 640 H3* U 335 H3* U 335 18.755 -16.926 1.618 641 H2* U 335 H2* U 335 17.328 -16.932 3.512 642 2HO* U 335 2HO* U 335 16.532 -18.910 4.186 643 H1* U 335 H1* U 335 19.131 -18.235 5.169 644 H3 U 335 H3 U 335 18.795 -13.696 6.132 645 H5 U 335 H5 U 335 22.093 -14.158 3.593 646 H6 U 335 H6 U 335 21.351 -16.463 3.210 647 1H5* U 336 1H5* U 336 14.741 -18.624 1.330 648 2H5* U 336 2H5* U 336 13.828 -17.711 0.128 649 H4* U 336 H4* U 336 12.767 -17.488 2.270 650 H3* U 336 H3* U 336 14.047 -15.027 1.145 651 H2* U 336 H2* U 336 13.360 -13.745 3.020 652 2HO* U 336 2HO* U 336 12.062 -15.205 4.630 653 H1* U 336 H1* U 336 14.261 -15.670 4.870 654 H3 U 336 H3 U 336 16.985 -12.033 5.367 655 H5 U 336 H5 U 336 18.519 -14.078 2.050 656 H6 U 336 H6 U 336 16.533 -15.513 2.141 657 1H5* C 337 1H5* C 337 10.203 -13.441 2.154 658 2H5* C 337 2H5* C 337 9.862 -12.177 0.971 659 H4* C 337 H4* C 337 10.173 -11.402 3.338 660 H3* C 337 H3* C 337 11.768 -10.262 1.060 661 H2* C 337 H2* C 337 12.841 -8.764 2.516 662 2HO* C 337 2HO* C 337 10.812 -9.684 4.342 663 H1* C 337 H1* C 337 12.981 -10.783 4.599 664 1H4 C 337 1H4 C 337 18.987 -9.666 2.641 665 2H4 C 337 2H4 C 337 18.774 -10.934 1.455 666 H5 C 337 H5 C 337 16.716 -12.016 1.041 667 H6 C 337 H6 C 337 14.333 -12.152 1.670 668 1H5* G 338 1H5* G 338 9.502 -6.741 1.780 669 2H5* G 338 2H5* G 338 9.077 -5.994 0.239 670 H4* G 338 H4* G 338 10.683 -4.604 1.315 671 H3* G 338 H3* G 338 11.728 -6.112 -1.063 672 H2* G 338 H2* G 338 13.833 -5.065 -0.840 673 2HO* G 338 2HO* G 338 12.817 -3.029 -0.364 674 H1* G 338 H1* G 338 13.729 -5.360 2.036 675 H8 G 338 H8 G 338 13.150 -8.611 0.425 676 H1 G 338 H1 G 338 19.419 -7.009 0.544 677 1H2 G 338 1H2 G 338 19.614 -5.024 1.068 678 2H2 G 338 2H2 G 338 18.277 -3.952 1.423 679 1H5* G 339 1H5* G 339 13.864 -3.053 -2.050 680 2H5* G 339 2H5* G 339 13.579 -2.813 -3.774 681 H4* G 339 H4* G 339 15.892 -3.649 -2.947 682 H3* G 339 H3* G 339 14.376 -4.562 -5.353 683 H2* G 339 H2* G 339 15.533 -6.520 -5.405 684 2HO* G 339 2HO* G 339 18.043 -5.566 -4.983 685 H1* G 339 H1* G 339 17.121 -5.519 -2.992 686 H8 G 339 H8 G 339 18.178 -7.485 -1.846 687 H1 G 339 H1 G 339 14.065 -11.700 -4.530 688 1H2 G 339 1H2 G 339 12.674 -10.679 -5.661 689 2H2 G 339 2H2 G 339 12.630 -8.942 -5.853 690 1H5* A 340 1H5* A 340 16.162 -0.427 -4.842 691 2H5* A 340 2H5* A 340 17.321 0.114 -3.627 692 H4* A 340 H4* A 340 14.660 0.594 -3.534 693 H3* A 340 H3* A 340 16.737 0.478 -1.372 694 H2* A 340 H2* A 340 15.071 0.870 0.280 695 2HO* A 340 2HO* A 340 13.896 1.775 -2.024 696 H1* A 340 H1* A 340 13.355 -1.093 -0.856 697 H8 A 340 H8 A 340 16.605 -2.697 -0.793 698 1H6 A 340 1H6 A 340 15.851 -3.751 5.313 699 2H6 A 340 2H6 A 340 16.818 -4.159 3.912 700 H2 A 340 H2 A 340 12.746 -0.853 4.008 701 1H5* A 341 1H5* A 341 13.695 3.504 -0.500 702 2H5* A 341 2H5* A 341 14.539 4.864 0.241 703 H4* A 341 H4* A 341 12.717 3.953 1.639 704 H3* A 341 H3* A 341 15.538 3.927 2.697 705 H2* A 341 H2* A 341 14.715 3.195 4.798 706 2HO* A 341 2HO* A 341 12.424 3.337 5.132 707 H1* A 341 H1* A 341 13.049 1.235 3.663 708 H8 A 341 H8 A 341 16.272 1.291 1.822 709 1H6 A 341 1H6 A 341 18.555 -2.474 6.244 710 2H6 A 341 2H6 A 341 18.876 -1.777 4.672 711 H2 A 341 H2 A 341 14.591 -0.988 7.594 712 1H5* C 342 1H5* C 342 13.539 6.015 5.156 713 2H5* C 342 2H5* C 342 13.890 7.668 5.660 714 H4* C 342 H4* C 342 13.813 6.339 7.619 715 H3* C 342 H3* C 342 16.540 7.251 6.816 716 H2* C 342 H2* C 342 17.545 6.120 8.655 717 2HO* C 342 2HO* C 342 15.601 6.637 9.932 718 H1* C 342 H1* C 342 16.307 3.698 8.097 719 1H4 C 342 1H4 C 342 21.916 3.731 4.961 720 2H4 C 342 2H4 C 342 21.014 4.095 3.507 721 H5 C 342 H5 C 342 18.705 4.593 3.482 722 H6 C 342 H6 C 342 16.674 4.867 4.859 723 1H5* A 343 1H5* A 343 16.605 8.111 10.822 724 2H5* A 343 2H5* A 343 17.214 9.736 11.129 725 H4* A 343 H4* A 343 18.594 8.076 12.231 726 H3* A 343 H3* A 343 19.858 9.648 10.002 727 H2* A 343 H2* A 343 21.947 8.615 10.457 728 2HO* A 343 2HO* A 343 20.459 7.507 12.661 729 H1* A 343 H1* A 343 20.885 6.036 10.520 730 H8 A 343 H8 A 343 19.130 8.029 7.902 731 1H6 A 343 1H6 A 343 23.752 6.437 4.021 732 2H6 A 343 2H6 A 343 22.174 7.186 4.114 733 H2 A 343 H2 A 343 24.897 5.195 8.131 734 1H5* C 344 1H5* C 344 22.216 11.147 13.559 735 2H5* C 344 2H5* C 344 22.759 12.764 13.111 736 H4* C 344 H4* C 344 24.628 11.222 13.447 737 H3* C 344 H3* C 344 24.212 12.446 10.742 738 H2* C 344 H2* C 344 26.177 11.385 9.923 739 2HO* C 344 2HO* C 344 27.186 11.715 12.037 740 H1* C 344 H1* C 344 25.417 8.880 10.981 741 1H4 C 344 1H4 C 344 23.669 8.645 4.843 742 2H4 C 344 2H4 C 344 22.211 9.527 5.238 743 H5 C 344 H5 C 344 21.752 10.418 7.375 744 H6 C 344 H6 C 344 22.585 10.686 9.685 745 1H5* C 345 1H5* C 345 28.382 14.610 11.383 746 2H5* C 345 2H5* C 345 28.337 15.415 9.815 747 H4* C 345 H4* C 345 29.827 13.231 10.372 748 H3* C 345 H3* C 345 28.719 14.240 7.765 749 H2* C 345 H2* C 345 29.734 12.405 6.641 750 2HO* C 345 2HO* C 345 30.725 11.224 8.965 751 H1* C 345 H1* C 345 28.737 10.536 8.489 752 1H4 C 345 1H4 C 345 24.718 10.737 3.468 753 2H4 C 345 2H4 C 345 23.644 11.675 4.481 754 H5 C 345 H5 C 345 24.230 12.490 6.619 755 H6 C 345 H6 C 345 26.008 12.607 8.327 756 1H5* C 346 1H5* C 346 31.648 13.000 6.559 757 2H5* C 346 2H5* C 346 33.034 14.073 6.364 758 H4* C 346 H4* C 346 33.240 12.975 4.410 759 H3* C 346 H3* C 346 31.209 15.112 3.798 760 H2* C 346 H2* C 346 31.108 14.344 1.552 761 2HO* C 346 2HO* C 346 32.888 13.290 0.817 762 H1* C 346 H1* C 346 30.940 11.628 2.382 763 1H4 C 346 1H4 C 346 24.988 13.408 0.825 764 2H4 C 346 2H4 C 346 24.760 13.942 2.475 765 H5 C 346 H5 C 346 26.483 13.993 4.092 766 H6 C 346 H6 C 346 28.870 13.539 4.526 767 1H5* G 347 1H5* G 347 34.533 15.498 1.171 768 2H5* G 347 2H5* G 347 34.861 17.102 0.517 769 H4* G 347 H4* G 347 34.329 15.501 -1.244 770 H3* G 347 H3* G 347 32.412 17.787 -0.824 771 H2* G 347 H2* G 347 31.249 17.124 -2.792 772 2HO* G 347 2HO* G 347 32.314 15.714 -4.200 773 H1* G 347 H1* G 347 31.190 14.416 -2.000 774 H8 G 347 H8 G 347 30.407 16.145 1.079 775 H1 G 347 H1 G 347 25.467 16.443 -3.092 776 1H2 G 347 1H2 G 347 26.113 15.875 -4.967 777 2H2 G 347 2H2 G 347 27.749 15.392 -5.351 778 1H5* G 348 1H5* G 348 34.271 19.675 -4.443 779 2H5* G 348 2H5* G 348 33.612 21.308 -4.340 780 H4* G 348 H4* G 348 32.519 19.498 -5.891 781 H3* G 348 H3* G 348 31.065 21.536 -4.206 782 H2* G 348 H2* G 348 29.030 20.841 -5.218 783 2HO* G 348 2HO* G 348 30.375 18.908 -6.784 784 H1* G 348 H1* G 348 29.702 18.093 -4.894 785 H8 G 348 H8 G 348 30.491 19.456 -1.661 786 H1 G 348 H1 G 348 24.088 19.319 -2.592 787 1H2 G 348 1H2 G 348 23.689 19.008 -4.592 788 2H2 G 348 2H2 G 348 24.908 18.813 -5.831 789 1H5* C 349 1H5* C 349 28.264 21.686 -6.975 790 2H5* C 349 2H5* C 349 28.381 23.347 -7.553 791 H4* C 349 H4* C 349 26.192 23.095 -6.729 792 H3* C 349 H3* C 349 27.958 24.632 -4.845 793 H2* C 349 H2* C 349 26.169 24.937 -3.359 794 2HO* C 349 2HO* C 349 24.065 24.789 -4.211 795 H1* C 349 H1* C 349 25.177 22.256 -3.926 796 1H4 C 349 1H4 C 349 27.036 22.186 2.197 797 2H4 C 349 2H4 C 349 28.677 21.910 1.660 798 H5 C 349 H5 C 349 29.344 21.945 -0.606 799 H6 C 349 H6 C 349 28.591 22.255 -2.937 800 1H5* C 350 1H5* C 350 25.185 27.940 -6.234 801 2H5* C 350 2H5* C 350 26.070 29.443 -5.978 802 H4* C 350 H4* C 350 24.042 29.101 -4.532 803 H3* C 350 H3* C 350 26.749 29.723 -3.385 804 H2* C 350 H2* C 350 25.824 29.812 -1.209 805 2HO* C 350 2HO* C 350 23.569 30.046 -1.040 806 H1* C 350 H1* C 350 24.263 27.450 -1.699 807 1H4 C 350 1H4 C 350 28.980 25.576 2.183 808 2H4 C 350 2H4 C 350 30.052 25.480 0.803 809 H5 C 350 H5 C 350 29.458 26.171 -1.375 810 H6 C 350 H6 C 350 27.669 27.132 -2.781 811 1H5* G 351 1H5* G 351 24.520 33.249 -2.044 812 2H5* G 351 2H5* G 351 25.402 34.645 -2.663 813 H4* G 351 H4* G 351 25.191 35.038 -0.371 814 H3* G 351 H3* G 351 27.926 34.056 -1.096 815 H2* G 351 H2* G 351 28.627 34.184 1.168 816 2HO* G 351 2HO* G 351 25.987 35.209 1.675 817 H1* G 351 H1* G 351 26.407 32.818 2.154 818 H8 G 351 H8 G 351 27.778 31.685 -1.204 819 H1 G 351 H1 G 351 30.217 28.572 3.918 820 1H2 G 351 1H2 G 351 29.539 29.460 5.652 821 2H2 G 351 2H2 G 351 28.470 30.843 5.707 822 1H5* C 352 1H5* C 352 28.626 37.588 1.027 823 2H5* C 352 2H5* C 352 30.068 38.461 0.512 824 H4* C 352 H4* C 352 30.268 37.614 2.799 825 H3* C 352 H3* C 352 32.174 36.617 0.708 826 H2* C 352 H2* C 352 33.327 35.327 2.325 827 2HO* C 352 2HO* C 352 33.095 37.042 3.892 828 H1* C 352 H1* C 352 30.870 34.398 3.466 829 1H4 C 352 1H4 C 352 33.050 29.434 0.101 830 2H4 C 352 2H4 C 352 32.516 30.207 -1.375 831 H5 C 352 H5 C 352 31.608 32.385 -1.465 832 H6 C 352 H6 C 352 30.982 34.377 -0.147 833 1H5* A 353 1H5* A 353 34.357 40.116 2.986 834 2H5* A 353 2H5* A 353 35.524 40.871 1.900 835 H4* A 353 H4* A 353 36.588 39.719 3.792 836 H3* A 353 H3* A 353 37.190 38.858 0.986 837 H2* A 353 H2* A 353 38.722 37.221 1.766 838 2HO* A 353 2HO* A 353 39.673 38.216 3.481 839 H1* A 353 H1* A 353 36.933 36.231 3.700 840 H8 A 353 H8 A 353 35.612 37.176 0.257 841 1H6 A 353 1H6 A 353 36.241 31.129 -1.153 842 2H6 A 353 2H6 A 353 35.654 32.669 -1.742 843 H2 A 353 H2 A 353 37.927 31.793 2.904 844 1H5* A 354 1H5* A 354 41.144 39.735 2.896 845 2H5* A 354 2H5* A 354 42.257 40.187 1.605 846 H4* A 354 H4* A 354 42.969 38.184 2.859 847 H3* A 354 H3* A 354 42.458 37.995 -0.096 848 H2* A 354 H2* A 354 43.206 35.742 -0.089 849 2HO* A 354 2HO* A 354 44.781 35.500 1.381 850 H1* A 354 H1* A 354 41.650 35.048 2.142 851 H8 A 354 H8 A 354 39.659 37.329 0.003 852 1H6 A 354 1H6 A 354 38.070 32.337 -3.389 853 2H6 A 354 2H6 A 354 37.729 34.031 -3.114 854 H2 A 354 H2 A 354 41.313 31.144 -0.597 855 1H5* C 355 1H5* C 355 46.277 36.544 -0.092 856 2H5* C 355 2H5* C 355 47.315 37.548 -1.105 857 H4* C 355 H4* C 355 47.578 35.418 -1.986 858 H3* C 355 H3* C 355 45.608 36.990 -3.616 859 H2* C 355 H2* C 355 45.346 35.172 -5.110 860 2HO* C 355 2HO* C 355 47.536 34.157 -3.543 861 H1* C 355 H1* C 355 45.153 33.293 -2.976 862 1H4 C 355 1H4 C 355 39.141 34.167 -4.950 863 2H4 C 355 2H4 C 355 39.068 35.649 -4.022 864 H5 C 355 H5 C 355 40.913 36.580 -2.881 865 H6 C 355 H6 C 355 43.308 36.317 -2.342 866 1H5* C 356 1H5* C 356 49.097 35.822 -5.678 867 2H5* C 356 2H5* C 356 49.616 36.493 -7.224 868 H4* C 356 H4* C 356 48.903 34.215 -7.527 869 H3* C 356 H3* C 356 47.097 36.299 -8.747 870 H2* C 356 H2* C 356 45.863 34.560 -9.792 871 2HO* C 356 2HO* C 356 47.913 32.885 -8.656 872 H1* C 356 H1* C 356 45.759 33.028 -7.415 873 1H4 C 356 1H4 C 356 40.102 35.972 -7.623 874 2H4 C 356 2H4 C 356 40.854 37.449 -7.065 875 H5 C 356 H5 C 356 43.180 37.703 -6.747 876 H6 C 356 H6 C 356 45.380 36.591 -6.887 877 1H5* C 357 1H5* C 357 48.570 33.744 -11.227 878 2H5* C 357 2H5* C 357 49.811 34.032 -12.446 879 H4* C 357 H4* C 357 48.495 32.632 -13.637 880 H3* C 357 H3* C 357 47.429 35.381 -14.126 881 H2* C 357 H2* C 357 45.614 34.541 -15.395 882 2HO* C 357 2HO* C 357 45.722 32.313 -16.032 883 H1* C 357 H1* C 357 44.826 32.656 -13.559 884 1H4 C 357 1H4 C 357 41.763 37.992 -11.807 885 2H4 C 357 2H4 C 357 43.108 38.384 -10.760 886 H5 C 357 H5 C 357 45.121 37.151 -10.687 887 H6 C 357 H6 C 357 46.351 35.218 -11.610 888 1H5* U 358 1H5* U 358 46.160 33.651 -17.502 889 2H5* U 358 2H5* U 358 47.097 34.401 -18.794 890 H4* U 358 H4* U 358 44.901 34.675 -19.486 891 H3* U 358 H3* U 358 45.832 37.202 -18.132 892 H2* U 358 H2* U 358 43.788 38.242 -18.749 893 2HO* U 358 2HO* U 358 42.778 37.406 -20.511 894 H1* U 358 H1* U 358 42.252 36.018 -17.906 895 H3 U 358 H3 U 358 40.963 39.064 -14.845 896 H5 U 358 H5 U 358 44.977 38.365 -13.872 897 H6 U 358 H6 U 358 45.120 36.973 -15.886 898 1H5* G 359 1H5* G 359 44.495 37.529 -21.866 899 2H5* G 359 2H5* G 359 45.171 38.543 -23.141 900 H4* G 359 H4* G 359 42.905 39.102 -23.069 901 H3* G 359 H3* G 359 44.581 41.151 -21.652 902 H2* G 359 H2* G 359 42.654 42.465 -21.233 903 2HO* G 359 2HO* G 359 41.419 40.471 -22.908 904 H1* G 359 H1* G 359 41.142 40.212 -20.393 905 H8 G 359 H8 G 359 44.560 40.141 -18.928 906 H1 G 359 H1 G 359 40.472 43.969 -15.684 907 1H2 G 359 1H2 G 359 38.743 44.216 -16.781 908 2H2 G 359 2H2 G 359 38.446 43.495 -18.346 909 1H5* G 360 1H5* G 360 42.537 42.612 -24.933 910 2H5* G 360 2H5* G 360 43.191 43.768 -26.092 911 H4* G 360 H4* G 360 41.268 44.810 -25.337 912 H3* G 360 H3* G 360 43.629 45.863 -23.796 913 H2* G 360 H2* G 360 42.198 47.418 -22.707 914 2HO* G 360 2HO* G 360 39.891 47.338 -23.532 915 H1* G 360 H1* G 360 40.271 45.465 -22.103 916 H8 G 360 H8 G 360 43.732 44.116 -21.688 917 H1 G 360 H1 G 360 41.610 47.428 -16.549 918 1H2 G 360 1H2 G 360 39.854 48.397 -17.030 919 2H2 G 360 2H2 G 360 39.073 48.321 -18.595 920 1H5* G 361 1H5* G 361 42.549 48.818 -26.996 921 2H5* G 361 2H5* G 361 43.836 49.890 -27.547 922 H4* G 361 H4* G 361 42.332 51.198 -26.269 923 H3* G 361 H3* G 361 44.934 50.623 -24.900 924 H2* G 361 H2* G 361 44.278 51.934 -23.026 925 2HO* G 361 2HO* G 361 41.782 52.412 -24.332 926 H1* G 361 H1* G 361 41.771 50.667 -22.838 927 H8 G 361 H8 G 361 44.410 48.167 -23.644 928 H1 G 361 H1 G 361 44.095 49.617 -17.345 929 1H2 G 361 1H2 G 361 42.869 51.252 -17.075 930 2H2 G 361 2H2 G 361 42.048 52.104 -18.363 931 1H5* A 362 1H5* A 362 44.225 54.649 -25.934 932 2H5* A 362 2H5* A 362 45.440 55.822 -26.441 933 H4* A 362 H4* A 362 44.422 56.742 -24.537 934 H3* A 362 H3* A 362 47.120 55.569 -23.927 935 H2* A 362 H2* A 362 46.953 56.320 -21.682 936 2HO* A 362 2HO* A 362 44.552 57.549 -22.695 937 H1* A 362 H1* A 362 44.388 55.310 -21.305 938 H8 A 362 H8 A 362 46.091 52.862 -23.471 939 1H6 A 362 1H6 A 362 48.719 50.477 -18.337 940 2H6 A 362 2H6 A 362 48.448 50.212 -20.044 941 H2 A 362 H2 A 362 46.793 54.331 -17.250 942 1H5* G 363 1H5* G 363 46.830 59.079 -21.581 943 2H5* G 363 2H5* G 363 48.445 59.788 -21.552 944 H4* G 363 H4* G 363 47.358 58.874 -19.365 945 H3* G 363 H3* G 363 50.225 58.604 -20.218 946 H2* G 363 H2* G 363 50.735 57.461 -18.204 947 2HO* G 363 2HO* G 363 49.528 58.304 -16.608 948 H1* G 363 H1* G 363 48.593 55.703 -18.384 949 H8 G 363 H8 G 363 49.648 56.175 -21.869 950 H1 G 363 H1 G 363 53.673 52.310 -18.591 951 1H2 G 363 1H2 G 363 53.260 52.437 -16.575 952 2H2 G 363 2H2 G 363 52.009 53.440 -15.875 953 1H5* A 364 1H5* A 364 52.516 58.930 -18.682 954 2H5* A 364 2H5* A 364 52.163 58.770 -16.962 955 H4* A 364 H4* A 364 54.611 59.350 -18.068 956 H3* A 364 H3* A 364 53.512 59.217 -15.375 957 H2* A 364 H2* A 364 54.205 61.343 -14.826 958 2HO* A 364 2HO* A 364 56.001 60.644 -13.832 959 H1* A 364 H1* A 364 56.102 61.168 -17.232 960 H8 A 364 H8 A 364 54.517 63.802 -18.353 961 1H6 A 364 1H6 A 364 56.918 67.786 -14.194 962 2H6 A 364 2H6 A 364 56.107 67.669 -15.739 963 H2 A 364 H2 A 364 57.477 63.659 -12.647 964 1H5* G 365 1H5* G 365 54.927 54.417 -15.608 965 2H5* G 365 2H5* G 365 55.884 54.737 -14.161 966 H4* G 365 H4* G 365 56.618 52.890 -15.845 967 H3* G 365 H3* G 365 58.476 54.889 -14.541 968 H2* G 365 H2* G 365 60.290 53.720 -15.467 969 2HO* G 365 2HO* G 365 59.675 51.540 -16.406 970 H1* G 365 H1* G 365 58.781 53.183 -17.895 971 H8 G 365 H8 G 365 61.372 53.704 -18.524 972 H1 G 365 H1 G 365 60.080 59.985 -17.653 973 1H2 G 365 1H2 G 365 58.288 60.187 -16.654 974 2H2 G 365 2H2 G 365 57.284 58.855 -16.131 975 1H5* G 366 1H5* G 366 57.182 51.135 -12.020 976 2H5* G 366 2H5* G 366 55.969 52.410 -12.134 977 H4* G 366 H4* G 366 56.180 50.486 -10.151 978 H3* G 366 H3* G 366 54.332 52.481 -10.850 979 H2* G 366 H2* G 366 55.010 54.042 -9.252 980 2HO* G 366 2HO* G 366 53.391 53.719 -7.754 981 H1* G 366 H1* G 366 55.845 51.638 -7.535 982 H8 G 366 H8 G 366 57.931 54.641 -8.520 983 H1 G 366 H1 G 366 56.308 54.430 -2.258 984 1H2 G 366 1H2 G 366 54.972 52.891 -1.944 985 2H2 G 366 2H2 G 366 54.380 51.818 -3.192 986 1H5* U 367 1H5* U 367 51.743 51.748 -8.972 987 2H5* U 367 2H5* U 367 50.533 50.506 -9.294 988 H4* U 367 H4* U 367 50.033 53.156 -9.320 989 H3* U 367 H3* U 367 48.666 50.862 -10.676 990 H2* U 367 H2* U 367 47.196 52.343 -11.809 991 2HO* U 367 2HO* U 367 48.546 54.297 -10.176 992 H1* U 367 H1* U 367 49.242 54.025 -12.690 993 H3 U 367 H3 U 367 48.198 51.952 -16.553 994 H5 U 367 H5 U 367 50.041 48.933 -14.311 995 H6 U 367 H6 U 367 50.096 50.502 -12.427 996 1H5* C 368 1H5* C 368 46.042 53.152 -9.400 997 2H5* C 368 2H5* C 368 44.680 52.750 -8.354 998 H4* C 368 H4* C 368 43.725 53.711 -10.261 999 H3* C 368 H3* C 368 43.510 50.709 -10.337 1000 H2* C 368 H2* C 368 42.254 50.853 -12.332 1001 2HO* C 368 2HO* C 368 41.016 52.630 -11.600 1002 H1* C 368 H1* C 368 43.978 52.897 -13.381 1003 1H4 C 368 1H4 C 368 45.487 47.638 -16.673 1004 2H4 C 368 2H4 C 368 46.420 47.064 -15.308 1005 H5 C 368 H5 C 368 46.503 48.160 -13.217 1006 H6 C 368 H6 C 368 45.703 50.095 -11.909 1007 1H5* C 369 1H5* C 369 39.948 52.577 -9.894 1008 2H5* C 369 2H5* C 369 38.525 52.112 -8.962 1009 H4* C 369 H4* C 369 37.721 51.867 -11.081 1010 H3* C 369 H3* C 369 38.908 49.193 -10.346 1011 H2* C 369 H2* C 369 38.107 48.321 -12.399 1012 2HO* C 369 2HO* C 369 36.867 50.912 -12.636 1013 H1* C 369 H1* C 369 38.989 50.592 -13.858 1014 1H4 C 369 1H4 C 369 43.680 46.462 -15.026 1015 2H4 C 369 2H4 C 369 44.016 46.309 -13.316 1016 H5 C 369 H5 C 369 42.780 47.404 -11.628 1017 H6 C 369 H6 C 369 40.897 48.929 -11.160 1018 1H5* C 370 1H5* C 370 34.899 49.154 -10.993 1019 2H5* C 370 2H5* C 370 33.712 47.996 -10.394 1020 H4* C 370 H4* C 370 33.822 47.650 -12.712 1021 H3* C 370 H3* C 370 35.392 45.542 -11.230 1022 H2* C 370 H2* C 370 35.691 44.390 -13.284 1023 2HO* C 370 2HO* C 370 33.659 44.706 -14.155 1024 H1* C 370 H1* C 370 36.341 46.797 -14.659 1025 1H4 C 370 1H4 C 370 42.030 44.115 -13.654 1026 2H4 C 370 2H4 C 370 41.900 44.447 -11.941 1027 H5 C 370 H5 C 370 39.989 45.397 -10.927 1028 H6 C 370 H6 C 370 37.713 46.271 -11.313 1029 1H5* A 371 1H5* A 371 31.393 43.561 -12.633 1030 2H5* A 371 2H5* A 371 31.178 42.072 -11.712 1031 H4* A 371 H4* A 371 31.263 41.740 -14.167 1032 H3* A 371 H3* A 371 33.226 40.356 -12.366 1033 H2* A 371 H2* A 371 34.128 39.186 -14.232 1034 2HO* A 371 2HO* A 371 31.953 39.051 -15.150 1035 H1* A 371 H1* A 371 34.434 41.486 -15.769 1036 H8 A 371 H8 A 371 35.182 42.550 -12.329 1037 1H6 A 371 1H6 A 371 40.907 40.173 -13.056 1038 2H6 A 371 2H6 A 371 39.908 41.170 -12.024 1039 H2 A 371 H2 A 371 38.396 38.818 -16.462 1040 1H5* G 372 1H5* G 372 31.331 37.043 -14.916 1041 2H5* G 372 2H5* G 372 30.946 35.861 -13.665 1042 H4* G 372 H4* G 372 32.135 34.777 -15.446 1043 H3* G 372 H3* G 372 33.571 35.021 -12.829 1044 H2* G 372 H2* G 372 35.450 33.850 -13.699 1045 2HO* G 372 2HO* G 372 34.023 32.470 -14.949 1046 H1* G 372 H1* G 372 35.537 35.444 -16.025 1047 H8 G 372 H8 G 372 34.826 37.658 -13.154 1048 H1 G 372 H1 G 372 41.081 36.053 -13.584 1049 1H2 G 372 1H2 G 372 41.307 34.523 -14.949 1050 2H2 G 372 2H2 G 372 39.997 33.785 -15.844 1051 1H5* G 373 1H5* G 373 32.929 31.148 -13.886 1052 2H5* G 373 2H5* G 373 32.476 29.796 -12.849 1053 H4* G 373 H4* G 373 34.640 29.350 -13.725 1054 H3* G 373 H3* G 373 34.631 30.096 -10.811 1055 H2* G 373 H2* G 373 36.961 29.651 -10.697 1056 2HO* G 373 2HO* G 373 37.373 27.970 -12.014 1057 H1* G 373 H1* G 373 37.550 31.121 -13.002 1058 H8 G 373 H8 G 373 34.921 33.025 -11.273 1059 H1 G 373 H1 G 373 40.718 33.736 -8.485 1060 1H2 G 373 1H2 G 373 42.025 32.333 -9.244 1061 2H2 G 373 2H2 G 373 41.611 31.142 -10.457 1062 1H5* G 374 1H5* G 374 36.097 26.260 -11.600 1063 2H5* G 374 2H5* G 374 35.980 24.949 -10.426 1064 H4* G 374 H4* G 374 38.283 25.294 -10.921 1065 H3* G 374 H3* G 374 37.418 26.164 -8.190 1066 H2* G 374 H2* G 374 39.629 26.834 -7.645 1067 2HO* G 374 2HO* G 374 40.445 24.985 -8.871 1068 H1* G 374 H1* G 374 39.963 28.250 -10.058 1069 H8 G 374 H8 G 374 36.545 28.945 -8.878 1070 H1 G 374 H1 G 374 41.017 32.325 -5.643 1071 1H2 G 374 1H2 G 374 42.890 31.580 -6.075 1072 2H2 G 374 2H2 G 374 43.203 30.238 -7.155 1073 1H5* U 375 1H5* U 375 40.890 23.956 -7.022 1074 2H5* U 375 2H5* U 375 40.250 22.706 -5.956 1075 H4* U 375 H4* U 375 41.967 23.803 -4.764 1076 H3* U 375 H3* U 375 39.209 24.527 -3.832 1077 H2* U 375 H2* U 375 40.106 25.916 -2.138 1078 2HO* U 375 2HO* U 375 42.182 25.485 -1.482 1079 H1* U 375 H1* U 375 42.010 27.062 -3.928 1080 H3 U 375 H3 U 375 39.557 30.713 -2.936 1081 H5 U 375 H5 U 375 36.892 28.321 -5.107 1082 H6 U 375 H6 U 375 38.605 26.567 -5.086 1083 1H5* U 376 1H5* U 376 41.520 23.033 -0.352 1084 2H5* U 376 2H5* U 376 40.416 22.405 0.872 1085 H4* U 376 H4* U 376 41.823 24.299 1.644 1086 H3* U 376 H3* U 376 38.828 24.457 1.748 1087 H2* U 376 H2* U 376 38.938 26.592 2.757 1088 2HO* U 376 2HO* U 376 41.667 25.757 2.962 1089 H1* U 376 H1* U 376 40.983 27.460 0.955 1090 H3 U 376 H3 U 376 37.355 30.207 0.358 1091 H5 U 376 H5 U 376 36.528 26.776 -1.896 1092 H6 U 376 H6 U 376 38.484 25.735 -0.846 1093 2H ALA 1 HN ALA 1 77.603 13.982 18.542 1094 HA ALA 1 HA ALA 1 76.566 16.135 18.092 1095 1HB ALA 1 1HB ALA 1 77.860 17.740 19.123 1096 2HB ALA 1 2HB ALA 1 79.391 16.946 18.682 1097 3HB ALA 1 3HB ALA 1 78.495 17.889 17.467 1098 H THR 2 HN THR 2 76.576 17.115 15.847 1099 HA THR 2 HA THR 2 78.149 15.494 13.971 1100 HB THR 2 HB THR 2 76.024 15.259 12.613 1101 HG1 THR 2 HG1 THR 2 74.296 16.404 13.409 1102 1HG2 THR 2 1HG2 THR 2 74.797 13.707 14.183 1103 2HG2 THR 2 2HG2 THR 2 76.546 13.375 14.135 1104 3HG2 THR 2 3HG2 THR 2 75.846 14.268 15.507 1105 H VAL 3 HN VAL 3 78.501 16.465 11.889 1106 HA VAL 3 HA VAL 3 79.187 19.126 12.039 1107 HB VAL 3 HB VAL 3 80.025 17.413 10.447 1108 1HG1 VAL 3 1HG1 VAL 3 78.671 16.326 9.049 1109 2HG1 VAL 3 2HG1 VAL 3 77.287 17.205 9.744 1110 3HG1 VAL 3 3HG1 VAL 3 78.133 17.859 8.322 1111 1HG2 VAL 3 1HG2 VAL 3 79.172 20.161 9.617 1112 2HG2 VAL 3 2HG2 VAL 3 80.804 19.491 9.853 1113 3HG2 VAL 3 3HG2 VAL 3 79.877 19.081 8.390 1114 H VAL 4 HN VAL 4 78.200 21.078 11.529 1115 HA VAL 4 HA VAL 4 75.346 20.865 10.853 1116 HB VAL 4 HB VAL 4 75.040 22.917 12.170 1117 1HG1 VAL 4 1HG1 VAL 4 76.383 21.019 14.058 1118 2HG1 VAL 4 2HG1 VAL 4 74.795 21.816 14.173 1119 3HG1 VAL 4 3HG1 VAL 4 75.018 20.428 13.081 1120 1HG2 VAL 4 1HG2 VAL 4 77.248 23.898 12.017 1121 2HG2 VAL 4 2HG2 VAL 4 76.840 23.641 13.730 1122 3HG2 VAL 4 3HG2 VAL 4 77.959 22.529 12.905 1123 H SER 5 HN SER 5 74.856 21.675 8.885 1124 HA SER 5 HA SER 5 76.634 23.764 7.891 1125 1HB SER 5 2HB SER 5 75.772 21.209 6.668 1126 2HB SER 5 3HB SER 5 75.536 22.590 5.615 1127 HG SER 5 HG SER 5 77.954 21.502 6.668 1128 H GLY 6 HN GLY 6 75.615 25.491 6.695 1129 1HA GLY 6 1HA GLY 6 72.660 25.505 6.886 1130 2HA GLY 6 2HA GLY 6 73.663 26.893 7.264 1131 H GLN 7 HN GLN 7 73.373 24.454 4.571 1132 HA GLN 7 HA GLN 7 72.851 26.568 2.742 1133 1HB GLN 7 2HB GLN 7 74.796 26.098 1.260 1134 2HB GLN 7 3HB GLN 7 75.291 26.747 2.811 1135 1HG GLN 7 2HG GLN 7 76.261 24.755 3.502 1136 2HG GLN 7 3HG GLN 7 75.096 23.761 2.649 1137 1HE2 GLN 7 1HE2 GLN 7 78.207 24.377 2.785 1138 2HE2 GLN 7 2HE2 GLN 7 78.710 24.215 1.136 1139 H LYS 8 HN LYS 8 71.105 24.637 3.388 1140 HA LYS 8 HA LYS 8 70.787 23.232 0.952 1141 1HB LYS 8 2HB LYS 8 72.458 21.741 1.912 1142 2HB LYS 8 3HB LYS 8 71.532 21.595 3.393 1143 1HG LYS 8 2HG LYS 8 69.841 20.303 2.379 1144 2HG LYS 8 3HG LYS 8 70.176 20.925 0.775 1145 1HD LYS 8 2HD LYS 8 72.193 19.206 2.277 1146 2HD LYS 8 3HD LYS 8 70.930 18.494 1.293 1147 1HE LYS 8 2HE LYS 8 72.085 20.539 -0.321 1148 2HE LYS 8 3HE LYS 8 73.438 19.732 0.448 1149 1HZ LYS 8 1HZ LYS 8 71.583 18.715 -1.479 1150 2HZ LYS 8 2HZ LYS 8 73.131 18.279 -1.190 1151 3HZ LYS 8 3HZ LYS 8 71.925 17.673 -0.270 1152 H GLN 9 HN GLN 9 68.631 23.190 0.584 1153 HA GLN 9 HA GLN 9 66.954 23.436 2.959 1154 1HB GLN 9 2HB GLN 9 66.808 24.643 0.208 1155 2HB GLN 9 3HB GLN 9 65.295 24.292 1.017 1156 1HG GLN 9 2HG GLN 9 67.474 25.752 2.532 1157 2HG GLN 9 3HG GLN 9 66.497 26.638 1.377 1158 1HE2 GLN 9 1HE2 GLN 9 66.795 25.885 4.517 1159 2HE2 GLN 9 2HE2 GLN 9 65.157 25.997 5.070 1160 H ASP 10 HN ASP 10 66.889 21.100 3.253 1161 HA ASP 10 HA ASP 10 66.181 19.378 1.205 1162 1HB ASP 10 2HB ASP 10 66.081 19.274 4.228 1163 2HB ASP 10 3HB ASP 10 65.339 17.976 3.316 1164 H ARG 11 HN ARG 11 64.136 18.820 0.364 1165 HA ARG 11 HA ARG 11 61.822 19.510 1.926 1166 1HB ARG 11 2HB ARG 11 60.738 20.679 -0.006 1167 2HB ARG 11 3HB ARG 11 62.165 21.530 0.549 1168 1HG ARG 11 2HG ARG 11 62.916 19.553 -1.461 1169 2HG ARG 11 3HG ARG 11 61.635 20.574 -2.084 1170 1HD ARG 11 2HD ARG 11 63.187 22.507 -0.963 1171 2HD ARG 11 3HD ARG 11 64.435 21.316 -1.276 1172 HE ARG 11 HE ARG 11 62.883 21.484 -3.637 1173 1HH1 ARG 11 2HH2 ARG 11 64.962 23.586 -1.727 1174 2HH1 ARG 11 1HH2 ARG 11 65.448 24.549 -3.082 1175 1HH2 ARG 11 2HH1 ARG 11 63.526 22.755 -5.425 1176 2HH2 ARG 11 1HH1 ARG 11 64.626 24.073 -5.199 1177 H GLN 12 HN GLN 12 60.044 18.111 1.491 1178 HA GLN 12 HA GLN 12 59.929 16.604 -0.875 1179 1HB GLN 12 2HB GLN 12 60.332 14.364 0.048 1180 2HB GLN 12 3HB GLN 12 61.766 15.355 0.233 1181 1HG GLN 12 2HG GLN 12 61.205 15.807 2.594 1182 2HG GLN 12 3HG GLN 12 59.685 14.952 2.432 1183 1HE2 GLN 12 1HE2 GLN 12 59.603 12.847 2.786 1184 2HE2 GLN 12 2HE2 GLN 12 60.953 11.788 3.018 1185 H GLY 13 HN GLY 13 58.027 15.019 -0.789 1186 1HA GLY 13 1HA GLY 13 56.222 14.368 0.896 1187 2HA GLY 13 2HA GLY 13 55.998 16.098 1.059 1188 H GLY 14 HN GLY 14 53.825 15.992 0.233 1189 1HA GLY 14 1HA GLY 14 52.453 16.508 -1.525 1190 2HA GLY 14 2HA GLY 14 53.716 16.082 -2.662 1191 H GLU 15 HN GLU 15 51.034 15.255 -3.045 1192 HA GLU 15 HA GLU 15 49.859 13.505 -3.561 1193 1HB GLU 15 2HB GLU 15 52.389 12.757 -4.235 1194 2HB GLU 15 3HB GLU 15 52.020 11.490 -3.083 1195 1HG GLU 15 2HG GLU 15 49.752 11.960 -4.885 1196 2HG GLU 15 3HG GLU 15 51.209 11.607 -5.792 1197 H ARG 16 HN ARG 16 48.766 14.002 -1.440 1198 HA ARG 16 HA ARG 16 48.034 13.511 0.548 1199 1HB ARG 16 2HB ARG 16 48.275 10.745 -0.713 1200 2HB ARG 16 3HB ARG 16 47.534 10.960 0.860 1201 1HG ARG 16 2HG ARG 16 46.038 12.765 -0.285 1202 2HG ARG 16 3HG ARG 16 46.614 12.108 -1.804 1203 1HD ARG 16 2HD ARG 16 45.903 9.774 -0.624 1204 2HD ARG 16 3HD ARG 16 44.825 10.838 0.259 1205 HE ARG 16 HE ARG 16 44.626 10.119 -2.560 1206 1HH1 ARG 16 2HH2 ARG 16 43.849 12.611 -0.201 1207 2HH1 ARG 16 1HH2 ARG 16 42.527 13.249 -1.120 1208 1HH2 ARG 16 2HH1 ARG 16 42.882 10.960 -3.773 1209 2HH2 ARG 16 1HH1 ARG 16 41.973 12.304 -3.166 1210 H ARG 17 HN ARG 17 49.738 14.201 1.951 1211 HA ARG 17 HA ARG 17 50.917 12.119 3.422 1212 1HB ARG 17 2HB ARG 17 52.422 12.784 1.204 1213 2HB ARG 17 3HB ARG 17 53.079 13.907 2.379 1214 1HG ARG 17 2HG ARG 17 54.334 12.222 3.229 1215 2HG ARG 17 3HG ARG 17 52.861 11.436 3.765 1216 1HD ARG 17 2HD ARG 17 52.788 10.679 1.158 1217 2HD ARG 17 3HD ARG 17 54.520 10.898 1.312 1218 HE ARG 17 HE ARG 17 53.861 9.420 3.567 1219 1HH1 ARG 17 2HH2 ARG 17 53.327 8.996 0.115 1220 2HH1 ARG 17 1HH2 ARG 17 53.331 7.265 0.197 1221 1HH2 ARG 17 2HH1 ARG 17 53.866 7.137 3.676 1222 2HH2 ARG 17 1HH1 ARG 17 53.640 6.201 2.236 1223 H ARG 18 HN ARG 18 49.762 13.277 5.104 1224 HA ARG 18 HA ARG 18 51.089 15.769 5.804 1225 1HB ARG 18 2HB ARG 18 48.820 16.426 6.857 1226 2HB ARG 18 3HB ARG 18 48.901 16.461 5.107 1227 1HG ARG 18 2HG ARG 18 48.121 13.814 6.200 1228 2HG ARG 18 3HG ARG 18 46.992 15.093 6.600 1229 1HD ARG 18 2HD ARG 18 47.727 15.432 3.832 1230 2HD ARG 18 3HD ARG 18 47.342 13.738 4.068 1231 HE ARG 18 HE ARG 18 45.438 15.829 3.945 1232 1HH1 ARG 18 2HH2 ARG 18 46.185 13.101 6.038 1233 2HH1 ARG 18 1HH2 ARG 18 44.546 12.884 6.555 1234 1HH2 ARG 18 2HH1 ARG 18 43.275 15.544 4.626 1235 2HH2 ARG 18 1HH1 ARG 18 42.880 14.283 5.746 1236 H SER 19 HN SER 19 52.429 14.010 6.997 1237 HA SER 19 HA SER 19 51.982 12.257 8.709 1238 1HB SER 19 2HB SER 19 54.110 13.538 8.647 1239 2HB SER 19 3HB SER 19 53.377 14.828 9.580 1240 HG SER 19 HG SER 19 53.808 13.742 11.367 1241 H GLN 20 HN GLN 20 51.686 15.571 10.179 1242 HA GLN 20 HA GLN 20 49.186 14.698 11.363 1243 1HB GLN 20 2HB GLN 20 51.563 14.714 12.820 1244 2HB GLN 20 3HB GLN 20 50.869 16.274 13.215 1245 1HG GLN 20 2HG GLN 20 48.808 14.190 13.246 1246 2HG GLN 20 3HG GLN 20 50.139 13.757 14.301 1247 1HE2 GLN 20 1HE2 GLN 20 47.648 14.281 15.290 1248 2HE2 GLN 20 2HE2 GLN 20 47.643 15.745 16.215 1249 H LEU 21 HN LEU 21 49.268 16.314 9.153 1250 HA LEU 21 HA LEU 21 49.695 18.854 9.038 1251 1HB LEU 21 2HB LEU 21 47.723 17.146 8.014 1252 2HB LEU 21 3HB LEU 21 46.852 18.547 8.606 1253 HG LEU 21 HG LEU 21 49.095 18.531 6.571 1254 1HD1 LEU 21 1HD1 LEU 21 46.213 19.385 6.229 1255 2HD1 LEU 21 2HD1 LEU 21 47.455 19.180 4.971 1256 3HD1 LEU 21 3HD1 LEU 21 46.821 17.759 5.835 1257 1HD2 LEU 21 1HD2 LEU 21 47.712 20.834 7.946 1258 2HD2 LEU 21 2HD2 LEU 21 49.455 20.513 7.781 1259 3HD2 LEU 21 3HD2 LEU 21 48.502 21.003 6.360 1260 H ASP 22 HN ASP 22 50.021 20.180 10.779 1261 HA ASP 22 HA ASP 22 48.207 20.139 12.949 1262 1HB ASP 22 2HB ASP 22 50.818 20.865 12.670 1263 2HB ASP 22 3HB ASP 22 50.082 22.450 12.533 1264 H ARG 23 HN ARG 23 46.760 21.924 13.566 1265 HA ARG 23 HA ARG 23 45.522 23.124 11.376 1266 1HB ARG 23 2HB ARG 23 45.276 23.511 14.392 1267 2HB ARG 23 3HB ARG 23 44.288 24.428 13.272 1268 1HG ARG 23 2HG ARG 23 44.425 21.376 13.339 1269 2HG ARG 23 3HG ARG 23 43.176 22.323 14.121 1270 1HD ARG 23 2HD ARG 23 43.554 23.081 11.288 1271 2HD ARG 23 3HD ARG 23 43.117 21.395 11.475 1272 HE ARG 23 HE ARG 23 41.422 22.960 13.172 1273 1HH1 ARG 23 2HH2 ARG 23 41.983 22.331 9.755 1274 2HH1 ARG 23 1HH2 ARG 23 40.349 22.677 9.293 1275 1HH2 ARG 23 2HH1 ARG 23 39.268 23.416 12.562 1276 2HH2 ARG 23 1HH1 ARG 23 38.795 23.299 10.900 1277 H ASP 24 HN ASP 24 48.442 23.862 12.847 1278 HA ASP 24 HA ASP 24 48.150 26.662 12.097 1279 1HB ASP 24 2HB ASP 24 48.865 25.549 14.657 1280 2HB ASP 24 3HB ASP 24 50.303 26.301 13.997 1281 H GLN 25 HN GLN 25 49.079 24.154 10.646 1282 HA GLN 25 HA GLN 25 51.877 24.908 10.300 1283 1HB GLN 25 2HB GLN 25 50.605 22.321 10.678 1284 2HB GLN 25 3HB GLN 25 51.424 22.349 9.129 1285 1HG GLN 25 2HG GLN 25 53.517 23.141 10.243 1286 2HG GLN 25 3HG GLN 25 52.699 23.136 11.794 1287 1HE2 GLN 25 1HE2 GLN 25 53.673 21.576 12.882 1288 2HE2 GLN 25 2HE2 GLN 25 53.811 19.918 12.403 1289 H CYS 26 HN CYS 26 52.620 24.094 7.912 1290 HA CYS 26 HA CYS 26 50.695 25.368 6.130 1291 1HB CYS 26 2HB CYS 26 52.919 26.402 6.223 1292 2HB CYS 26 3HB CYS 26 53.671 24.882 5.783 1293 H ALA 27 HN ALA 27 49.712 24.167 4.501 1294 HA ALA 27 HA ALA 27 50.310 21.325 4.479 1295 1HB ALA 27 1HB ALA 27 48.223 21.460 2.882 1296 2HB ALA 27 2HB ALA 27 48.009 21.690 4.634 1297 3HB ALA 27 3HB ALA 27 48.055 23.101 3.550 1298 H TYR 28 HN TYR 28 52.201 23.398 3.361 1299 HA TYR 28 HA TYR 28 52.218 22.371 0.605 1300 1HB TYR 28 2HB TYR 28 51.608 24.889 1.095 1301 2HB TYR 28 3HB TYR 28 53.256 25.065 1.665 1302 HD1 TYR 28 HD1 TYR 28 51.159 25.458 -1.109 1303 HD2 TYR 28 HD2 TYR 28 55.104 24.167 -0.076 1304 HE1 TYR 28 HE1 TYR 28 51.939 25.917 -3.486 1305 HE2 TYR 28 HE2 TYR 28 55.871 24.631 -2.455 1306 HH TYR 28 HH TYR 28 54.295 24.700 -4.872 1307 H CYS 29 HN CYS 29 54.317 24.105 3.023 1308 HA CYS 29 HA CYS 29 56.535 22.486 2.062 1309 1HB CYS 29 2HB CYS 29 57.946 24.084 3.355 1310 2HB CYS 29 3HB CYS 29 57.003 24.842 2.087 1311 H LYS 30 HN LYS 30 54.348 23.078 4.795 1312 HA LYS 30 HA LYS 30 53.890 21.588 6.440 1313 1HB LYS 30 2HB LYS 30 55.548 19.995 5.056 1314 2HB LYS 30 3HB LYS 30 56.579 20.296 6.441 1315 1HG LYS 30 2HG LYS 30 55.291 18.350 7.004 1316 2HG LYS 30 3HG LYS 30 54.599 19.660 7.938 1317 1HD LYS 30 2HD LYS 30 52.746 18.456 6.972 1318 2HD LYS 30 3HD LYS 30 52.866 19.968 6.093 1319 1HE LYS 30 2HE LYS 30 52.860 18.666 4.215 1320 2HE LYS 30 3HE LYS 30 54.542 18.351 4.595 1321 1HZ LYS 30 1HZ LYS 30 53.047 16.644 6.148 1322 2HZ LYS 30 2HZ LYS 30 52.393 16.574 4.653 1323 3HZ LYS 30 3HZ LYS 30 53.981 16.257 4.865 1324 H GLU 31 HN GLU 31 55.273 24.272 6.316 1325 HA GLU 31 HA GLU 31 56.940 24.156 8.658 1326 1HB GLU 31 2HB GLU 31 56.326 26.180 6.533 1327 2HB GLU 31 3HB GLU 31 56.791 26.808 8.101 1328 1HG GLU 31 2HG GLU 31 58.836 26.557 6.865 1329 2HG GLU 31 3HG GLU 31 58.817 25.246 8.028 1330 H LYS 32 HN LYS 32 56.436 25.129 10.680 1331 HA LYS 32 HA LYS 32 53.579 25.486 11.082 1332 1HB LYS 32 2HB LYS 32 54.166 25.326 13.482 1333 2HB LYS 32 3HB LYS 32 54.658 23.922 12.556 1334 1HG LYS 32 2HG LYS 32 56.905 24.338 12.854 1335 2HG LYS 32 3HG LYS 32 56.714 26.073 12.703 1336 1HD LYS 32 2HD LYS 32 56.027 26.317 14.989 1337 2HD LYS 32 3HD LYS 32 55.692 24.605 15.162 1338 1HE LYS 32 2HE LYS 32 58.279 24.325 14.601 1339 2HE LYS 32 3HE LYS 32 58.377 26.007 15.086 1340 1HZ LYS 32 1HZ LYS 32 58.717 24.574 16.948 1341 2HZ LYS 32 2HZ LYS 32 57.317 25.386 17.168 1342 3HZ LYS 32 3HZ LYS 32 57.289 23.817 16.716 1343 H GLY 33 HN GLY 33 52.639 27.452 11.258 1344 1HA GLY 33 1HA GLY 33 53.062 29.619 12.544 1345 2HA GLY 33 2HA GLY 33 54.439 29.778 11.472 1346 H HIS 34 HN HIS 34 53.532 28.919 9.004 1347 HA HIS 34 HA HIS 34 51.309 30.766 8.519 1348 1HB HIS 34 2HB HIS 34 52.279 31.351 6.439 1349 2HB HIS 34 3HB HIS 34 53.547 31.467 7.643 1350 HD1 HIS 34 HD1 HIS 34 55.548 29.824 7.463 1351 HD2 HIS 34 HD2 HIS 34 52.591 29.240 4.546 1352 HE1 HIS 34 HE1 HIS 34 56.557 28.250 5.728 1353 H TRP 35 HN TRP 35 49.932 30.183 6.586 1354 HA TRP 35 HA TRP 35 49.555 27.280 6.584 1355 1HB TRP 35 2HB TRP 35 47.768 29.636 6.360 1356 2HB TRP 35 3HB TRP 35 47.350 28.246 5.378 1357 HD1 TRP 35 HD1 TRP 35 48.443 28.610 9.131 1358 HE1 TRP 35 HE1 TRP 35 46.878 27.159 10.683 1359 HE3 TRP 35 HE3 TRP 35 45.523 26.800 5.382 1360 HZ2 TRP 35 HZ2 TRP 35 44.644 25.455 10.179 1361 HZ3 TRP 35 HZ3 TRP 35 43.671 25.249 5.998 1362 HH2 TRP 35 HH2 TRP 35 43.211 24.573 8.301 1363 H ALA 36 HN ALA 36 48.722 26.425 4.359 1364 HA ALA 36 HA ALA 36 50.718 26.840 2.468 1365 1HB ALA 36 1HB ALA 36 47.953 25.788 1.828 1366 2HB ALA 36 2HB ALA 36 49.526 25.268 1.179 1367 3HB ALA 36 3HB ALA 36 49.076 24.863 2.852 1368 H LYS 37 HN LYS 37 47.513 28.351 2.965 1369 HA LYS 37 HA LYS 37 47.411 29.613 0.447 1370 1HB LYS 37 2HB LYS 37 45.974 29.917 3.068 1371 2HB LYS 37 3HB LYS 37 45.766 31.134 1.825 1372 1HG LYS 37 2HG LYS 37 44.040 29.596 1.341 1373 2HG LYS 37 3HG LYS 37 45.295 29.134 0.208 1374 1HD LYS 37 2HD LYS 37 46.070 27.359 1.806 1375 2HD LYS 37 3HD LYS 37 44.791 27.810 2.916 1376 1HE LYS 37 2HE LYS 37 43.078 27.005 1.486 1377 2HE LYS 37 3HE LYS 37 44.086 27.099 0.055 1378 1HZ LYS 37 1HZ LYS 37 43.706 24.921 1.674 1379 2HZ LYS 37 2HZ LYS 37 44.736 25.042 0.412 1380 3HZ LYS 37 3HZ LYS 37 45.254 25.375 1.924 1381 H ASP 38 HN ASP 38 49.547 29.994 3.047 1382 HA ASP 38 HA ASP 38 50.182 32.657 2.062 1383 1HB ASP 38 2HB ASP 38 49.175 32.148 4.604 1384 2HB ASP 38 3HB ASP 38 50.903 32.095 4.894 1385 H CYS 39 HN CYS 39 51.185 29.909 1.398 1386 HA CYS 39 HA CYS 39 53.627 29.534 2.801 1387 1HB CYS 39 2HB CYS 39 52.304 27.686 1.744 1388 2HB CYS 39 3HB CYS 39 52.746 28.308 0.167 1389 HA PRO 40 HA PRO 40 55.870 32.389 0.358 1390 1HB PRO 40 2HB PRO 40 58.386 31.840 1.273 1391 2HB PRO 40 3HB PRO 40 57.271 32.899 2.112 1392 1HG PRO 40 2HG PRO 40 58.059 30.130 2.783 1393 2HG PRO 40 3HG PRO 40 57.303 31.335 3.807 1394 1HD PRO 40 2HD PRO 40 56.023 29.087 2.568 1395 2HD PRO 40 3HD PRO 40 55.247 30.355 3.495 1396 H LYS 41 HN LYS 41 55.669 29.201 -0.145 1397 HA LYS 41 HA LYS 41 57.763 29.178 -2.171 1398 1HB LYS 41 2HB LYS 41 56.256 27.136 -0.631 1399 2HB LYS 41 3HB LYS 41 56.645 26.712 -2.286 1400 1HG LYS 41 2HG LYS 41 58.830 26.383 -1.767 1401 2HG LYS 41 3HG LYS 41 58.957 27.973 -1.042 1402 1HD LYS 41 2HD LYS 41 58.965 27.066 1.034 1403 2HD LYS 41 3HD LYS 41 57.406 26.321 0.744 1404 1HE LYS 41 2HE LYS 41 58.339 24.276 0.080 1405 2HE LYS 41 3HE LYS 41 59.818 25.014 -0.505 1406 1HZ LYS 41 1HZ LYS 41 59.795 23.747 1.714 1407 2HZ LYS 41 2HZ LYS 41 60.669 25.122 1.589 1408 3HZ LYS 41 3HZ LYS 41 59.218 25.142 2.338 1409 H LYS 42 HN LYS 42 54.315 29.623 -1.739 1410 HA LYS 42 HA LYS 42 53.178 28.729 -3.990 1411 1HB LYS 42 2HB LYS 42 52.774 31.100 -2.253 1412 2HB LYS 42 3HB LYS 42 52.005 31.171 -3.825 1413 1HG LYS 42 2HG LYS 42 51.498 28.540 -2.942 1414 2HG LYS 42 3HG LYS 42 51.327 29.510 -1.492 1415 1HD LYS 42 2HD LYS 42 50.039 30.943 -3.630 1416 2HD LYS 42 3HD LYS 42 49.503 29.277 -3.728 1417 1HE LYS 42 2HE LYS 42 49.387 29.757 -0.987 1418 2HE LYS 42 3HE LYS 42 48.944 31.320 -1.646 1419 1HZ LYS 42 1HZ LYS 42 47.379 29.059 -1.495 1420 2HZ LYS 42 2HZ LYS 42 46.985 30.498 -2.159 1421 3HZ LYS 42 3HZ LYS 42 47.638 29.323 -3.086 1422 HA PRO 43 HA PRO 43 55.802 30.688 -6.957 1423 1HB PRO 43 2HB PRO 43 55.414 28.863 -8.955 1424 2HB PRO 43 3HB PRO 43 56.680 28.712 -7.752 1425 1HG PRO 43 2HG PRO 43 54.132 27.227 -7.960 1426 2HG PRO 43 3HG PRO 43 55.572 26.815 -7.049 1427 1HD PRO 43 2HD PRO 43 53.130 27.901 -6.004 1428 2HD PRO 43 3HD PRO 43 54.609 27.599 -5.113 1429 H ARG 44 HN ARG 44 52.967 29.107 -8.361 1430 HA ARG 44 HA ARG 44 51.858 31.681 -8.866 1431 1HB ARG 44 2HB ARG 44 53.562 30.816 -10.819 1432 2HB ARG 44 3HB ARG 44 52.100 30.009 -11.355 1433 1HG ARG 44 2HG ARG 44 51.598 31.987 -12.377 1434 2HG ARG 44 3HG ARG 44 51.128 32.535 -10.780 1435 1HD ARG 44 2HD ARG 44 52.865 34.005 -10.683 1436 2HD ARG 44 3HD ARG 44 54.027 32.762 -11.103 1437 HE ARG 44 HE ARG 44 52.705 33.329 -13.504 1438 1HH1 ARG 44 2HH2 ARG 44 54.566 35.176 -11.157 1439 2HH1 ARG 44 1HH2 ARG 44 55.144 36.318 -12.323 1440 1HH2 ARG 44 2HH1 ARG 44 53.467 34.836 -15.043 1441 2HH2 ARG 44 1HH1 ARG 44 54.515 36.123 -14.549 1442 H GLY 45 HN GLY 45 49.711 31.271 -10.337 1443 1HA GLY 45 1HA GLY 45 48.557 28.695 -10.330 1444 2HA GLY 45 2HA GLY 45 48.050 29.559 -8.893 1445 HA PRO 46 HA PRO 46 46.321 28.491 -9.396 1446 1HB PRO 46 2HB PRO 46 44.156 27.366 -10.628 1447 2HB PRO 46 3HB PRO 46 44.020 28.559 -9.351 1448 1HG PRO 46 2HG PRO 46 43.596 28.898 -12.257 1449 2HG PRO 46 3HG PRO 46 43.066 29.929 -10.943 1450 1HD PRO 46 2HD PRO 46 45.268 30.407 -12.718 1451 2HD PRO 46 3HD PRO 46 44.809 31.378 -11.333 1452 H ARG 47 HN ARG 47 46.878 26.290 -9.418 1453 HA ARG 47 HA ARG 47 47.654 25.447 -12.089 1454 1HB ARG 47 2HB ARG 47 49.598 26.259 -10.540 1455 2HB ARG 47 3HB ARG 47 49.305 24.804 -9.607 1456 1HG ARG 47 2HG ARG 47 49.393 23.807 -12.203 1457 2HG ARG 47 3HG ARG 47 50.559 25.112 -12.282 1458 1HD ARG 47 2HD ARG 47 50.793 23.449 -9.827 1459 2HD ARG 47 3HD ARG 47 51.086 22.563 -11.309 1460 HE ARG 47 HE ARG 47 53.021 23.860 -11.708 1461 1HH1 ARG 47 2HH2 ARG 47 51.185 25.193 -9.019 1462 2HH1 ARG 47 1HH2 ARG 47 52.448 26.268 -8.522 1463 1HH2 ARG 47 2HH1 ARG 47 54.689 25.278 -11.054 1464 2HH2 ARG 47 1HH1 ARG 47 54.455 26.318 -9.687 1465 H GLY 48 HN GLY 48 47.352 23.192 -12.515 1466 1HA GLY 48 1HA GLY 48 45.430 21.872 -10.882 1467 2HA GLY 48 2HA GLY 48 46.235 21.242 -12.306 1468 HA PRO 49 HA PRO 49 48.301 19.864 -8.266 1469 1HB PRO 49 2HB PRO 49 46.510 18.410 -6.800 1470 2HB PRO 49 3HB PRO 49 46.912 20.078 -6.442 1471 1HG PRO 49 2HG PRO 49 44.467 18.991 -7.698 1472 2HG PRO 49 3HG PRO 49 44.715 20.557 -6.954 1473 1HD PRO 49 2HD PRO 49 44.619 19.988 -9.764 1474 2HD PRO 49 3HD PRO 49 44.982 21.532 -9.020 1475 H ARG 50 HN ARG 50 49.648 18.561 -9.377 1476 HA ARG 50 HA ARG 50 48.389 16.047 -10.130 1477 1HB ARG 50 2HB ARG 50 49.967 17.898 -11.666 1478 2HB ARG 50 3HB ARG 50 50.944 16.458 -11.455 1479 1HG ARG 50 2HG ARG 50 48.143 15.800 -12.098 1480 2HG ARG 50 3HG ARG 50 48.875 16.808 -13.329 1481 1HD ARG 50 2HD ARG 50 50.921 15.032 -12.923 1482 2HD ARG 50 3HD ARG 50 49.561 14.006 -12.512 1483 HE ARG 50 HE ARG 50 49.240 15.526 -15.018 1484 1HH1 ARG 50 2HH2 ARG 50 50.286 12.512 -13.531 1485 2HH1 ARG 50 1HH2 ARG 50 50.148 11.594 -14.993 1486 1HH2 ARG 50 2HH1 ARG 50 49.057 14.315 -16.948 1487 2HH2 ARG 50 1HH1 ARG 50 49.445 12.626 -16.950 1488 HA PRO 51 HA PRO 51 51.244 14.293 -7.314 1489 1HB PRO 51 2HB PRO 51 50.812 11.646 -7.846 1490 2HB PRO 51 3HB PRO 51 49.786 12.591 -6.784 1491 1HG PRO 51 2HG PRO 51 49.253 11.677 -9.545 1492 2HG PRO 51 3HG PRO 51 48.116 12.236 -8.336 1493 1HD PRO 51 2HD PRO 51 49.078 13.713 -10.598 1494 2HD PRO 51 3HD PRO 51 48.030 14.309 -9.325 1495 H GLN 52 HN GLN 52 53.217 12.975 -7.103 1496 HA GLN 52 HA GLN 52 54.379 12.327 -9.639 1497 1HB GLN 52 2HB GLN 52 54.967 14.846 -8.316 1498 2HB GLN 52 3HB GLN 52 56.413 13.857 -8.351 1499 1HG GLN 52 2HG GLN 52 54.677 14.308 -10.818 1500 2HG GLN 52 3HG GLN 52 56.012 15.364 -10.400 1501 1HE2 GLN 52 1HE2 GLN 52 55.133 12.812 -12.224 1502 2HE2 GLN 52 2HE2 GLN 52 56.649 12.010 -12.462 1503 H THR 53 HN THR 53 54.424 10.170 -8.824 1504 HA THR 53 HA THR 53 56.578 9.719 -6.910 1505 HB THR 53 HB THR 53 54.575 9.781 -5.494 1506 HG1 THR 53 HG1 THR 53 55.903 8.018 -4.946 1507 1HG2 THR 53 1HG2 THR 53 53.454 7.918 -7.636 1508 2HG2 THR 53 2HG2 THR 53 52.813 7.927 -5.976 1509 3HG2 THR 53 3HG2 THR 53 52.713 9.396 -6.976 1510 H SER 54 HN SER 54 57.919 8.148 -7.564 1511 HA SER 54 HA SER 54 57.244 5.774 -8.597 1512 1HB SER 54 2HB SER 54 56.850 7.848 -10.603 1513 2HB SER 54 3HB SER 54 58.117 6.755 -11.127 1514 HG SER 54 HG SER 54 56.202 5.173 -10.139 1515 H LEU 55 HN LEU 55 59.115 5.253 -7.365 1516 HA LEU 55 HA LEU 55 61.538 5.262 -8.766 1517 1HB LEU 55 2HB LEU 55 62.867 6.732 -7.352 1518 2HB LEU 55 3HB LEU 55 61.654 7.601 -8.269 1519 HG LEU 55 HG LEU 55 60.274 7.262 -5.983 1520 1HD1 LEU 55 1HD1 LEU 55 61.829 7.684 -4.071 1521 2HD1 LEU 55 2HD1 LEU 55 61.949 6.053 -4.775 1522 3HD1 LEU 55 3HD1 LEU 55 63.185 7.277 -5.151 1523 1HD2 LEU 55 1HD2 LEU 55 60.895 9.545 -5.392 1524 2HD2 LEU 55 2HD2 LEU 55 62.315 9.451 -6.461 1525 3HD2 LEU 55 3HD2 LEU 55 60.676 9.379 -7.150 1526 H LEU 56 HN LEU 56 63.306 4.243 -7.407 1527 HA LEU 56 HA LEU 56 62.628 3.192 -4.875 1528 1HB LEU 56 2HB LEU 56 61.144 1.863 -6.430 1529 2HB LEU 56 3HB LEU 56 62.601 1.179 -7.120 1530 HG LEU 56 HG LEU 56 63.205 0.375 -4.788 1531 1HD1 LEU 56 1HD1 LEU 56 60.295 0.898 -4.159 1532 2HD1 LEU 56 2HD1 LEU 56 61.569 0.286 -3.076 1533 3HD1 LEU 56 3HD1 LEU 56 61.618 1.973 -3.645 1534 1HD2 LEU 56 1HD2 LEU 56 61.909 -0.857 -6.767 1535 2HD2 LEU 56 2HD2 LEU 56 62.233 -1.636 -5.199 1536 3HD2 LEU 56 3HD2 LEU 56 60.632 -0.929 -5.528 Start of MODEL 12 1 1H5* G 276 1H5* G 276 57.475 -1.364 -13.809 2 2H5* G 276 2H5* G 276 59.037 -1.042 -14.559 3 H4* G 276 H4* G 276 57.095 0.224 -15.514 4 H3* G 276 H3* G 276 59.576 1.597 -14.530 5 H2* G 276 H2* G 276 58.718 3.696 -15.261 6 2HO* G 276 2HO* G 276 56.920 3.658 -16.653 7 H1* G 276 H1* G 276 56.266 3.355 -13.998 8 H8 G 276 H8 G 276 58.723 1.775 -11.753 9 H1 G 276 H1 G 276 58.807 8.234 -11.366 10 1H2 G 276 1H2 G 276 57.716 9.032 -12.924 11 2H2 G 276 2H2 G 276 56.901 8.091 -14.152 12 1H5* G 277 1H5* G 277 58.802 3.737 -17.591 13 2H5* G 277 2H5* G 277 60.052 3.590 -18.826 14 H4* G 277 H4* G 277 59.859 5.878 -18.541 15 H3* G 277 H3* G 277 62.147 4.902 -16.829 16 H2* G 277 H2* G 277 62.675 7.157 -16.344 17 2HO* G 277 2HO* G 277 62.130 8.605 -17.895 18 H1* G 277 H1* G 277 59.928 7.834 -15.958 19 H8 G 277 H8 G 277 60.753 4.692 -14.175 20 H1 G 277 H1 G 277 62.555 9.987 -10.920 21 1H2 G 277 1H2 G 277 62.407 11.636 -12.150 22 2H2 G 277 2H2 G 277 61.874 11.590 -13.816 23 1H5* C 278 1H5* C 278 63.470 7.572 -19.666 24 2H5* C 278 2H5* C 278 65.152 7.564 -20.194 25 H4* C 278 H4* C 278 64.670 9.625 -19.048 26 H3* C 278 H3* C 278 66.509 7.746 -17.562 27 H2* C 278 H2* C 278 66.913 9.470 -15.988 28 2HO* C 278 2HO* C 278 67.051 11.235 -17.313 29 H1* C 278 H1* C 278 64.157 10.169 -15.860 30 1H4 C 278 1H4 C 278 65.286 6.708 -10.604 31 2H4 C 278 2H4 C 278 65.045 5.252 -11.542 32 H5 C 278 H5 C 278 64.723 5.230 -13.881 33 H6 C 278 H6 C 278 64.551 6.616 -15.918 34 1H5* G 279 1H5* G 279 69.391 11.119 -19.105 35 2H5* G 279 2H5* G 279 71.005 10.460 -18.834 36 H4* G 279 H4* G 279 70.427 12.548 -17.550 37 H3* G 279 H3* G 279 71.407 10.059 -16.155 38 H2* G 279 H2* G 279 71.567 11.313 -14.141 39 2HO* G 279 2HO* G 279 70.794 13.519 -15.824 40 H1* G 279 H1* G 279 69.004 12.460 -14.522 41 H8 G 279 H8 G 279 68.710 8.892 -15.340 42 H1 G 279 H1 G 279 68.893 9.941 -8.956 43 1H2 G 279 1H2 G 279 69.476 11.884 -8.594 44 2H2 G 279 2H2 G 279 69.859 13.057 -9.835 45 1H5* G 280 1H5* G 280 75.057 13.068 -15.131 46 2H5* G 280 2H5* G 280 76.259 11.778 -15.169 47 H4* G 280 H4* G 280 76.145 13.094 -13.037 48 H3* G 280 H3* G 280 75.897 10.099 -13.073 49 H2* G 280 H2* G 280 75.854 10.072 -10.699 50 2HO* G 280 2HO* G 280 76.716 11.833 -9.666 51 H1* G 280 H1* G 280 73.929 12.085 -10.513 52 H8 G 280 H8 G 280 72.941 10.097 -13.441 53 H1 G 280 H1 G 280 71.498 7.147 -7.866 54 1H2 G 280 1H2 G 280 72.446 8.111 -6.310 55 2H2 G 280 2H2 G 280 73.480 9.512 -6.489 56 1H5* U 281 1H5* U 281 78.245 10.758 -10.417 57 2H5* U 281 2H5* U 281 79.956 10.336 -10.479 58 H4* U 281 H4* U 281 79.375 9.483 -8.439 59 H3* U 281 H3* U 281 78.959 7.248 -10.427 60 H2* U 281 H2* U 281 78.477 5.798 -8.619 61 2HO* U 281 2HO* U 281 78.803 6.948 -6.421 62 H1* U 281 H1* U 281 76.848 7.746 -7.328 63 H3 U 281 H3 U 281 74.008 4.323 -8.312 64 H5 U 281 H5 U 281 74.572 6.297 -11.963 65 H6 U 281 H6 U 281 76.309 7.632 -10.860 66 2HO* AP7 282 2HO* A 282 80.384 2.290 -5.757 67 H2* AP7 282 H2* A 282 79.698 1.154 -8.297 68 H3* AP7 282 H3* A 282 81.149 2.740 -9.286 69 H4* AP7 282 H4* A 282 81.609 3.929 -6.549 70 H1* AP7 282 H1* A 282 78.470 3.136 -6.649 71 H8 AP7 282 H8 A 282 78.949 3.992 -10.293 72 H2 AP7 282 H2 A 282 74.416 0.840 -6.997 73 H1 AP7 282 H1 A 282 73.353 1.024 -8.981 74 1H6 AP7 282 1H6 A 282 73.213 1.699 -11.187 75 2H6 AP7 282 2H6 A 282 74.534 2.552 -11.954 76 2H5* AP7 282 2H5* A 282 83.047 4.775 -8.293 77 1H5* AP7 282 1H5* A 282 81.924 6.029 -7.767 78 1H5* C 283 1H5* C 283 82.623 -0.812 -6.918 79 2H5* C 283 2H5* C 283 83.093 -1.992 -8.141 80 H4* C 283 H4* C 283 81.147 -2.653 -6.718 81 H3* C 283 H3* C 283 80.992 -2.600 -9.711 82 H2* C 283 H2* C 283 78.759 -3.410 -9.647 83 2HO* C 283 2HO* C 283 78.237 -3.570 -7.044 84 H1* C 283 H1* C 283 78.026 -1.546 -7.631 85 1H4 C 283 1H4 C 283 75.845 0.846 -13.155 86 2H4 C 283 2H4 C 283 77.387 1.642 -13.374 87 H5 C 283 H5 C 283 79.250 1.315 -11.961 88 H6 C 283 H6 C 283 80.100 0.130 -9.968 89 1H5* U 284 1H5* U 284 79.346 -5.876 -8.561 90 2H5* U 284 2H5* U 284 80.193 -7.387 -8.888 91 H4* U 284 H4* U 284 78.097 -7.994 -9.514 92 H3* U 284 H3* U 284 79.392 -6.849 -11.968 93 H2* U 284 H2* U 284 77.416 -7.275 -13.223 94 2HO* U 284 2HO* U 284 76.779 -9.205 -12.335 95 H1* U 284 H1* U 284 75.734 -6.079 -11.359 96 H3 U 284 H3 U 284 75.870 -3.066 -14.751 97 H5 U 284 H5 U 284 79.505 -2.505 -12.745 98 H6 U 284 H6 U 284 78.955 -4.481 -11.402 99 1H5* A 285 1H5* A 285 77.751 -10.786 -13.318 100 2H5* A 285 2H5* A 285 78.906 -11.363 -14.519 101 H4* A 285 H4* A 285 76.543 -11.078 -15.321 102 H3* A 285 H3* A 285 78.857 -9.738 -16.708 103 H2* A 285 H2* A 285 77.381 -9.000 -18.414 104 2HO* A 285 2HO* A 285 75.011 -9.878 -17.719 105 H1* A 285 H1* A 285 75.454 -8.078 -16.592 106 H8 A 285 H8 A 285 78.714 -7.174 -15.154 107 1H6 A 285 1H6 A 285 78.793 -2.223 -18.953 108 2H6 A 285 2H6 A 285 79.572 -2.963 -17.573 109 H2 A 285 H2 A 285 75.492 -4.908 -20.235 110 1H5* G 286 1H5* G 286 76.965 -12.045 -19.877 111 2H5* G 286 2H5* G 286 78.255 -12.643 -20.918 112 H4* G 286 H4* G 286 76.655 -11.251 -22.137 113 H3* G 286 H3* G 286 79.488 -10.230 -21.915 114 H2* G 286 H2* G 286 78.939 -8.520 -23.460 115 2HO* G 286 2HO* G 286 76.336 -9.095 -23.942 116 H1* G 286 H1* G 286 76.454 -7.989 -22.173 117 H8 G 286 H8 G 286 79.124 -8.298 -19.633 118 H1 G 286 H1 G 286 79.066 -2.506 -22.520 119 1H2 G 286 1H2 G 286 77.824 -2.569 -24.164 120 2H2 G 286 2H2 G 286 76.931 -3.981 -24.685 121 1H5* U 287 1H5* U 287 78.242 -10.631 -25.649 122 2H5* U 287 2H5* U 287 79.280 -11.155 -26.975 123 H4* U 287 H4* U 287 78.389 -9.023 -27.541 124 H3* U 287 H3* U 287 81.306 -8.977 -26.810 125 H2* U 287 H2* U 287 81.410 -6.677 -27.350 126 2HO* U 287 2HO* U 287 78.709 -7.105 -28.258 127 H1* U 287 H1* U 287 78.920 -6.157 -26.029 128 H3 U 287 H3 U 287 82.053 -3.600 -23.891 129 H5 U 287 H5 U 287 82.584 -7.461 -22.357 130 H6 U 287 H6 U 287 81.019 -8.251 -24.072 131 1H5* U 288 1H5* U 288 81.095 -7.127 -30.265 132 2H5* U 288 2H5* U 288 82.321 -7.485 -31.480 133 H4* U 288 H4* U 288 82.502 -5.182 -30.985 134 H3* U 288 H3* U 288 84.702 -6.789 -29.685 135 H2* U 288 H2* U 288 85.711 -4.787 -28.983 136 2HO* U 288 2HO* U 288 84.029 -2.993 -30.188 137 H1* U 288 H1* U 288 83.115 -3.591 -28.459 138 H3 U 288 H3 U 288 85.340 -3.045 -24.530 139 H5 U 288 H5 U 288 84.491 -7.143 -24.676 140 H6 U 288 H6 U 288 83.705 -6.797 -26.974 141 1H5* G 289 1H5* G 289 87.585 -4.614 -32.874 142 2H5* G 289 2H5* G 289 88.735 -5.949 -32.858 143 H4* G 289 H4* G 289 89.657 -3.741 -32.135 144 H3* G 289 H3* G 289 89.877 -6.214 -30.477 145 H2* G 289 H2* G 289 91.019 -5.048 -28.747 146 2HO* G 289 2HO* G 289 91.203 -2.586 -29.410 147 H1* G 289 H1* G 289 89.131 -2.982 -28.657 148 H8 G 289 H8 G 289 87.797 -6.486 -29.231 149 H1 G 289 H1 G 289 88.140 -4.707 -23.018 150 1H2 G 289 1H2 G 289 89.105 -2.890 -22.874 151 2H2 G 289 2H2 G 289 89.729 -1.984 -24.235 152 1H5* A 290 1H5* A 290 92.689 -8.513 -29.536 153 2H5* A 290 2H5* A 290 91.803 -7.581 -28.330 154 H4* A 290 H4* A 290 93.918 -8.596 -27.502 155 H3* A 290 H3* A 290 93.467 -5.628 -27.343 156 H2* A 290 H2* A 290 95.511 -5.374 -26.173 157 2HO* A 290 2HO* A 290 95.102 -7.327 -24.966 158 H1* A 290 H1* A 290 96.894 -7.108 -27.955 159 H8 A 290 H8 A 290 95.127 -5.033 -30.269 160 1H6 A 290 1H6 A 290 99.092 -0.358 -29.096 161 2H6 A 290 2H6 A 290 97.849 -0.922 -30.191 162 H2 A 290 H2 A 290 99.617 -3.450 -25.948 163 1H5* G 291 1H5* G 291 95.804 -5.021 -24.163 164 2H5* G 291 2H5* G 291 94.557 -4.701 -22.958 165 H4* G 291 H4* G 291 96.053 -2.787 -23.293 166 H3* G 291 H3* G 291 93.131 -2.477 -23.921 167 H2* G 291 H2* G 291 93.464 -0.173 -24.385 168 2HO* G 291 2HO* G 291 94.942 0.245 -22.745 169 H1* G 291 H1* G 291 95.660 -0.599 -26.039 170 H8 G 291 H8 G 291 92.965 -3.251 -26.242 171 H1 G 291 H1 G 291 92.190 1.692 -30.346 172 1H2 G 291 1H2 G 291 93.582 3.155 -29.932 173 2H2 G 291 2H2 G 291 94.782 3.058 -28.662 174 1H5* A 292 1H5* A 292 94.476 -1.195 -19.713 175 2H5* A 292 2H5* A 292 93.244 -0.795 -18.517 176 H4* A 292 H4* A 292 93.968 1.193 -19.690 177 H3* A 292 H3* A 292 91.133 0.303 -20.159 178 H2* A 292 H2* A 292 90.739 2.189 -21.506 179 2HO* A 292 2HO* A 292 93.291 3.014 -20.450 180 H1* A 292 H1* A 292 93.400 2.001 -22.655 181 H8 A 292 H8 A 292 90.664 -0.679 -22.615 182 1H6 A 292 1H6 A 292 89.822 0.787 -28.623 183 2H6 A 292 2H6 A 292 89.314 -0.291 -27.342 184 H2 A 292 H2 A 292 92.890 3.525 -26.939 185 1H5* A 293 1H5* A 293 89.291 5.272 -19.293 186 2H5* A 293 2H5* A 293 88.176 3.910 -19.385 187 H4* A 293 H4* A 293 89.063 5.734 -21.458 188 H3* A 293 H3* A 293 86.750 3.929 -20.958 189 H2* A 293 H2* A 293 86.288 3.660 -23.257 190 2HO* A 293 2HO* A 293 86.937 5.300 -24.573 191 H1* A 293 H1* A 293 88.827 3.044 -24.043 192 H8 A 293 H8 A 293 88.668 1.827 -20.553 193 1H6 A 293 1H6 A 293 85.878 -3.313 -22.731 194 2H6 A 293 2H6 A 293 86.622 -2.593 -21.322 195 H2 A 293 H2 A 293 86.048 -0.325 -26.016 196 1H5* A 294 1H5* A 294 85.392 6.483 -24.131 197 2H5* A 294 2H5* A 294 83.875 7.174 -23.554 198 H4* A 294 H4* A 294 83.503 6.199 -25.703 199 H3* A 294 H3* A 294 82.254 4.715 -23.406 200 H2* A 294 H2* A 294 81.215 3.224 -24.933 201 2HO* A 294 2HO* A 294 82.402 4.602 -27.116 202 H1* A 294 H1* A 294 83.549 2.765 -26.391 203 H8 A 294 H8 A 294 84.379 3.104 -22.768 204 1H6 A 294 1H6 A 294 83.117 -2.984 -22.225 205 2H6 A 294 2H6 A 294 83.781 -1.595 -21.395 206 H2 A 294 H2 A 294 81.842 -1.655 -26.269 207 1H5* C 295 1H5* C 295 79.658 5.513 -26.090 208 2H5* C 295 2H5* C 295 78.005 6.080 -25.855 209 H4* C 295 H4* C 295 77.797 4.029 -26.960 210 H3* C 295 H3* C 295 77.271 3.707 -24.009 211 H2* C 295 H2* C 295 76.638 1.456 -24.400 212 2HO* C 295 2HO* C 295 76.066 0.894 -26.501 213 H1* C 295 H1* C 295 78.857 0.973 -26.090 214 1H4 C 295 1H4 C 295 80.585 -1.449 -20.443 215 2H4 C 295 2H4 C 295 80.988 0.160 -19.887 216 H5 C 295 H5 C 295 80.587 2.123 -21.137 217 H6 C 295 H6 C 295 79.693 3.034 -23.251 218 1H5* U 296 1H5* U 296 73.445 2.810 -25.991 219 2H5* U 296 2H5* U 296 72.090 3.114 -24.905 220 H4* U 296 H4* U 296 72.226 0.765 -25.551 221 H3* U 296 H3* U 296 72.667 1.421 -22.639 222 H2* U 296 H2* U 296 72.650 -0.899 -22.156 223 2HO* U 296 2HO* U 296 71.876 -2.312 -23.833 224 H1* U 296 H1* U 296 74.316 -1.504 -24.378 225 H3 U 296 H3 U 296 76.664 -2.644 -20.618 226 H5 U 296 H5 U 296 77.160 1.497 -20.994 227 H6 U 296 H6 U 296 75.475 1.437 -22.774 228 1H5* A 297 1H5* A 297 69.645 -1.121 -23.147 229 2H5* A 297 2H5* A 297 68.195 -1.095 -22.142 230 H4* A 297 H4* A 297 69.164 -3.231 -21.879 231 H3* A 297 H3* A 297 69.624 -1.441 -19.504 232 H2* A 297 H2* A 297 70.632 -3.260 -18.347 233 2HO* A 297 2HO* A 297 69.247 -4.867 -19.110 234 H1* A 297 H1* A 297 72.250 -3.932 -20.565 235 H8 A 297 H8 A 297 72.286 -0.265 -20.298 236 1H6 A 297 1H6 A 297 76.646 -0.830 -15.868 237 2H6 A 297 2H6 A 297 75.834 0.307 -16.921 238 H2 A 297 H2 A 297 74.940 -4.856 -16.661 239 1H5* G 298 1H5* G 298 67.937 -5.369 -17.693 240 2H5* G 298 2H5* G 298 66.800 -4.639 -16.560 241 H4* G 298 H4* G 298 68.323 -6.222 -15.472 242 H3* G 298 H3* G 298 68.403 -3.333 -14.637 243 H2* G 298 H2* G 298 69.938 -3.890 -12.903 244 2HO* G 298 2HO* G 298 68.864 -5.906 -12.495 245 H1* G 298 H1* G 298 71.577 -5.374 -14.647 246 H8 G 298 H8 G 298 70.573 -2.404 -16.545 247 H1 G 298 H1 G 298 75.121 -1.061 -12.140 248 1H2 G 298 1H2 G 298 75.317 -2.653 -10.845 249 2H2 G 298 2H2 G 298 74.387 -4.132 -10.939 250 1H5* C 299 1H5* C 299 67.707 -5.155 -11.081 251 2H5* C 299 2H5* C 299 66.681 -4.219 -9.995 252 H4* C 299 H4* C 299 69.021 -4.469 -9.213 253 H3* C 299 H3* C 299 67.822 -1.752 -9.639 254 H2* C 299 H2* C 299 69.806 -0.713 -8.881 255 2HO* C 299 2HO* C 299 70.987 -1.881 -7.454 256 H1* C 299 H1* C 299 71.447 -2.506 -10.393 257 1H4 C 299 1H4 C 299 71.463 3.080 -13.529 258 2H4 C 299 2H4 C 299 70.052 2.536 -14.410 259 H5 C 299 H5 C 299 68.892 0.535 -13.932 260 H6 C 299 H6 C 299 68.799 -1.457 -12.475 261 1H5* U 300 1H5* U 300 69.660 -2.392 -6.053 262 2H5* U 300 2H5* U 300 68.754 -2.096 -4.569 263 H4* U 300 H4* U 300 70.790 -1.160 -4.066 264 H3* U 300 H3* U 300 68.998 1.007 -5.125 265 H2* U 300 H2* U 300 70.711 2.608 -4.803 266 2HO* U 300 2HO* U 300 72.658 1.769 -3.642 267 H1* U 300 H1* U 300 72.703 1.096 -6.003 268 H3 U 300 H3 U 300 71.888 4.134 -9.238 269 H5 U 300 H5 U 300 68.513 1.659 -9.362 270 H6 U 300 H6 U 300 69.389 0.532 -7.367 271 1H5* C 301 1H5* C 301 69.731 2.095 -0.911 272 2H5* C 301 2H5* C 301 68.672 3.397 -0.371 273 H4* C 301 H4* C 301 71.005 4.113 -0.762 274 H3* C 301 H3* C 301 68.745 5.389 -2.265 275 H2* C 301 H2* C 301 70.242 6.861 -3.354 276 2HO* C 301 2HO* C 301 72.228 5.659 -1.647 277 H1* C 301 H1* C 301 72.111 4.757 -3.862 278 1H4 C 301 1H4 C 301 69.195 5.856 -9.446 279 2H4 C 301 2H4 C 301 67.885 4.815 -8.937 280 H5 C 301 H5 C 301 67.713 3.875 -6.777 281 H6 C 301 H6 C 301 68.768 3.702 -4.551 282 1H5* U 302 1H5* U 302 70.719 8.163 -1.211 283 2H5* U 302 2H5* U 302 70.234 9.441 -0.095 284 H4* U 302 H4* U 302 70.739 10.788 -1.816 285 H3* U 302 H3* U 302 67.963 9.854 -2.500 286 H2* U 302 H2* U 302 68.026 11.137 -4.494 287 2HO* U 302 2HO* U 302 69.657 12.728 -4.664 288 H1* U 302 H1* U 302 70.593 10.228 -5.202 289 H3 U 302 H3 U 302 68.360 7.963 -8.357 290 H5 U 302 H5 U 302 66.784 6.386 -4.812 291 H6 U 302 H6 U 302 68.147 8.021 -3.594 292 1H5* G 303 1H5* G 303 68.094 13.771 -2.692 293 2H5* G 303 2H5* G 303 66.778 14.846 -2.220 294 H4* G 303 H4* G 303 66.926 15.193 -4.497 295 H3* G 303 H3* G 303 64.786 13.133 -3.986 296 H2* G 303 H2* G 303 64.311 13.058 -6.281 297 2HO* G 303 2HO* G 303 66.085 15.202 -6.818 298 H1* G 303 H1* G 303 67.127 13.385 -6.941 299 H8 G 303 H8 G 303 66.170 10.505 -4.729 300 H1 G 303 H1 G 303 65.957 9.144 -11.052 301 1H2 G 303 1H2 G 303 66.194 10.880 -12.140 302 2H2 G 303 2H2 G 303 66.417 12.468 -11.441 303 1H5* U 304 1H5* U 304 63.443 16.465 -5.674 304 2H5* U 304 2H5* U 304 61.820 17.157 -5.688 305 H4* U 304 H4* U 304 62.267 16.261 -7.850 306 H3* U 304 H3* U 304 60.281 14.688 -6.234 307 H2* U 304 H2* U 304 60.051 13.126 -7.930 308 2HO* U 304 2HO* U 304 61.307 14.428 -9.979 309 H1* U 304 H1* U 304 62.818 13.676 -8.841 310 H3 U 304 H3 U 304 62.887 9.176 -9.187 311 H5 U 304 H5 U 304 62.222 9.828 -5.104 312 H6 U 304 H6 U 304 62.021 12.217 -5.619 313 1H5* A 305 1H5* A 305 57.599 18.871 -9.468 314 2H5* A 305 2H5* A 305 58.056 18.100 -7.950 315 H4* A 305 H4* A 305 55.982 17.390 -9.755 316 H3* A 305 H3* A 305 56.958 16.356 -7.103 317 H2* A 305 H2* A 305 55.633 14.445 -7.322 318 2HO* A 305 2HO* A 305 53.806 15.710 -7.935 319 H1* A 305 H1* A 305 56.064 14.463 -10.231 320 H8 A 305 H8 A 305 57.572 13.563 -6.848 321 1H6 A 305 1H6 A 305 59.580 8.355 -9.641 322 2H6 A 305 2H6 A 305 59.471 9.190 -8.107 323 H2 A 305 H2 A 305 57.706 10.951 -12.721 324 1H5* U 306 1H5* U 306 52.335 17.870 -5.112 325 2H5* U 306 2H5* U 306 52.147 19.599 -5.405 326 H4* U 306 H4* U 306 52.521 18.474 -2.966 327 H3* U 306 H3* U 306 53.194 21.259 -3.934 328 H2* U 306 H2* U 306 54.107 21.723 -1.875 329 2HO* U 306 2HO* U 306 53.094 20.158 -0.114 330 H1* U 306 H1* U 306 54.418 18.790 -1.358 331 H3 U 306 H3 U 306 58.580 19.226 0.177 332 H5 U 306 H5 U 306 58.337 22.365 -2.583 333 H6 U 306 H6 U 306 56.047 21.633 -3.065 334 1H5* C 307 1H5* C 307 49.696 19.905 -0.019 335 2H5* C 307 2H5* C 307 48.038 19.507 -0.468 336 H4* C 307 H4* C 307 48.189 21.561 0.866 337 H3* C 307 H3* C 307 47.104 21.727 -1.935 338 H2* C 307 H2* C 307 46.569 24.017 -1.581 339 2HO* C 307 2HO* C 307 45.905 23.759 0.574 340 H1* C 307 H1* C 307 49.115 24.571 -0.483 341 1H4 C 307 1H4 C 307 49.250 26.389 -6.639 342 2H4 C 307 2H4 C 307 49.983 24.846 -7.010 343 H5 C 307 H5 C 307 50.239 23.099 -5.442 344 H6 C 307 H6 C 307 49.849 22.395 -3.107 345 1H5* U 308 1H5* U 308 44.484 18.863 -1.802 346 2H5* U 308 2H5* U 308 42.770 18.843 -1.386 347 H4* U 308 H4* U 308 43.433 16.935 -0.344 348 H3* U 308 H3* U 308 43.895 19.112 1.699 349 H2* U 308 H2* U 308 44.771 17.554 3.141 350 2HO* U 308 2HO* U 308 42.671 16.489 2.931 351 H1* U 308 H1* U 308 45.264 15.710 0.827 352 H3 U 308 H3 U 308 49.425 14.668 2.053 353 H5 U 308 H5 U 308 48.889 18.413 3.850 354 H6 U 308 H6 U 308 46.665 18.480 2.818 355 1H5* G 309 1H5* G 309 41.628 17.869 5.747 356 2H5* G 309 2H5* G 309 40.266 18.560 4.865 357 H4* G 309 H4* G 309 40.906 19.862 6.863 358 H3* G 309 H3* G 309 40.997 21.150 4.148 359 H2* G 309 H2* G 309 41.671 23.182 5.087 360 2HO* G 309 2HO* G 309 41.396 23.278 7.524 361 H1* G 309 H1* G 309 43.211 21.743 7.136 362 H8 G 309 H8 G 309 43.572 22.009 3.320 363 H1 G 309 H1 G 309 48.169 24.970 6.783 364 1H2 G 309 1H2 G 309 47.751 24.774 8.793 365 2H2 G 309 2H2 G 309 46.363 23.933 9.443 366 1H5* G 310 1H5* G 310 41.406 22.838 3.165 367 2H5* G 310 2H5* G 310 40.195 23.876 3.918 368 H4* G 310 H4* G 310 41.218 24.276 1.455 369 H3* G 310 H3* G 310 38.507 25.040 2.550 370 H2* G 310 H2* G 310 38.058 26.140 0.510 371 2HO* G 310 2HO* G 310 40.845 25.596 0.013 372 H1* G 310 H1* G 310 39.285 24.014 -0.998 373 H8 G 310 H8 G 310 36.853 22.556 1.328 374 H1 G 310 H1 G 310 34.005 25.180 -3.856 375 1H2 G 310 1H2 G 310 35.371 26.337 -4.882 376 2H2 G 310 2H2 G 310 37.039 26.560 -4.407 377 1H5* C 311 1H5* C 311 40.640 28.510 1.605 378 2H5* C 311 2H5* C 311 40.582 29.873 2.723 379 H4* C 311 H4* C 311 39.883 30.776 0.699 380 H3* C 311 H3* C 311 37.505 30.129 2.423 381 H2* C 311 H2* C 311 36.064 31.065 0.790 382 2HO* C 311 2HO* C 311 38.584 31.825 -0.380 383 H1* C 311 H1* C 311 37.418 29.745 -1.334 384 1H4 C 311 1H4 C 311 32.127 26.311 -0.290 385 2H4 C 311 2H4 C 311 32.961 25.461 0.992 386 H5 C 311 H5 C 311 35.125 26.024 1.752 387 H6 C 311 H6 C 311 37.041 27.554 1.467 388 1H5* G 312 1H5* G 312 36.760 35.027 1.797 389 2H5* G 312 2H5* G 312 35.288 34.932 2.763 390 H4* G 312 H4* G 312 35.397 35.359 0.066 391 H3* G 312 H3* G 312 33.213 34.477 1.910 392 H2* G 312 H2* G 312 31.756 34.059 0.076 393 2HO* G 312 2HO* G 312 32.882 35.957 -0.971 394 H1* G 312 H1* G 312 33.543 32.485 -1.300 395 H8 G 312 H8 G 312 34.584 31.536 1.998 396 H1 G 312 H1 G 312 28.628 29.324 0.767 397 1H2 G 312 1H2 G 312 27.867 30.282 -0.892 398 2H2 G 312 2H2 G 312 28.716 31.502 -1.814 399 1H5* G 313 1H5* G 313 30.989 35.759 -1.414 400 2H5* G 313 2H5* G 313 30.457 37.332 -0.818 401 H4* G 313 H4* G 313 28.514 36.382 -1.652 402 H3* G 313 H3* G 313 28.650 36.030 1.324 403 H2* G 313 H2* G 313 26.540 34.945 1.322 404 2HO* G 313 2HO* G 313 25.211 35.329 -0.419 405 H1* G 313 H1* G 313 27.157 33.200 -0.734 406 H8 G 313 H8 G 313 30.196 33.938 1.348 407 H1 G 313 H1 G 313 26.481 29.192 3.707 408 1H2 G 313 1H2 G 313 24.712 29.113 2.650 409 2H2 G 313 2H2 G 313 24.298 30.174 1.322 410 1H5* A 314 1H5* A 314 24.819 37.282 -0.244 411 2H5* A 314 2H5* A 314 23.950 38.327 0.880 412 H4* A 314 H4* A 314 22.594 36.420 0.222 413 H3* A 314 H3* A 314 23.412 36.626 3.105 414 H2* A 314 H2* A 314 22.075 34.722 3.620 415 2HO* A 314 2HO* A 314 20.554 35.532 1.923 416 H1* A 314 H1* A 314 23.159 33.166 1.596 417 H8 A 314 H8 A 314 25.735 35.490 3.031 418 1H6 A 314 1H6 A 314 26.915 31.026 7.229 419 2H6 A 314 2H6 A 314 27.461 32.567 6.608 420 H2 A 314 H2 A 314 23.303 29.847 4.925 421 1H5* C 315 1H5* C 315 20.067 34.525 3.534 422 2H5* C 315 2H5* C 315 18.929 35.668 4.247 423 H4* C 315 H4* C 315 19.134 33.514 5.474 424 H3* C 315 H3* C 315 18.838 36.006 6.610 425 H2* C 315 H2* C 315 21.056 36.273 7.342 426 2HO* C 315 2HO* C 315 19.779 36.270 9.181 427 H1* C 315 H1* C 315 21.303 33.357 8.106 428 1H4 C 315 1H4 C 315 27.505 34.470 7.296 429 2H4 C 315 2H4 C 315 27.168 35.782 6.189 430 H5 C 315 H5 C 315 24.991 36.437 5.550 431 H6 C 315 H6 C 315 22.577 35.990 5.819 432 1H5* C 316 1H5* C 316 15.737 31.773 8.173 433 2H5* C 316 2H5* C 316 17.469 31.476 8.324 434 H4* C 316 H4* C 316 15.438 30.099 6.610 435 H3* C 316 H3* C 316 17.460 29.281 8.651 436 H2* C 316 H2* C 316 17.892 27.237 7.545 437 2HO* C 316 2HO* C 316 15.487 27.296 7.046 438 H1* C 316 H1* C 316 18.247 28.303 5.045 439 1H4 C 316 1H4 C 316 24.010 28.720 7.790 440 2H4 C 316 2H4 C 316 23.591 30.322 8.356 441 H5 C 316 H5 C 316 21.448 31.284 8.112 442 H6 C 316 H6 C 316 19.156 30.943 7.257 443 1H5* C 317 1H5* C 317 14.725 26.132 8.812 444 2H5* C 317 2H5* C 317 14.188 25.724 10.442 445 H4* C 317 H4* C 317 15.171 23.770 9.596 446 H3* C 317 H3* C 317 17.014 25.207 11.492 447 H2* C 317 H2* C 317 18.569 23.421 11.318 448 2HO* C 317 2HO* C 317 17.477 21.558 11.099 449 H1* C 317 H1* C 317 18.444 23.334 8.523 450 1H4 C 317 1H4 C 317 23.452 27.097 9.760 451 2H4 C 317 2H4 C 317 22.366 28.446 9.999 452 H5 C 317 H5 C 317 20.011 28.261 9.979 453 H6 C 317 H6 C 317 18.101 26.718 9.721 454 1H5* G 318 1H5* G 318 16.680 21.519 12.929 455 2H5* G 318 2H5* G 318 16.031 21.314 14.556 456 H4* G 318 H4* G 318 17.986 20.064 14.582 457 H3* G 318 H3* G 318 18.494 22.769 15.802 458 H2* G 318 H2* G 318 20.704 22.094 16.343 459 2HO* G 318 2HO* G 318 19.754 19.560 15.353 460 H1* G 318 H1* G 318 21.205 21.042 13.794 461 H8 G 318 H8 G 318 19.170 24.223 13.814 462 H1 G 318 H1 G 318 25.574 25.152 13.680 463 1H2 G 318 1H2 G 318 26.537 23.351 13.954 464 2H2 G 318 2H2 G 318 25.730 21.816 14.186 465 1H5* U 319 1H5* U 319 19.410 20.930 18.450 466 2H5* U 319 2H5* U 319 19.244 21.066 20.201 467 H4* U 319 H4* U 319 20.620 22.798 18.310 468 H3* U 319 H3* U 319 20.726 22.278 21.272 469 H2* U 319 H2* U 319 22.055 24.245 21.537 470 2HO* U 319 2HO* U 319 21.784 24.614 18.707 471 H1* U 319 H1* U 319 20.251 25.792 20.027 472 H3 U 319 H3 U 319 19.133 27.613 23.955 473 H5 U 319 H5 U 319 18.351 23.549 24.596 474 H6 U 319 H6 U 319 19.230 23.126 22.346 475 1H5* G 320 1H5* G 320 23.006 21.430 17.959 476 2H5* G 320 2H5* G 320 22.585 20.109 16.868 477 H4* G 320 H4* G 320 24.594 18.873 17.934 478 H3* G 320 H3* G 320 24.921 21.528 19.177 479 H2* G 320 H2* G 320 27.183 21.795 18.526 480 2HO* G 320 2HO* G 320 26.842 19.134 17.474 481 H1* G 320 H1* G 320 26.807 21.277 15.876 482 H8 G 320 H8 G 320 23.537 22.666 16.593 483 H1 G 320 H1 G 320 28.119 27.234 16.744 484 1H2 G 320 1H2 G 320 29.978 26.344 16.799 485 2H2 G 320 2H2 G 320 30.254 24.617 16.804 486 1H5* G 321 1H5* G 321 28.739 19.512 19.814 487 2H5* G 321 2H5* G 321 28.947 19.559 21.565 488 H4* G 321 H4* G 321 30.927 20.401 20.490 489 H3* G 321 H3* G 321 29.295 22.373 22.049 490 H2* G 321 H2* G 321 30.861 24.098 21.585 491 2HO* G 321 2HO* G 321 32.875 23.319 21.384 492 H1* G 321 H1* G 321 30.962 23.406 18.828 493 H8 G 321 H8 G 321 27.422 23.391 19.665 494 H1 G 321 H1 G 321 29.752 29.417 19.273 495 1H2 G 321 1H2 G 321 31.813 29.358 19.255 496 2H2 G 321 2H2 G 321 32.768 27.894 19.333 497 1H5* U 322 1H5* U 322 32.977 22.293 24.510 498 2H5* U 322 2H5* U 322 32.556 22.850 26.130 499 H4* U 322 H4* U 322 33.919 24.448 24.774 500 H3* U 322 H3* U 322 31.283 25.247 25.974 501 H2* U 322 H2* U 322 31.546 27.445 25.167 502 2HO* U 322 2HO* U 322 33.825 27.326 25.793 503 H1* U 322 H1* U 322 32.611 26.470 22.661 504 H3 U 322 H3 U 322 29.073 29.030 21.392 505 H5 U 322 H5 U 322 27.327 25.598 23.037 506 H6 U 322 H6 U 322 29.570 24.921 23.758 507 1H5* G 323 1H5* G 323 33.996 27.965 28.389 508 2H5* G 323 2H5* G 323 33.485 27.626 30.041 509 H4* G 323 H4* G 323 33.235 29.930 29.827 510 H3* G 323 H3* G 323 30.617 28.509 29.550 511 H2* G 323 H2* G 323 29.471 30.575 29.235 512 2HO* G 323 2HO* G 323 32.108 31.596 29.773 513 H1* G 323 H1* G 323 31.291 31.437 27.268 514 H8 G 323 H8 G 323 30.577 27.812 26.826 515 H1 G 323 H1 G 323 26.023 31.644 24.283 516 1H2 G 323 1H2 G 323 26.333 33.586 24.902 517 2H2 G 323 2H2 G 323 27.633 34.100 25.953 518 1H5* G 324 1H5* G 324 27.334 29.488 32.462 519 2H5* G 324 2H5* G 324 26.865 28.428 31.133 520 H4* G 324 H4* G 324 27.392 30.856 29.886 521 H3* G 324 H3* G 324 26.528 31.415 32.649 522 H2* G 324 H2* G 324 24.651 32.705 32.054 523 2HO* G 324 2HO* G 324 25.062 33.863 30.267 524 H1* G 324 H1* G 324 23.540 30.997 30.284 525 H8 G 324 H8 G 324 25.168 28.407 32.146 526 H1 G 324 H1 G 324 20.540 31.192 35.711 527 1H2 G 324 1H2 G 324 19.970 32.968 34.833 528 2H2 G 324 2H2 G 324 20.647 33.608 33.352 529 1H5* A 325 1H5* A 325 26.442 35.102 31.256 530 2H5* A 325 2H5* A 325 27.522 36.243 32.056 531 H4* A 325 H4* A 325 25.417 37.197 32.299 532 H3* A 325 H3* A 325 26.261 35.785 34.800 533 H2* A 325 H2* A 325 24.230 36.337 35.876 534 2HO* A 325 2HO* A 325 23.548 37.791 33.497 535 H1* A 325 H1* A 325 22.582 35.546 33.810 536 H8 A 325 H8 A 325 25.477 33.247 33.671 537 1H6 A 325 1H6 A 325 22.734 29.911 38.176 538 2H6 A 325 2H6 A 325 24.038 29.916 37.010 539 H2 A 325 H2 A 325 20.541 33.753 37.760 540 1H5* A 326 1H5* A 326 26.925 39.905 36.984 541 2H5* A 326 2H5* A 326 27.604 39.120 38.408 542 H4* A 326 H4* A 326 25.139 40.048 38.382 543 H3* A 326 H3* A 326 26.258 37.661 39.778 544 H2* A 326 H2* A 326 24.105 37.017 40.574 545 2HO* A 326 2HO* A 326 22.349 38.526 40.116 546 H1* A 326 H1* A 326 22.934 37.107 38.065 547 H8 A 326 H8 A 326 26.106 35.875 36.999 548 1H6 A 326 1H6 A 326 24.806 30.314 39.517 549 2H6 A 326 2H6 A 326 25.883 31.160 38.428 550 H2 A 326 H2 A 326 21.879 33.268 41.084 551 1H5* C 327 1H5* C 327 23.782 39.365 42.688 552 2H5* C 327 2H5* C 327 24.604 39.438 44.246 553 H4* C 327 H4* C 327 22.525 38.173 44.384 554 H3* C 327 H3* C 327 25.106 36.740 44.916 555 H2* C 327 H2* C 327 23.912 34.754 45.464 556 2HO* C 327 2HO* C 327 22.226 36.215 46.393 557 H1* C 327 H1* C 327 22.371 34.801 43.157 558 1H4 C 327 1H4 C 327 27.633 31.372 41.818 559 2H4 C 327 2H4 C 327 28.272 32.794 41.021 560 H5 C 327 H5 C 327 27.232 34.913 41.081 561 H6 C 327 H6 C 327 25.305 36.204 41.929 562 1H5* U 328 1H5* U 328 22.599 35.721 48.277 563 2H5* U 328 2H5* U 328 23.569 35.956 49.732 564 H4* U 328 H4* U 328 22.590 33.715 49.620 565 H3* U 328 H3* U 328 25.591 33.959 49.570 566 H2* U 328 H2* U 328 25.764 31.594 49.712 567 2HO* U 328 2HO* U 328 23.865 30.437 50.287 568 H1* U 328 H1* U 328 23.858 31.161 47.697 569 H3 U 328 H3 U 328 28.212 30.037 46.433 570 H5 U 328 H5 U 328 27.467 33.911 45.029 571 H6 U 328 H6 U 328 25.434 33.912 46.400 572 1H5* G 329 1H5* G 329 25.738 31.962 53.483 573 2H5* G 329 2H5* G 329 27.174 32.727 54.163 574 H4* G 329 H4* G 329 27.372 30.283 53.545 575 H3* G 329 H3* G 329 29.318 32.382 52.646 576 H2* G 329 H2* G 329 30.634 30.741 51.559 577 2HO* G 329 2HO* G 329 30.468 28.687 52.338 578 H1* G 329 H1* G 329 28.300 29.491 50.455 579 H8 G 329 H8 G 329 28.050 33.078 49.785 580 H1 G 329 H1 G 329 32.248 30.159 45.818 581 1H2 G 329 1H2 G 329 32.662 28.267 46.525 582 2H2 G 329 2H2 G 329 31.974 27.574 47.976 583 1H5* U 330 1H5* U 330 31.914 33.978 53.388 584 2H5* U 330 2H5* U 330 31.747 32.719 52.165 585 H4* U 330 H4* U 330 34.056 34.025 52.756 586 H3* U 330 H3* U 330 33.571 31.335 51.489 587 H2* U 330 H2* U 330 35.866 30.942 51.407 588 2HO* U 330 2HO* U 330 37.230 32.954 51.697 589 H1* U 330 H1* U 330 36.252 32.508 53.872 590 H3 U 330 H3 U 330 38.435 29.054 55.657 591 H5 U 330 H5 U 330 35.181 27.173 53.810 592 H6 U 330 H6 U 330 34.472 29.385 53.028 593 1H5* G 331 1H5* G 331 36.586 31.437 48.794 594 2H5* G 331 2H5* G 331 35.638 31.001 47.372 595 H4* G 331 H4* G 331 37.243 29.254 48.122 596 H3* G 331 H3* G 331 34.322 28.701 47.807 597 H2* G 331 H2* G 331 34.602 26.445 48.487 598 2HO* G 331 2HO* G 331 36.685 26.458 47.323 599 H1* G 331 H1* G 331 36.157 27.130 50.728 600 H8 G 331 H8 G 331 33.249 29.437 50.068 601 H1 G 331 H1 G 331 31.792 24.307 53.733 602 1H2 G 331 1H2 G 331 33.391 23.005 53.763 603 2H2 G 331 2H2 G 331 34.902 23.265 52.920 604 1H5* A 332 1H5* A 332 35.902 26.723 43.647 605 2H5* A 332 2H5* A 332 34.391 26.000 43.093 606 H4* A 332 H4* A 332 36.223 24.514 44.180 607 H3* A 332 H3* A 332 33.262 24.345 44.651 608 H2* A 332 H2* A 332 33.593 22.466 46.078 609 2HO* A 332 2HO* A 332 36.404 22.679 45.740 610 H1* A 332 H1* A 332 35.563 23.727 47.588 611 H8 A 332 H8 A 332 32.892 26.130 46.481 612 1H6 A 332 1H6 A 332 29.843 24.585 51.702 613 2H6 A 332 2H6 A 332 29.855 25.682 50.340 614 H2 A 332 H2 A 332 33.323 21.857 51.267 615 1H5* A 333 1H5* A 333 31.803 20.005 44.269 616 2H5* A 333 2H5* A 333 31.175 20.655 42.755 617 H4* A 333 H4* A 333 29.548 20.137 44.703 618 H3* A 333 H3* A 333 29.499 22.564 42.936 619 H2* A 333 H2* A 333 27.545 23.347 44.048 620 2HO* A 333 2HO* A 333 26.927 21.014 44.242 621 H1* A 333 H1* A 333 28.620 23.049 46.585 622 H8 A 333 H8 A 333 31.350 24.028 44.238 623 1H6 A 333 1H6 A 333 29.663 29.953 45.233 624 2H6 A 333 2H6 A 333 30.883 28.929 44.508 625 H2 A 333 H2 A 333 26.596 27.308 47.061 626 1H5* G 334 1H5* G 334 25.105 20.787 43.459 627 2H5* G 334 2H5* G 334 24.238 21.822 42.323 628 H4* G 334 H4* G 334 23.997 21.974 45.004 629 H3* G 334 H3* G 334 23.559 24.021 42.858 630 H2* G 334 H2* G 334 23.065 25.675 44.494 631 2HO* G 334 2HO* G 334 22.259 23.584 45.736 632 H1* G 334 H1* G 334 25.332 25.195 45.996 633 H8 G 334 H8 G 334 26.784 24.569 42.783 634 H1 G 334 H1 G 334 25.260 30.829 43.397 635 1H2 G 334 1H2 G 334 23.994 31.075 45.006 636 2H2 G 334 2H2 G 334 23.430 29.778 46.037 637 1H5* U 335 1H5* U 335 20.462 24.502 45.575 638 2H5* U 335 2H5* U 335 18.909 24.756 44.776 639 H4* U 335 H4* U 335 19.501 26.579 46.316 640 H3* U 335 H3* U 335 19.086 27.145 43.405 641 H2* U 335 H2* U 335 19.491 29.460 43.741 642 2HO* U 335 2HO* U 335 18.443 29.641 45.725 643 H1* U 335 H1* U 335 21.827 29.045 45.215 644 H3 U 335 H3 U 335 22.616 30.742 40.942 645 H5 U 335 H5 U 335 23.101 26.587 40.733 646 H6 U 335 H6 U 335 22.124 26.460 42.977 647 1H5* U 336 1H5* U 336 15.906 29.612 45.262 648 2H5* U 336 2H5* U 336 14.557 29.699 44.130 649 H4* U 336 H4* U 336 15.534 31.893 44.507 650 H3* U 336 H3* U 336 15.682 30.716 41.757 651 H2* U 336 H2* U 336 16.787 32.640 40.930 652 2HO* U 336 2HO* U 336 16.817 33.930 43.420 653 H1* U 336 H1* U 336 18.593 32.745 43.097 654 H3 U 336 H3 U 336 21.034 31.743 39.353 655 H5 U 336 H5 U 336 19.436 28.087 40.623 656 H6 U 336 H6 U 336 18.077 29.351 42.226 657 1H5* C 337 1H5* C 337 15.128 34.589 40.918 658 2H5* C 337 2H5* C 337 13.417 34.740 40.521 659 H4* C 337 H4* C 337 14.232 35.969 38.816 660 H3* C 337 H3* C 337 14.320 33.141 37.829 661 H2* C 337 H2* C 337 15.332 33.830 35.800 662 2HO* C 337 2HO* C 337 14.802 35.852 35.188 663 H1* C 337 H1* C 337 17.285 35.378 36.998 664 1H4 C 337 1H4 C 337 20.114 29.680 36.753 665 2H4 C 337 2H4 C 337 19.058 29.080 38.012 666 H5 C 337 H5 C 337 17.296 30.335 38.961 667 H6 C 337 H6 C 337 16.103 32.496 38.935 668 1H5* G 338 1H5* G 338 13.229 35.137 34.189 669 2H5* G 338 2H5* G 338 12.012 34.062 33.500 670 H4* G 338 H4* G 338 13.981 34.296 32.058 671 H3* G 338 H3* G 338 13.298 31.587 33.160 672 H2* G 338 H2* G 338 15.086 30.614 31.975 673 2HO* G 338 2HO* G 338 14.468 32.051 30.156 674 H1* G 338 H1* G 338 16.779 32.896 32.575 675 H8 G 338 H8 G 338 15.337 31.385 35.626 676 H1 G 338 H1 G 338 20.561 28.218 33.492 677 1H2 G 338 1H2 G 338 21.046 28.884 31.602 678 2H2 G 338 2H2 G 338 20.168 30.117 30.725 679 1H5* G 339 1H5* G 339 14.555 30.080 29.977 680 2H5* G 339 2H5* G 339 13.335 28.955 29.385 681 H4* G 339 H4* G 339 15.568 28.014 30.231 682 H3* G 339 H3* G 339 12.849 26.943 30.870 683 H2* G 339 H2* G 339 13.658 25.832 32.682 684 2HO* G 339 2HO* G 339 14.590 24.110 31.749 685 H1* G 339 H1* G 339 16.424 26.934 31.995 686 H8 G 339 H8 G 339 17.850 26.926 34.064 687 H1 G 339 H1 G 339 12.733 26.417 37.992 688 1H2 G 339 1H2 G 339 10.998 26.497 36.879 689 2H2 G 339 2H2 G 339 10.940 26.676 35.140 690 1H5* A 340 1H5* A 340 14.659 26.835 26.693 691 2H5* A 340 2H5* A 340 16.291 27.305 26.221 692 H4* A 340 H4* A 340 14.098 28.895 26.032 693 H3* A 340 H3* A 340 17.028 29.516 26.159 694 H2* A 340 H2* A 340 16.560 31.854 26.168 695 2HO* A 340 2HO* A 340 13.776 31.224 26.161 696 H1* A 340 H1* A 340 14.662 31.586 28.234 697 H8 A 340 H8 A 340 17.283 29.391 29.379 698 1H6 A 340 1H6 A 340 20.635 34.377 31.067 699 2H6 A 340 2H6 A 340 20.504 32.639 31.219 700 H2 A 340 H2 A 340 17.291 35.758 28.488 701 1H5* A 341 1H5* A 341 15.367 32.524 23.920 702 2H5* A 341 2H5* A 341 16.213 32.601 22.375 703 H4* A 341 H4* A 341 16.200 34.778 23.389 704 H3* A 341 H3* A 341 18.885 33.420 23.289 705 H2* A 341 H2* A 341 19.900 35.392 24.125 706 2HO* A 341 2HO* A 341 18.813 37.284 23.778 707 H1* A 341 H1* A 341 18.020 35.745 26.165 708 H8 A 341 H8 A 341 18.929 32.141 25.506 709 1H6 A 341 1H6 A 341 23.403 32.891 29.794 710 2H6 A 341 2H6 A 341 22.590 31.716 28.783 711 H2 A 341 H2 A 341 21.570 36.858 28.988 712 1H5* C 342 1H5* C 342 19.306 36.731 21.732 713 2H5* C 342 2H5* C 342 20.035 37.119 20.174 714 H4* C 342 H4* C 342 21.253 38.268 21.867 715 H3* C 342 H3* C 342 22.678 36.014 20.531 716 H2* C 342 H2* C 342 24.614 36.321 21.884 717 2HO* C 342 2HO* C 342 24.681 38.503 22.162 718 H1* C 342 H1* C 342 23.163 36.307 24.269 719 1H4 C 342 1H4 C 342 25.109 30.282 23.183 720 2H4 C 342 2H4 C 342 23.497 29.947 22.589 721 H5 C 342 H5 C 342 21.845 31.602 22.264 722 H6 C 342 H6 C 342 21.326 34.010 22.430 723 1H5* A 343 1H5* A 343 25.563 39.134 20.489 724 2H5* A 343 2H5* A 343 26.344 39.196 18.909 725 H4* A 343 H4* A 343 27.979 38.861 20.667 726 H3* A 343 H3* A 343 27.588 36.623 18.701 727 H2* A 343 H2* A 343 29.359 35.408 19.715 728 2HO* A 343 2HO* A 343 30.855 36.845 20.365 729 H1* A 343 H1* A 343 28.407 35.756 22.305 730 H8 A 343 H8 A 343 25.506 35.384 19.992 731 1H6 A 343 1H6 A 343 26.166 29.213 20.639 732 2H6 A 343 2H6 A 343 25.126 30.468 20.005 733 H2 A 343 H2 A 343 29.682 31.190 22.503 734 1H5* C 344 1H5* C 344 31.827 37.825 17.819 735 2H5* C 344 2H5* C 344 32.089 37.440 16.117 736 H4* C 344 H4* C 344 33.556 36.139 17.560 737 H3* C 344 H3* C 344 31.502 34.667 15.938 738 H2* C 344 H2* C 344 32.380 32.587 16.699 739 2HO* C 344 2HO* C 344 34.287 34.253 18.074 740 H1* C 344 H1* C 344 32.349 33.391 19.388 741 1H4 C 344 1H4 C 344 26.851 30.237 18.621 742 2H4 C 344 2H4 C 344 26.138 31.670 17.916 743 H5 C 344 H5 C 344 27.342 33.650 17.458 744 H6 C 344 H6 C 344 29.548 34.753 17.565 745 1H5* C 345 1H5* C 345 35.350 32.705 14.097 746 2H5* C 345 2H5* C 345 34.552 31.723 12.869 747 H4* C 345 H4* C 345 35.606 30.697 15.092 748 H3* C 345 H3* C 345 33.215 29.766 13.517 749 H2* C 345 H2* C 345 32.987 27.920 15.003 750 2HO* C 345 2HO* C 345 35.398 27.905 15.110 751 H1* C 345 H1* C 345 33.191 29.549 17.285 752 1H4 C 345 1H4 C 345 26.947 28.648 16.021 753 2H4 C 345 2H4 C 345 26.936 30.271 15.367 754 H5 C 345 H5 C 345 28.879 31.576 15.054 755 H6 C 345 H6 C 345 31.336 31.647 15.294 756 1H5* C 346 1H5* C 346 34.644 26.348 14.169 757 2H5* C 346 2H5* C 346 35.045 25.471 12.693 758 H4* C 346 H4* C 346 33.560 24.095 13.895 759 H3* C 346 H3* C 346 32.130 25.504 11.633 760 H2* C 346 H2* C 346 30.244 24.163 12.070 761 2HO* C 346 2HO* C 346 30.930 22.150 12.506 762 H1* C 346 H1* C 346 30.711 24.358 14.928 763 1H4 C 346 1H4 C 346 25.341 27.630 13.672 764 2H4 C 346 2H4 C 346 26.332 29.049 13.419 765 H5 C 346 H5 C 346 28.693 29.017 13.385 766 H6 C 346 H6 C 346 30.705 27.600 13.590 767 1H5* G 347 1H5* G 347 32.798 21.187 10.409 768 2H5* G 347 2H5* G 347 32.629 20.971 8.667 769 H4* G 347 H4* G 347 31.005 19.661 9.992 770 H3* G 347 H3* G 347 30.014 21.701 8.015 771 H2* G 347 H2* G 347 27.784 20.956 8.398 772 2HO* G 347 2HO* G 347 28.689 18.746 8.629 773 H1* G 347 H1* G 347 28.094 21.058 11.196 774 H8 G 347 H8 G 347 29.757 24.090 10.152 775 H1 G 347 H1 G 347 23.346 24.574 9.411 776 1H2 G 347 1H2 G 347 22.493 22.703 9.557 777 2H2 G 347 2H2 G 347 23.382 21.223 9.837 778 1H5* G 348 1H5* G 348 28.521 18.237 5.636 779 2H5* G 348 2H5* G 348 28.270 18.995 4.063 780 H4* G 348 H4* G 348 26.250 18.441 5.639 781 H3* G 348 H3* G 348 26.577 20.930 3.961 782 H2* G 348 H2* G 348 24.362 21.545 4.552 783 2HO* G 348 2HO* G 348 23.008 19.919 5.313 784 H1* G 348 H1* G 348 24.811 20.849 7.286 785 H8 G 348 H8 G 348 27.697 22.842 6.467 786 H1 G 348 H1 G 348 22.388 26.522 6.846 787 1H2 G 348 1H2 G 348 20.714 25.320 6.829 788 2H2 G 348 2H2 G 348 20.743 23.573 6.727 789 1H5* C 349 1H5* C 349 22.706 20.892 3.213 790 2H5* C 349 2H5* C 349 22.649 20.697 1.461 791 H4* C 349 H4* C 349 21.564 22.736 1.963 792 H3* C 349 H3* C 349 24.300 23.104 0.777 793 H2* C 349 H2* C 349 24.042 25.442 0.821 794 2HO* C 349 2HO* C 349 21.336 24.985 1.664 795 H1* C 349 H1* C 349 22.711 25.308 3.396 796 1H4 C 349 1H4 C 349 28.358 28.120 4.473 797 2H4 C 349 2H4 C 349 29.092 26.535 4.563 798 H5 C 349 H5 C 349 27.947 24.524 4.087 799 H6 C 349 H6 C 349 25.792 23.531 3.401 800 1H5* C 350 1H5* C 350 21.703 24.393 -2.752 801 2H5* C 350 2H5* C 350 22.746 24.297 -4.170 802 H4* C 350 H4* C 350 22.080 26.613 -3.389 803 H3* C 350 H3* C 350 24.919 25.800 -3.934 804 H2* C 350 H2* C 350 25.658 28.005 -3.478 805 2HO* C 350 2HO* C 350 23.730 28.827 -4.568 806 H1* C 350 H1* C 350 23.979 28.170 -1.160 807 1H4 C 350 1H4 C 350 29.922 27.384 1.065 808 2H4 C 350 2H4 C 350 29.752 25.657 0.834 809 H5 C 350 H5 C 350 27.888 24.647 -0.207 810 H6 C 350 H6 C 350 25.707 25.048 -1.294 811 1H5* G 351 1H5* G 351 24.559 28.965 -6.896 812 2H5* G 351 2H5* G 351 24.847 28.197 -8.458 813 H4* G 351 H4* G 351 26.346 29.971 -8.420 814 H3* G 351 H3* G 351 27.704 27.393 -7.730 815 H2* G 351 H2* G 351 29.789 28.499 -7.471 816 2HO* G 351 2HO* G 351 28.249 30.739 -8.420 817 H1* G 351 H1* G 351 28.766 30.502 -5.830 818 H8 G 351 H8 G 351 27.283 27.028 -5.415 819 H1 G 351 H1 G 351 32.308 28.317 -1.546 820 1H2 G 351 1H2 G 351 33.124 30.139 -2.061 821 2H2 G 351 2H2 G 351 32.535 31.165 -3.349 822 1H5* C 352 1H5* C 352 29.930 29.081 -10.814 823 2H5* C 352 2H5* C 352 30.619 27.943 -11.972 824 H4* C 352 H4* C 352 32.376 29.157 -10.844 825 H3* C 352 H3* C 352 32.179 26.214 -10.294 826 H2* C 352 H2* C 352 34.116 26.311 -8.925 827 2HO* C 352 2HO* C 352 35.375 28.247 -9.026 828 H1* C 352 H1* C 352 33.183 28.626 -7.568 829 1H4 C 352 1H4 C 352 31.881 23.865 -3.531 830 2H4 C 352 2H4 C 352 30.544 23.368 -4.545 831 H5 C 352 H5 C 352 30.034 24.354 -6.629 832 H6 C 352 H6 C 352 30.687 26.079 -8.271 833 1H5* A 353 1H5* A 353 35.529 26.421 -13.553 834 2H5* A 353 2H5* A 353 35.522 24.860 -14.371 835 H4* A 353 H4* A 353 37.486 25.330 -12.854 836 H3* A 353 H3* A 353 35.815 22.838 -12.623 837 H2* A 353 H2* A 353 37.296 22.008 -10.965 838 2HO* A 353 2HO* A 353 38.785 24.377 -11.658 839 H1* A 353 H1* A 353 37.333 24.446 -9.551 840 H8 A 353 H8 A 353 34.121 23.002 -11.036 841 1H6 A 353 1H6 A 353 32.946 20.939 -5.264 842 2H6 A 353 2H6 A 353 32.299 21.062 -6.884 843 H2 A 353 H2 A 353 36.971 22.822 -5.276 844 1H5* A 354 1H5* A 354 39.878 21.912 -12.967 845 2H5* A 354 2H5* A 354 40.255 20.415 -13.818 846 H4* A 354 H4* A 354 41.178 20.314 -11.609 847 H3* A 354 H3* A 354 38.848 18.488 -12.120 848 H2* A 354 H2* A 354 39.091 17.555 -9.952 849 2HO* A 354 2HO* A 354 41.094 18.833 -8.852 850 H1* A 354 H1* A 354 39.346 20.092 -8.730 851 H8 A 354 H8 A 354 36.659 20.144 -11.303 852 1H6 A 354 1H6 A 354 32.793 18.004 -6.894 853 2H6 A 354 2H6 A 354 32.872 18.655 -8.516 854 H2 A 354 H2 A 354 36.944 17.802 -5.322 855 1H5* C 355 1H5* C 355 41.690 15.337 -10.929 856 2H5* C 355 2H5* C 355 41.426 14.118 -12.175 857 H4* C 355 H4* C 355 40.976 13.179 -10.004 858 H3* C 355 H3* C 355 38.565 13.559 -11.774 859 H2* C 355 H2* C 355 37.257 12.378 -10.181 860 2HO* C 355 2HO* C 355 39.092 10.928 -9.818 861 H1* C 355 H1* C 355 38.365 13.834 -8.013 862 1H4 C 355 1H4 C 355 32.700 16.565 -9.158 863 2H4 C 355 2H4 C 355 33.442 17.526 -10.416 864 H5 C 355 H5 C 355 35.677 17.258 -11.132 865 H6 C 355 H6 C 355 37.771 15.990 -10.811 866 1H5* C 356 1H5* C 356 39.574 9.351 -11.297 867 2H5* C 356 2H5* C 356 38.692 8.150 -12.241 868 H4* C 356 H4* C 356 38.085 8.136 -9.856 869 H3* C 356 H3* C 356 35.955 8.779 -11.888 870 H2* C 356 H2* C 356 34.329 8.719 -10.154 871 2HO* C 356 2HO* C 356 36.546 7.987 -8.470 872 H1* C 356 H1* C 356 35.894 10.332 -8.447 873 1H4 C 356 1H4 C 356 31.777 14.386 -11.169 874 2H4 C 356 2H4 C 356 32.800 14.453 -12.587 875 H5 C 356 H5 C 356 34.726 13.120 -12.885 876 H6 C 356 H6 C 356 36.160 11.375 -11.885 877 1H5* C 357 1H5* C 357 35.072 5.833 -9.682 878 2H5* C 357 2H5* C 357 35.086 4.121 -10.104 879 H4* C 357 H4* C 357 33.213 4.119 -8.845 880 H3* C 357 H3* C 357 32.321 4.815 -11.611 881 H2* C 357 H2* C 357 30.095 5.181 -10.890 882 2HO* C 357 2HO* C 357 30.149 4.753 -8.288 883 H1* C 357 H1* C 357 30.739 6.828 -8.787 884 1H4 C 357 1H4 C 357 30.281 10.762 -13.809 885 2H4 C 357 2H4 C 357 31.986 10.521 -14.118 886 H5 C 357 H5 C 357 33.333 8.982 -12.937 887 H6 C 357 H6 C 357 33.375 7.278 -11.151 888 1H5* U 358 1H5* U 358 28.895 3.265 -10.312 889 2H5* U 358 2H5* U 358 28.684 1.764 -11.212 890 H4* U 358 H4* U 358 26.688 2.883 -11.565 891 H3* U 358 H3* U 358 28.517 3.387 -13.908 892 H2* U 358 H2* U 358 26.743 4.523 -15.003 893 2HO* U 358 2HO* U 358 24.927 4.202 -12.907 894 H1* U 358 H1* U 358 26.067 5.994 -12.683 895 H3 U 358 H3 U 358 27.636 9.330 -15.272 896 H5 U 358 H5 U 358 31.053 7.038 -14.493 897 H6 U 358 H6 U 358 29.589 5.412 -13.383 898 1H5* G 359 1H5* G 359 24.892 1.866 -14.719 899 2H5* G 359 2H5* G 359 24.573 0.656 -15.962 900 H4* G 359 H4* G 359 23.087 2.433 -16.378 901 H3* G 359 H3* G 359 25.395 2.363 -18.293 902 H2* G 359 H2* G 359 24.528 4.231 -19.463 903 2HO* G 359 2HO* G 359 22.357 3.435 -19.235 904 H1* G 359 H1* G 359 23.954 5.626 -17.044 905 H8 G 359 H8 G 359 27.351 4.160 -16.897 906 H1 G 359 H1 G 359 27.141 9.700 -20.234 907 1H2 G 359 1H2 G 359 25.176 10.220 -20.583 908 2H2 G 359 2H2 G 359 23.792 9.293 -20.050 909 1H5* G 360 1H5* G 360 21.759 1.374 -20.156 910 2H5* G 360 2H5* G 360 21.572 0.259 -21.511 911 H4* G 360 H4* G 360 21.139 2.395 -22.382 912 H3* G 360 H3* G 360 23.928 1.490 -23.098 913 H2* G 360 H2* G 360 24.127 3.385 -24.505 914 2HO* G 360 2HO* G 360 22.242 4.251 -25.275 915 H1* G 360 H1* G 360 22.921 5.077 -22.531 916 H8 G 360 H8 G 360 25.624 2.880 -21.181 917 H1 G 360 H1 G 360 27.824 8.368 -23.812 918 1H2 G 360 1H2 G 360 26.291 9.314 -24.815 919 2H2 G 360 2H2 G 360 24.652 8.710 -24.927 920 1H5* G 361 1H5* G 361 21.356 1.075 -26.910 921 2H5* G 361 2H5* G 361 22.120 -0.106 -27.973 922 H4* G 361 H4* G 361 21.883 2.006 -29.113 923 H3* G 361 H3* G 361 24.662 1.069 -28.512 924 H2* G 361 H2* G 361 25.591 2.977 -29.589 925 2HO* G 361 2HO* G 361 22.815 3.491 -30.171 926 H1* G 361 H1* G 361 23.936 4.764 -28.198 927 H8 G 361 H8 G 361 25.052 1.983 -25.966 928 H1 G 361 H1 G 361 29.388 6.755 -26.518 929 1H2 G 361 1H2 G 361 28.810 8.041 -28.023 930 2H2 G 361 2H2 G 361 27.366 7.853 -28.993 931 1H5* A 362 1H5* A 362 23.630 1.202 -32.614 932 2H5* A 362 2H5* A 362 24.243 0.130 -33.873 933 H4* A 362 H4* A 362 24.930 2.305 -34.463 934 H3* A 362 H3* A 362 27.165 0.648 -33.328 935 H2* A 362 H2* A 362 28.697 2.413 -33.746 936 2HO* A 362 2HO* A 362 26.542 3.945 -34.824 937 H1* A 362 H1* A 362 27.088 4.369 -32.587 938 H8 A 362 H8 A 362 26.591 1.347 -30.537 939 1H6 A 362 1H6 A 362 31.905 2.749 -27.578 940 2H6 A 362 2H6 A 362 30.490 1.721 -27.540 941 H2 A 362 H2 A 362 31.578 5.357 -31.161 942 1H5* G 363 1H5* G 363 28.882 2.927 -36.453 943 2H5* G 363 2H5* G 363 30.086 1.888 -37.216 944 H4* G 363 H4* G 363 30.809 4.054 -35.955 945 H3* G 363 H3* G 363 32.194 1.390 -35.930 946 H2* G 363 H2* G 363 33.898 2.269 -34.534 947 2HO* G 363 2HO* G 363 34.182 4.308 -35.296 948 H1* G 363 H1* G 363 32.139 3.441 -32.731 949 H8 G 363 H8 G 363 30.443 0.346 -33.739 950 H1 G 363 H1 G 363 35.309 -0.758 -29.618 951 1H2 G 363 1H2 G 363 36.459 0.945 -29.439 952 2H2 G 363 2H2 G 363 36.151 2.448 -30.279 953 1H5* A 364 1H5* A 364 34.723 2.675 -40.930 954 2H5* A 364 2H5* A 364 35.666 1.791 -39.731 955 H4* A 364 H4* A 364 36.978 3.474 -40.974 956 H3* A 364 H3* A 364 36.926 3.225 -38.095 957 H2* A 364 H2* A 364 36.592 5.484 -37.736 958 2HO* A 364 2HO* A 364 39.186 5.488 -38.983 959 H1* A 364 H1* A 364 37.695 5.921 -40.567 960 H8 A 364 H8 A 364 35.295 7.226 -37.898 961 1H6 A 364 1H6 A 364 35.624 12.670 -40.933 962 2H6 A 364 2H6 A 364 34.976 11.873 -39.516 963 H2 A 364 H2 A 364 37.909 9.645 -43.250 964 1H5* G 365 1H5* G 365 39.797 1.335 -35.892 965 2H5* G 365 2H5* G 365 38.720 2.603 -35.306 966 H4* G 365 H4* G 365 41.224 2.100 -34.358 967 H3* G 365 H3* G 365 39.234 3.924 -33.737 968 H2* G 365 H2* G 365 40.078 5.689 -35.051 969 2HO* G 365 2HO* G 365 41.881 5.979 -32.894 970 H1* G 365 H1* G 365 42.869 4.670 -34.283 971 H8 G 365 H8 G 365 42.569 7.642 -34.831 972 H1 G 365 H1 G 365 44.151 5.643 -40.779 973 1H2 G 365 1H2 G 365 43.816 3.615 -40.937 974 2H2 G 365 2H2 G 365 43.198 2.605 -39.648 975 1H5* G 366 1H5* G 366 40.699 0.757 -29.076 976 2H5* G 366 2H5* G 366 39.695 2.200 -28.936 977 H4* G 366 H4* G 366 41.555 1.957 -27.249 978 H3* G 366 H3* G 366 40.645 4.319 -28.511 979 H2* G 366 H2* G 366 42.660 4.780 -29.598 980 2HO* G 366 2HO* G 366 43.047 5.360 -26.802 981 H1* G 366 H1* G 366 44.029 3.325 -27.268 982 H8 G 366 H8 G 366 44.263 3.578 -31.098 983 H1 G 366 H1 G 366 49.899 3.755 -27.922 984 1H2 G 366 1H2 G 366 49.551 3.618 -25.895 985 2H2 G 366 2H2 G 366 47.968 3.478 -25.163 986 1H5* U 367 1H5* U 367 40.724 6.892 -27.615 987 2H5* U 367 2H5* U 367 39.535 7.367 -26.402 988 H4* U 367 H4* U 367 39.477 8.160 -28.979 989 H3* U 367 H3* U 367 37.312 7.905 -26.927 990 H2* U 367 H2* U 367 35.655 8.486 -28.526 991 2HO* U 367 2HO* U 367 37.331 8.673 -30.709 992 H1* U 367 H1* U 367 36.485 6.659 -30.417 993 H3 U 367 H3 U 367 32.977 4.358 -28.813 994 H5 U 367 H5 U 367 35.663 4.324 -25.601 995 H6 U 367 H6 U 367 37.110 5.797 -26.924 996 1H5* C 368 1H5* C 368 36.797 11.456 -28.670 997 2H5* C 368 2H5* C 368 36.366 12.866 -27.702 998 H4* C 368 H4* C 368 34.631 12.376 -29.317 999 H3* C 368 H3* C 368 33.901 11.962 -26.420 1000 H2* C 368 H2* C 368 31.652 11.599 -27.078 1001 2HO* C 368 2HO* C 368 31.328 11.935 -29.513 1002 H1* C 368 H1* C 368 32.399 9.885 -29.202 1003 1H4 C 368 1H4 C 368 30.708 5.957 -24.458 1004 2H4 C 368 2H4 C 368 32.290 6.166 -23.740 1005 H5 C 368 H5 C 368 33.918 7.670 -24.557 1006 H6 C 368 H6 C 368 34.434 9.360 -26.281 1007 1H5* C 369 1H5* C 369 31.681 14.612 -28.023 1008 2H5* C 369 2H5* C 369 31.317 16.265 -27.526 1009 H4* C 369 H4* C 369 29.206 15.467 -27.535 1010 H3* C 369 H3* C 369 30.249 14.727 -24.809 1011 H2* C 369 H2* C 369 28.130 13.800 -24.275 1012 2HO* C 369 2HO* C 369 26.440 14.159 -25.976 1013 H1* C 369 H1* C 369 27.945 12.400 -26.709 1014 1H4 C 369 1H4 C 369 30.301 7.907 -22.876 1015 2H4 C 369 2H4 C 369 31.733 8.866 -22.578 1016 H5 C 369 H5 C 369 32.075 11.030 -23.460 1017 H6 C 369 H6 C 369 31.118 12.823 -24.862 1018 1H5* C 370 1H5* C 370 27.106 17.383 -24.764 1019 2H5* C 370 2H5* C 370 26.689 18.543 -23.504 1020 H4* C 370 H4* C 370 24.996 16.911 -23.475 1021 H3* C 370 H3* C 370 26.949 16.535 -21.212 1022 H2* C 370 H2* C 370 25.560 14.822 -20.336 1023 2HO* C 370 2HO* C 370 23.732 15.219 -22.481 1024 H1* C 370 H1* C 370 25.226 13.627 -22.892 1025 1H4 C 370 1H4 C 370 29.680 9.983 -20.160 1026 2H4 C 370 2H4 C 370 30.842 11.284 -20.289 1027 H5 C 370 H5 C 370 30.320 13.440 -21.099 1028 H6 C 370 H6 C 370 28.535 14.894 -21.992 1029 1H5* A 371 1H5* A 371 22.936 18.098 -19.424 1030 2H5* A 371 2H5* A 371 23.298 18.787 -17.842 1031 H4* A 371 H4* A 371 21.590 17.004 -17.774 1032 H3* A 371 H3* A 371 24.139 16.708 -16.214 1033 H2* A 371 H2* A 371 23.332 14.678 -15.267 1034 2HO* A 371 2HO* A 371 21.159 15.609 -15.217 1035 H1* A 371 H1* A 371 22.612 13.593 -17.726 1036 H8 A 371 H8 A 371 25.682 15.503 -18.403 1037 1H6 A 371 1H6 A 371 28.937 10.667 -16.174 1038 2H6 A 371 2H6 A 371 29.062 12.181 -17.041 1039 H2 A 371 H2 A 371 24.651 10.031 -15.188 1040 1H5* G 372 1H5* G 372 20.742 16.076 -13.211 1041 2H5* G 372 2H5* G 372 21.301 17.048 -11.850 1042 H4* G 372 H4* G 372 20.709 14.818 -11.118 1043 H3* G 372 H3* G 372 23.594 15.615 -10.930 1044 H2* G 372 H2* G 372 24.133 13.533 -9.917 1045 2HO* G 372 2HO* G 372 21.349 12.882 -10.127 1046 H1* G 372 H1* G 372 22.722 12.050 -11.847 1047 H8 G 372 H8 G 372 24.460 14.778 -13.623 1048 H1 G 372 H1 G 372 28.412 9.888 -12.088 1049 1H2 G 372 1H2 G 372 27.462 8.623 -10.767 1050 2H2 G 372 2H2 G 372 25.835 8.852 -10.165 1051 1H5* G 373 1H5* G 373 22.210 14.236 -7.654 1052 2H5* G 373 2H5* G 373 22.101 15.019 -6.078 1053 H4* G 373 H4* G 373 23.030 12.975 -5.556 1054 H3* G 373 H3* G 373 25.202 15.022 -5.826 1055 H2* G 373 H2* G 373 26.856 13.397 -5.326 1056 2HO* G 373 2HO* G 373 26.052 11.295 -4.600 1057 H1* G 373 H1* G 373 25.928 11.530 -7.141 1058 H8 G 373 H8 G 373 25.246 14.805 -8.706 1059 H1 G 373 H1 G 373 31.466 13.070 -9.154 1060 1H2 G 373 1H2 G 373 31.820 11.454 -7.923 1061 2H2 G 373 2H2 G 373 30.612 10.682 -6.919 1062 1H5* G 374 1H5* G 374 25.234 13.013 -2.432 1063 2H5* G 374 2H5* G 374 25.611 13.569 -0.802 1064 H4* G 374 H4* G 374 27.215 11.942 -1.218 1065 H3* G 374 H3* G 374 28.346 14.683 -1.671 1066 H2* G 374 H2* G 374 30.463 13.757 -2.210 1067 2HO* G 374 2HO* G 374 29.146 11.316 -1.428 1068 H1* G 374 H1* G 374 29.341 11.820 -3.937 1069 H8 G 374 H8 G 374 27.643 15.067 -4.486 1070 H1 G 374 H1 G 374 33.366 14.671 -7.484 1071 1H2 G 374 1H2 G 374 34.383 13.010 -6.808 1072 2H2 G 374 2H2 G 374 33.777 11.890 -5.608 1073 1H5* U 375 1H5* U 375 31.804 12.166 0.785 1074 2H5* U 375 2H5* U 375 31.919 13.482 1.955 1075 H4* U 375 H4* U 375 34.104 12.879 1.057 1076 H3* U 375 H3* U 375 33.036 15.628 0.540 1077 H2* U 375 H2* U 375 35.022 16.231 -0.620 1078 2HO* U 375 2HO* U 375 35.833 13.601 0.232 1079 H1* U 375 H1* U 375 34.982 13.865 -2.170 1080 H3 U 375 H3 U 375 34.124 16.903 -5.385 1081 H5 U 375 H5 U 375 30.681 17.030 -3.004 1082 H6 U 375 H6 U 375 31.813 15.501 -1.458 1083 1H5* U 376 1H5* U 376 37.021 16.278 2.202 1084 2H5* U 376 2H5* U 376 37.011 17.804 3.086 1085 H4* U 376 H4* U 376 38.584 17.741 1.162 1086 H3* U 376 H3* U 376 36.405 19.823 1.256 1087 H2* U 376 H2* U 376 37.375 20.870 -0.640 1088 2HO* U 376 2HO* U 376 39.472 19.578 -1.313 1089 H1* U 376 H1* U 376 37.701 18.413 -2.005 1090 H3 U 376 H3 U 376 34.622 20.815 -4.383 1091 H5 U 376 H5 U 376 32.460 19.131 -1.216 1092 H6 U 376 H6 U 376 34.603 18.413 -0.265 1093 2H ALA 1 HN ALA 1 66.726 17.045 -19.420 1094 HA ALA 1 HA ALA 1 66.700 18.104 -16.879 1095 1HB ALA 1 1HB ALA 1 65.731 15.485 -16.796 1096 2HB ALA 1 2HB ALA 1 67.443 15.322 -16.337 1097 3HB ALA 1 3HB ALA 1 66.377 16.413 -15.421 1098 H THR 2 HN THR 2 68.480 19.237 -17.681 1099 HA THR 2 HA THR 2 70.828 17.573 -18.318 1100 HB THR 2 HB THR 2 69.952 20.341 -19.295 1101 HG1 THR 2 HG1 THR 2 69.865 17.617 -20.079 1102 1HG2 THR 2 1HG2 THR 2 72.603 19.463 -19.010 1103 2HG2 THR 2 2HG2 THR 2 72.183 18.960 -20.666 1104 3HG2 THR 2 3HG2 THR 2 72.041 20.670 -20.191 1105 H VAL 3 HN VAL 3 70.525 17.642 -15.716 1106 HA VAL 3 HA VAL 3 72.770 19.063 -14.839 1107 HB VAL 3 HB VAL 3 71.206 20.970 -15.077 1108 1HG1 VAL 3 1HG1 VAL 3 69.384 19.177 -13.796 1109 2HG1 VAL 3 2HG1 VAL 3 69.604 20.594 -12.743 1110 3HG1 VAL 3 3HG1 VAL 3 69.079 20.811 -14.430 1111 1HG2 VAL 3 1HG2 VAL 3 71.502 20.888 -12.152 1112 2HG2 VAL 3 2HG2 VAL 3 72.973 20.417 -13.037 1113 3HG2 VAL 3 3HG2 VAL 3 72.214 21.997 -13.350 1114 H VAL 4 HN VAL 4 73.458 18.267 -12.822 1115 HA VAL 4 HA VAL 4 71.656 16.240 -11.685 1116 HB VAL 4 HB VAL 4 73.638 15.347 -12.843 1117 1HG1 VAL 4 1HG1 VAL 4 75.706 16.166 -12.602 1118 2HG1 VAL 4 2HG1 VAL 4 74.972 17.518 -11.707 1119 3HG1 VAL 4 3HG1 VAL 4 75.601 16.106 -10.826 1120 1HG2 VAL 4 1HG2 VAL 4 74.479 13.955 -10.936 1121 2HG2 VAL 4 2HG2 VAL 4 73.567 15.007 -9.828 1122 3HG2 VAL 4 3HG2 VAL 4 72.705 14.041 -11.049 1123 H SER 5 HN SER 5 70.712 17.119 -9.906 1124 HA SER 5 HA SER 5 72.540 18.358 -8.018 1125 1HB SER 5 2HB SER 5 70.987 20.145 -7.527 1126 2HB SER 5 3HB SER 5 71.241 20.127 -9.261 1127 HG SER 5 HG SER 5 68.911 19.665 -7.798 1128 H GLY 6 HN GLY 6 71.515 18.428 -5.735 1129 1HA GLY 6 1HA GLY 6 69.313 16.616 -5.267 1130 2HA GLY 6 2HA GLY 6 70.876 15.986 -4.787 1131 H GLN 7 HN GLN 7 68.605 16.680 -3.035 1132 HA GLN 7 HA GLN 7 69.942 18.777 -1.510 1133 1HB GLN 7 2HB GLN 7 67.755 19.553 -0.713 1134 2HB GLN 7 3HB GLN 7 67.802 19.600 -2.464 1135 1HG GLN 7 2HG GLN 7 66.856 17.036 -2.025 1136 2HG GLN 7 3HG GLN 7 66.166 17.887 -0.658 1137 1HE2 GLN 7 1HE2 GLN 7 64.852 16.734 -2.960 1138 2HE2 GLN 7 2HE2 GLN 7 63.974 17.995 -3.760 1139 H LYS 8 HN LYS 8 69.812 18.549 0.855 1140 HA LYS 8 HA LYS 8 69.942 15.793 1.615 1141 1HB LYS 8 2HB LYS 8 71.573 17.344 2.484 1142 2HB LYS 8 3HB LYS 8 70.324 18.383 3.139 1143 1HG LYS 8 2HG LYS 8 70.887 17.165 5.048 1144 2HG LYS 8 3HG LYS 8 69.567 16.189 4.438 1145 1HD LYS 8 2HD LYS 8 71.699 15.099 3.058 1146 2HD LYS 8 3HD LYS 8 72.482 15.576 4.550 1147 1HE LYS 8 2HE LYS 8 71.678 13.319 4.878 1148 2HE LYS 8 3HE LYS 8 70.641 14.365 5.829 1149 1HZ LYS 8 1HZ LYS 8 69.205 13.011 4.667 1150 2HZ LYS 8 2HZ LYS 8 69.184 14.378 3.775 1151 3HZ LYS 8 3HZ LYS 8 70.046 13.087 3.270 1152 H GLN 9 HN GLN 9 67.928 14.814 1.495 1153 HA GLN 9 HA GLN 9 66.061 15.794 3.479 1154 1HB GLN 9 2HB GLN 9 65.476 15.384 0.537 1155 2HB GLN 9 3HB GLN 9 64.205 15.138 1.717 1156 1HG GLN 9 2HG GLN 9 65.879 17.683 1.673 1157 2HG GLN 9 3HG GLN 9 64.434 17.513 0.697 1158 1HE2 GLN 9 1HE2 GLN 9 64.476 19.487 2.466 1159 2HE2 GLN 9 2HE2 GLN 9 63.448 19.186 3.828 1160 H ASP 10 HN ASP 10 64.202 14.033 3.748 1161 HA ASP 10 HA ASP 10 64.918 11.418 2.973 1162 1HB ASP 10 2HB ASP 10 65.153 10.580 5.375 1163 2HB ASP 10 3HB ASP 10 66.521 11.485 4.758 1164 H ARG 11 HN ARG 11 62.921 10.375 2.809 1165 HA ARG 11 HA ARG 11 61.034 10.437 4.823 1166 1HB ARG 11 2HB ARG 11 59.219 11.753 3.730 1167 2HB ARG 11 3HB ARG 11 60.601 12.765 4.096 1168 1HG ARG 11 2HG ARG 11 61.041 11.653 1.480 1169 2HG ARG 11 3HG ARG 11 59.387 12.233 1.520 1170 1HD ARG 11 2HD ARG 11 61.639 13.974 2.584 1171 2HD ARG 11 3HD ARG 11 61.317 13.907 0.863 1172 HE ARG 11 HE ARG 11 58.832 14.431 1.715 1173 1HH1 ARG 11 2HH2 ARG 11 61.863 15.779 2.889 1174 2HH1 ARG 11 1HH2 ARG 11 61.154 17.281 3.377 1175 1HH2 ARG 11 2HH1 ARG 11 57.895 16.413 2.359 1176 2HH2 ARG 11 1HH1 ARG 11 58.881 17.644 3.074 1177 H GLN 12 HN GLN 12 59.472 8.789 4.438 1178 HA GLN 12 HA GLN 12 59.568 7.660 1.748 1179 1HB GLN 12 2HB GLN 12 60.823 6.339 3.559 1180 2HB GLN 12 3HB GLN 12 59.269 6.034 4.305 1181 1HG GLN 12 2HG GLN 12 59.556 4.138 2.930 1182 2HG GLN 12 3HG GLN 12 58.524 5.163 1.952 1183 1HE2 GLN 12 1HE2 GLN 12 59.736 3.370 0.565 1184 2HE2 GLN 12 2HE2 GLN 12 61.100 3.955 -0.329 1185 H GLY 13 HN GLY 13 57.710 7.923 4.848 1186 1HA GLY 13 1HA GLY 13 55.385 8.880 4.087 1187 2HA GLY 13 2HA GLY 13 55.236 7.261 3.434 1188 H GLY 14 HN GLY 14 53.372 7.136 5.003 1189 1HA GLY 14 1HA GLY 14 53.177 5.508 6.856 1190 2HA GLY 14 2HA GLY 14 54.339 6.490 7.726 1191 H GLU 15 HN GLU 15 52.104 6.158 9.117 1192 HA GLU 15 HA GLU 15 50.155 6.983 9.784 1193 1HB GLU 15 2HB GLU 15 50.450 9.424 10.538 1194 2HB GLU 15 3HB GLU 15 51.638 8.275 11.121 1195 1HG GLU 15 2HG GLU 15 52.140 9.814 8.553 1196 2HG GLU 15 3HG GLU 15 52.454 10.566 10.104 1197 H ARG 16 HN ARG 16 48.647 6.725 8.081 1198 HA ARG 16 HA ARG 16 48.596 8.537 5.939 1199 1HB ARG 16 2HB ARG 16 46.452 7.385 5.353 1200 2HB ARG 16 3HB ARG 16 47.727 6.237 5.709 1201 1HG ARG 16 2HG ARG 16 46.717 6.471 8.209 1202 2HG ARG 16 3HG ARG 16 45.275 6.915 7.319 1203 1HD ARG 16 2HD ARG 16 45.715 4.767 5.893 1204 2HD ARG 16 3HD ARG 16 46.834 4.306 7.160 1205 HE ARG 16 HE ARG 16 44.547 4.966 8.569 1206 1HH1 ARG 16 2HH2 ARG 16 45.198 2.802 5.872 1207 2HH1 ARG 16 1HH2 ARG 16 43.928 1.699 6.283 1208 1HH2 ARG 16 2HH1 ARG 16 42.871 3.511 9.113 1209 2HH2 ARG 16 1HH1 ARG 16 42.595 2.105 8.140 1210 H ARG 17 HN ARG 17 48.645 10.462 7.612 1211 HA ARG 17 HA ARG 17 45.998 11.486 7.663 1212 1HB ARG 17 2HB ARG 17 46.278 10.157 9.862 1213 2HB ARG 17 3HB ARG 17 47.494 11.332 10.323 1214 1HG ARG 17 2HG ARG 17 45.946 13.026 10.651 1215 2HG ARG 17 3HG ARG 17 44.897 12.471 9.362 1216 1HD ARG 17 2HD ARG 17 43.747 12.089 11.475 1217 2HD ARG 17 3HD ARG 17 44.196 10.525 10.823 1218 HE ARG 17 HE ARG 17 46.346 11.356 12.467 1219 1HH1 ARG 17 2HH2 ARG 17 42.944 10.535 12.836 1220 2HH1 ARG 17 1HH2 ARG 17 43.124 9.979 14.465 1221 1HH2 ARG 17 2HH1 ARG 17 46.583 10.621 14.618 1222 2HH2 ARG 17 1HH1 ARG 17 45.207 10.028 15.486 1223 H ARG 18 HN ARG 18 47.785 12.539 6.068 1224 HA ARG 18 HA ARG 18 49.235 14.113 5.613 1225 1HB ARG 18 2HB ARG 18 47.334 15.557 7.522 1226 2HB ARG 18 3HB ARG 18 48.513 16.412 6.546 1227 1HG ARG 18 2HG ARG 18 47.122 16.338 4.760 1228 2HG ARG 18 3HG ARG 18 47.128 14.586 4.804 1229 1HD ARG 18 2HD ARG 18 45.403 14.984 6.839 1230 2HD ARG 18 3HD ARG 18 45.145 16.509 6.017 1231 HE ARG 18 HE ARG 18 44.158 15.366 4.200 1232 1HH1 ARG 18 2HH2 ARG 18 45.643 13.077 6.422 1233 2HH1 ARG 18 1HH2 ARG 18 44.911 11.691 5.687 1234 1HH2 ARG 18 2HH1 ARG 18 43.191 13.537 3.229 1235 2HH2 ARG 18 1HH1 ARG 18 43.506 11.954 3.859 1236 H SER 19 HN SER 19 50.228 12.429 7.736 1237 HA SER 19 HA SER 19 51.811 12.322 9.214 1238 1HB SER 19 2HB SER 19 53.196 13.629 7.731 1239 2HB SER 19 3HB SER 19 52.411 15.124 8.194 1240 HG SER 19 HG SER 19 54.310 13.550 9.651 1241 H GLN 20 HN GLN 20 50.346 15.649 9.383 1242 HA GLN 20 HA GLN 20 49.014 15.274 11.702 1243 1HB GLN 20 2HB GLN 20 51.367 14.885 12.648 1244 2HB GLN 20 3HB GLN 20 51.688 16.582 12.348 1245 1HG GLN 20 2HG GLN 20 49.531 17.065 13.721 1246 2HG GLN 20 3HG GLN 20 49.605 15.388 14.221 1247 1HE2 GLN 20 1HE2 GLN 20 51.278 14.646 15.507 1248 2HE2 GLN 20 2HE2 GLN 20 52.320 15.697 16.409 1249 H LEU 21 HN LEU 21 48.651 16.607 9.259 1250 HA LEU 21 HA LEU 21 49.272 19.216 9.027 1251 1HB LEU 21 2HB LEU 21 47.470 17.439 7.886 1252 2HB LEU 21 3HB LEU 21 46.453 18.740 8.474 1253 HG LEU 21 HG LEU 21 48.755 18.949 6.519 1254 1HD1 LEU 21 1HD1 LEU 21 46.655 18.095 5.588 1255 2HD1 LEU 21 2HD1 LEU 21 45.796 19.526 6.206 1256 3HD1 LEU 21 3HD1 LEU 21 47.047 19.711 4.954 1257 1HD2 LEU 21 1HD2 LEU 21 48.382 20.860 8.324 1258 2HD2 LEU 21 2HD2 LEU 21 48.774 21.226 6.627 1259 3HD2 LEU 21 3HD2 LEU 21 47.091 21.331 7.193 1260 H ASP 22 HN ASP 22 49.501 20.503 10.833 1261 HA ASP 22 HA ASP 22 47.480 20.482 12.826 1262 1HB ASP 22 2HB ASP 22 50.169 21.209 12.707 1263 2HB ASP 22 3HB ASP 22 49.374 22.770 12.771 1264 H ARG 23 HN ARG 23 46.233 22.494 13.436 1265 HA ARG 23 HA ARG 23 45.135 23.682 11.155 1266 1HB ARG 23 2HB ARG 23 44.834 24.200 14.146 1267 2HB ARG 23 3HB ARG 23 43.955 25.149 12.964 1268 1HG ARG 23 2HG ARG 23 43.814 22.115 13.299 1269 2HG ARG 23 3HG ARG 23 42.567 23.261 13.748 1270 1HD ARG 23 2HD ARG 23 43.153 23.837 11.024 1271 2HD ARG 23 3HD ARG 23 43.129 22.088 11.126 1272 HE ARG 23 HE ARG 23 40.879 23.348 12.516 1273 1HH1 ARG 23 2HH2 ARG 23 42.044 22.149 9.419 1274 2HH1 ARG 23 1HH2 ARG 23 40.457 21.901 8.773 1275 1HH2 ARG 23 2HH1 ARG 23 38.784 23.021 11.664 1276 2HH2 ARG 23 1HH1 ARG 23 38.590 22.401 10.059 1277 H ASP 24 HN ASP 24 48.101 24.204 12.499 1278 HA ASP 24 HA ASP 24 48.052 26.986 11.665 1279 1HB ASP 24 2HB ASP 24 49.460 25.855 14.130 1280 2HB ASP 24 3HB ASP 24 49.722 27.473 13.510 1281 H GLN 25 HN GLN 25 48.889 24.215 10.567 1282 HA GLN 25 HA GLN 25 51.718 24.836 10.214 1283 1HB GLN 25 2HB GLN 25 50.688 22.523 11.289 1284 2HB GLN 25 3HB GLN 25 50.794 22.072 9.599 1285 1HG GLN 25 2HG GLN 25 53.055 21.891 9.706 1286 2HG GLN 25 3HG GLN 25 53.214 23.497 10.390 1287 1HE2 GLN 25 1HE2 GLN 25 54.319 20.679 10.929 1288 2HE2 GLN 25 2HE2 GLN 25 54.211 20.486 12.647 1289 H CYS 26 HN CYS 26 52.566 24.833 8.084 1290 HA CYS 26 HA CYS 26 50.669 25.392 6.073 1291 1HB CYS 26 2HB CYS 26 52.897 26.470 6.192 1292 2HB CYS 26 3HB CYS 26 53.661 24.936 5.829 1293 H ALA 27 HN ALA 27 49.774 24.006 4.547 1294 HA ALA 27 HA ALA 27 50.524 21.200 4.782 1295 1HB ALA 27 1HB ALA 27 48.116 22.165 4.932 1296 2HB ALA 27 2HB ALA 27 48.233 22.339 3.164 1297 3HB ALA 27 3HB ALA 27 48.384 20.731 3.912 1298 H TYR 28 HN TYR 28 52.300 23.209 3.476 1299 HA TYR 28 HA TYR 28 52.299 21.988 0.803 1300 1HB TYR 28 2HB TYR 28 51.526 24.484 1.065 1301 2HB TYR 28 3HB TYR 28 53.152 24.831 1.620 1302 HD1 TYR 28 HD1 TYR 28 51.058 24.059 -1.279 1303 HD2 TYR 28 HD2 TYR 28 55.070 24.703 0.062 1304 HE1 TYR 28 HE1 TYR 28 51.819 24.375 -3.685 1305 HE2 TYR 28 HE2 TYR 28 55.816 25.018 -2.347 1306 HH TYR 28 HH TYR 28 54.286 23.994 -4.855 1307 H CYS 29 HN CYS 29 54.328 24.053 3.014 1308 HA CYS 29 HA CYS 29 56.634 22.527 2.117 1309 1HB CYS 29 2HB CYS 29 57.967 24.294 3.196 1310 2HB CYS 29 3HB CYS 29 56.862 24.943 2.002 1311 H LYS 30 HN LYS 30 54.285 22.743 4.646 1312 HA LYS 30 HA LYS 30 54.022 21.507 6.474 1313 1HB LYS 30 2HB LYS 30 56.185 20.131 5.162 1314 2HB LYS 30 3HB LYS 30 56.474 20.139 6.889 1315 1HG LYS 30 2HG LYS 30 54.967 18.455 7.078 1316 2HG LYS 30 3HG LYS 30 53.711 19.607 6.667 1317 1HD LYS 30 2HD LYS 30 54.974 18.871 4.201 1318 2HD LYS 30 3HD LYS 30 54.723 17.382 5.093 1319 1HE LYS 30 2HE LYS 30 52.511 19.454 4.756 1320 2HE LYS 30 3HE LYS 30 52.779 18.183 3.579 1321 1HZ LYS 30 1HZ LYS 30 51.467 18.006 6.017 1322 2HZ LYS 30 2HZ LYS 30 51.670 16.837 4.894 1323 3HZ LYS 30 3HZ LYS 30 52.768 17.021 6.089 1324 H GLU 31 HN GLU 31 55.307 24.224 6.210 1325 HA GLU 31 HA GLU 31 57.015 24.229 8.536 1326 1HB GLU 31 2HB GLU 31 56.251 26.399 6.539 1327 2HB GLU 31 3HB GLU 31 57.270 26.696 7.934 1328 1HG GLU 31 2HG GLU 31 58.960 25.133 7.138 1329 2HG GLU 31 3HG GLU 31 57.900 24.533 5.878 1330 H LYS 32 HN LYS 32 56.254 24.687 10.559 1331 HA LYS 32 HA LYS 32 53.490 25.408 10.831 1332 1HB LYS 32 2HB LYS 32 53.823 24.988 13.174 1333 2HB LYS 32 3HB LYS 32 54.581 23.702 12.257 1334 1HG LYS 32 2HG LYS 32 56.721 25.346 12.438 1335 2HG LYS 32 3HG LYS 32 55.863 25.906 13.860 1336 1HD LYS 32 2HD LYS 32 56.933 24.164 14.898 1337 2HD LYS 32 3HD LYS 32 55.629 23.205 14.228 1338 1HE LYS 32 2HE LYS 32 56.964 22.435 12.400 1339 2HE LYS 32 3HE LYS 32 58.141 23.718 12.598 1340 1HZ LYS 32 1HZ LYS 32 59.209 22.059 13.642 1341 2HZ LYS 32 2HZ LYS 32 58.355 22.575 14.935 1342 3HZ LYS 32 3HZ LYS 32 57.855 21.267 14.094 1343 H GLY 33 HN GLY 33 52.669 27.423 11.072 1344 1HA GLY 33 1HA GLY 33 53.283 29.503 12.488 1345 2HA GLY 33 2HA GLY 33 54.596 29.627 11.332 1346 H HIS 34 HN HIS 34 53.418 28.840 8.916 1347 HA HIS 34 HA HIS 34 51.303 30.850 8.637 1348 1HB HIS 34 2HB HIS 34 52.147 31.362 6.442 1349 2HB HIS 34 3HB HIS 34 53.434 31.539 7.617 1350 HD1 HIS 34 HD1 HIS 34 55.414 29.821 7.524 1351 HD2 HIS 34 HD2 HIS 34 52.511 29.302 4.541 1352 HE1 HIS 34 HE1 HIS 34 56.433 28.238 5.802 1353 H TRP 35 HN TRP 35 49.989 30.394 6.483 1354 HA TRP 35 HA TRP 35 49.278 27.552 6.608 1355 1HB TRP 35 2HB TRP 35 47.753 30.072 6.227 1356 2HB TRP 35 3HB TRP 35 47.216 28.677 5.312 1357 HD1 TRP 35 HD1 TRP 35 48.287 29.103 9.065 1358 HE1 TRP 35 HE1 TRP 35 46.540 27.926 10.653 1359 HE3 TRP 35 HE3 TRP 35 45.215 27.482 5.351 1360 HZ2 TRP 35 HZ2 TRP 35 44.123 26.480 10.189 1361 HZ3 TRP 35 HZ3 TRP 35 43.182 26.195 6.005 1362 HH2 TRP 35 HH2 TRP 35 42.616 25.689 8.328 1363 H ALA 36 HN ALA 36 48.475 26.663 4.412 1364 HA ALA 36 HA ALA 36 50.541 26.840 2.561 1365 1HB ALA 36 1HB ALA 36 48.806 25.648 1.079 1366 2HB ALA 36 2HB ALA 36 49.212 24.870 2.627 1367 3HB ALA 36 3HB ALA 36 47.696 25.789 2.463 1368 H LYS 37 HN LYS 37 47.398 28.556 2.835 1369 HA LYS 37 HA LYS 37 47.574 29.756 0.279 1370 1HB LYS 37 2HB LYS 37 45.891 30.157 2.737 1371 2HB LYS 37 3HB LYS 37 45.844 31.346 1.452 1372 1HG LYS 37 2HG LYS 37 44.154 29.883 0.759 1373 2HG LYS 37 3HG LYS 37 45.523 29.252 -0.134 1374 1HD LYS 37 2HD LYS 37 45.913 27.541 1.634 1375 2HD LYS 37 3HD LYS 37 44.583 28.190 2.573 1376 1HE LYS 37 2HE LYS 37 43.272 26.685 1.473 1377 2HE LYS 37 3HE LYS 37 43.377 27.770 0.101 1378 1HZ LYS 37 1HZ LYS 37 44.500 26.225 -0.957 1379 2HZ LYS 37 2HZ LYS 37 45.682 26.226 0.170 1380 3HZ LYS 37 3HZ LYS 37 44.410 25.216 0.324 1381 H ASP 38 HN ASP 38 49.488 30.092 3.031 1382 HA ASP 38 HA ASP 38 50.196 32.786 2.174 1383 1HB ASP 38 2HB ASP 38 49.118 32.213 4.623 1384 2HB ASP 38 3HB ASP 38 50.810 31.935 4.984 1385 H CYS 39 HN CYS 39 51.139 29.932 1.506 1386 HA CYS 39 HA CYS 39 53.589 29.530 2.841 1387 1HB CYS 39 2HB CYS 39 52.238 27.743 1.700 1388 2HB CYS 39 3HB CYS 39 52.724 28.414 0.155 1389 HA PRO 40 HA PRO 40 55.858 32.462 0.516 1390 1HB PRO 40 2HB PRO 40 58.362 31.881 1.440 1391 2HB PRO 40 3HB PRO 40 57.240 32.918 2.300 1392 1HG PRO 40 2HG PRO 40 58.015 30.128 2.896 1393 2HG PRO 40 3HG PRO 40 57.250 31.303 3.946 1394 1HD PRO 40 2HD PRO 40 55.980 29.096 2.627 1395 2HD PRO 40 3HD PRO 40 55.195 30.336 3.583 1396 H LYS 41 HN LYS 41 55.674 29.283 -0.073 1397 HA LYS 41 HA LYS 41 57.790 29.308 -2.070 1398 1HB LYS 41 2HB LYS 41 56.324 27.265 -0.546 1399 2HB LYS 41 3HB LYS 41 56.519 26.864 -2.240 1400 1HG LYS 41 2HG LYS 41 58.802 26.635 -2.069 1401 2HG LYS 41 3HG LYS 41 58.964 27.997 -0.978 1402 1HD LYS 41 2HD LYS 41 59.003 26.630 0.835 1403 2HD LYS 41 3HD LYS 41 57.501 25.863 0.358 1404 1HE LYS 41 2HE LYS 41 58.589 24.155 -0.849 1405 2HE LYS 41 3HE LYS 41 60.024 25.119 -1.132 1406 1HZ LYS 41 1HZ LYS 41 60.098 23.300 0.619 1407 2HZ LYS 41 2HZ LYS 41 60.765 24.742 0.996 1408 3HZ LYS 41 3HZ LYS 41 59.295 24.343 1.586 1409 H LYS 42 HN LYS 42 54.354 29.823 -1.693 1410 HA LYS 42 HA LYS 42 53.330 29.011 -4.079 1411 1HB LYS 42 2HB LYS 42 52.721 31.251 -2.189 1412 2HB LYS 42 3HB LYS 42 51.912 31.236 -3.743 1413 1HG LYS 42 2HG LYS 42 51.979 28.604 -2.333 1414 2HG LYS 42 3HG LYS 42 51.039 29.847 -1.532 1415 1HD LYS 42 2HD LYS 42 50.177 30.200 -4.112 1416 2HD LYS 42 3HD LYS 42 50.549 28.487 -4.153 1417 1HE LYS 42 2HE LYS 42 49.184 28.341 -1.919 1418 2HE LYS 42 3HE LYS 42 48.581 29.931 -2.339 1419 1HZ LYS 42 1HZ LYS 42 47.403 27.794 -3.164 1420 2HZ LYS 42 2HZ LYS 42 47.476 29.115 -4.122 1421 3HZ LYS 42 3HZ LYS 42 48.497 27.865 -4.373 1422 HA PRO 43 HA PRO 43 55.877 31.424 -6.739 1423 1HB PRO 43 2HB PRO 43 55.486 29.919 -8.986 1424 2HB PRO 43 3HB PRO 43 56.751 29.589 -7.820 1425 1HG PRO 43 2HG PRO 43 54.201 28.154 -8.246 1426 2HG PRO 43 3HG PRO 43 55.641 27.610 -7.407 1427 1HD PRO 43 2HD PRO 43 53.202 28.531 -6.210 1428 2HD PRO 43 3HD PRO 43 54.681 28.097 -5.376 1429 H ARG 44 HN ARG 44 55.626 32.715 -8.743 1430 HA ARG 44 HA ARG 44 53.166 32.889 -9.934 1431 1HB ARG 44 2HB ARG 44 52.365 33.708 -7.712 1432 2HB ARG 44 3HB ARG 44 53.576 34.975 -7.731 1433 1HG ARG 44 2HG ARG 44 52.507 35.729 -9.985 1434 2HG ARG 44 3HG ARG 44 51.172 34.671 -9.573 1435 1HD ARG 44 2HD ARG 44 50.314 36.412 -8.382 1436 2HD ARG 44 3HD ARG 44 51.575 36.113 -7.202 1437 HE ARG 44 HE ARG 44 52.669 37.702 -9.322 1438 1HH1 ARG 44 2HH2 ARG 44 50.403 37.957 -6.643 1439 2HH1 ARG 44 1HH2 ARG 44 50.648 39.658 -6.430 1440 1HH2 ARG 44 2HH1 ARG 44 52.994 39.946 -9.042 1441 2HH2 ARG 44 1HH1 ARG 44 52.132 40.797 -7.804 1442 H GLY 45 HN GLY 45 54.846 33.013 -11.628 1443 1HA GLY 45 1HA GLY 45 56.247 34.066 -13.041 1444 2HA GLY 45 2HA GLY 45 55.269 35.484 -12.720 1445 HA PRO 46 HA PRO 46 56.559 36.481 -13.837 1446 1HB PRO 46 2HB PRO 46 58.774 37.490 -15.079 1447 2HB PRO 46 3HB PRO 46 57.666 38.477 -14.148 1448 1HG PRO 46 2HG PRO 46 60.368 37.530 -13.413 1449 2HG PRO 46 3HG PRO 46 59.432 38.834 -12.709 1450 1HD PRO 46 2HD PRO 46 59.836 36.221 -11.600 1451 2HD PRO 46 3HD PRO 46 58.809 37.485 -10.956 1452 H ARG 47 HN ARG 47 59.730 34.982 -13.532 1453 HA ARG 47 HA ARG 47 58.899 32.655 -14.700 1454 1HB ARG 47 2HB ARG 47 58.880 34.380 -16.730 1455 2HB ARG 47 3HB ARG 47 60.618 34.152 -16.705 1456 1HG ARG 47 2HG ARG 47 59.863 31.543 -16.603 1457 2HG ARG 47 3HG ARG 47 58.451 32.194 -17.413 1458 1HD ARG 47 2HD ARG 47 59.599 32.598 -19.359 1459 2HD ARG 47 3HD ARG 47 60.996 33.239 -18.518 1460 HE ARG 47 HE ARG 47 61.946 31.072 -18.436 1461 1HH1 ARG 47 2HH2 ARG 47 58.634 30.924 -19.617 1462 2HH1 ARG 47 1HH2 ARG 47 58.762 29.282 -20.150 1463 1HH2 ARG 47 2HH1 ARG 47 62.116 28.905 -19.141 1464 2HH2 ARG 47 1HH1 ARG 47 60.756 28.126 -19.878 1465 H GLY 48 HN GLY 48 60.723 31.100 -14.911 1466 1HA GLY 48 1HA GLY 48 63.178 32.116 -13.607 1467 2HA GLY 48 2HA GLY 48 62.496 30.521 -13.360 1468 HA PRO 49 HA PRO 49 64.526 30.725 -17.667 1469 1HB PRO 49 2HB PRO 49 66.382 32.686 -18.086 1470 2HB PRO 49 3HB PRO 49 64.722 32.806 -18.633 1471 1HG PRO 49 2HG PRO 49 66.023 34.160 -16.350 1472 2HG PRO 49 3HG PRO 49 64.526 34.572 -17.163 1473 1HD PRO 49 2HD PRO 49 64.797 33.269 -14.622 1474 2HD PRO 49 3HD PRO 49 63.305 33.577 -15.488 1475 H ARG 50 HN ARG 50 66.388 29.620 -18.431 1476 HA ARG 50 HA ARG 50 68.731 29.699 -16.983 1477 1HB ARG 50 2HB ARG 50 68.637 27.469 -15.836 1478 2HB ARG 50 3HB ARG 50 67.485 28.603 -15.162 1479 1HG ARG 50 2HG ARG 50 65.675 27.380 -15.854 1480 2HG ARG 50 3HG ARG 50 66.380 27.039 -17.423 1481 1HD ARG 50 2HD ARG 50 67.806 25.266 -16.437 1482 2HD ARG 50 3HD ARG 50 67.215 25.647 -14.832 1483 HE ARG 50 HE ARG 50 65.111 24.982 -16.787 1484 1HH1 ARG 50 2HH2 ARG 50 67.276 23.775 -14.288 1485 2HH1 ARG 50 1HH2 ARG 50 66.329 22.360 -13.972 1486 1HH2 ARG 50 2HH1 ARG 50 63.861 23.115 -16.371 1487 2HH2 ARG 50 1HH1 ARG 50 64.374 21.981 -15.165 1488 HA PRO 51 HA PRO 51 68.534 27.458 -20.984 1489 1HB PRO 51 2HB PRO 51 69.879 29.261 -22.535 1490 2HB PRO 51 3HB PRO 51 68.131 29.196 -22.438 1491 1HG PRO 51 2HG PRO 51 69.985 31.148 -21.216 1492 2HG PRO 51 3HG PRO 51 68.260 31.295 -21.490 1493 1HD PRO 51 2HD PRO 51 69.561 30.743 -18.993 1494 2HD PRO 51 3HD PRO 51 67.834 30.776 -19.291 1495 H GLN 52 HN GLN 52 70.168 26.306 -22.179 1496 HA GLN 52 HA GLN 52 72.840 26.803 -21.641 1497 1HB GLN 52 2HB GLN 52 72.015 25.953 -19.343 1498 2HB GLN 52 3HB GLN 52 71.822 24.384 -20.102 1499 1HG GLN 52 2HG GLN 52 74.005 24.180 -19.316 1500 2HG GLN 52 3HG GLN 52 74.323 24.797 -20.925 1501 1HE2 GLN 52 1HE2 GLN 52 75.426 26.606 -21.163 1502 2HE2 GLN 52 2HE2 GLN 52 75.858 27.727 -19.914 1503 H THR 53 HN THR 53 73.564 26.195 -23.636 1504 HA THR 53 HA THR 53 73.357 23.469 -24.439 1505 HB THR 53 HB THR 53 71.079 24.278 -25.077 1506 HG1 THR 53 HG1 THR 53 72.656 22.880 -26.446 1507 1HG2 THR 53 1HG2 THR 53 71.221 26.600 -25.572 1508 2HG2 THR 53 2HG2 THR 53 72.737 26.403 -26.481 1509 3HG2 THR 53 3HG2 THR 53 71.197 25.868 -27.194 1510 H SER 54 HN SER 54 74.999 22.907 -25.804 1511 HA SER 54 HA SER 54 76.176 24.559 -27.620 1512 1HB SER 54 2HB SER 54 77.157 24.996 -24.851 1513 2HB SER 54 3HB SER 54 78.430 24.694 -26.017 1514 HG SER 54 HG SER 54 77.060 26.984 -25.613 1515 H LEU 55 HN LEU 55 76.799 22.908 -28.964 1516 HA LEU 55 HA LEU 55 78.711 20.997 -27.981 1517 1HB LEU 55 2HB LEU 55 76.132 20.268 -27.639 1518 2HB LEU 55 3HB LEU 55 76.389 19.700 -29.277 1519 HG LEU 55 HG LEU 55 78.552 18.598 -28.244 1520 1HD1 LEU 55 1HD1 LEU 55 78.635 18.208 -25.997 1521 2HD1 LEU 55 2HD1 LEU 55 77.857 19.809 -25.993 1522 3HD1 LEU 55 3HD1 LEU 55 76.872 18.341 -25.791 1523 1HD2 LEU 55 1HD2 LEU 55 76.116 17.133 -27.403 1524 2HD2 LEU 55 2HD2 LEU 55 76.182 17.656 -29.103 1525 3HD2 LEU 55 3HD2 LEU 55 77.471 16.624 -28.438 1526 H LEU 56 HN LEU 56 79.641 19.708 -29.801 1527 HA LEU 56 HA LEU 56 79.017 20.810 -32.423 1528 1HB LEU 56 2HB LEU 56 80.903 22.084 -31.166 1529 2HB LEU 56 3HB LEU 56 81.876 20.673 -31.531 1530 HG LEU 56 HG LEU 56 82.295 22.335 -33.197 1531 1HD1 LEU 56 1HD1 LEU 56 81.533 21.153 -35.283 1532 2HD1 LEU 56 2HD1 LEU 56 82.355 20.128 -34.083 1533 3HD1 LEU 56 3HD1 LEU 56 80.582 20.068 -34.239 1534 1HD2 LEU 56 1HD2 LEU 56 80.204 22.897 -34.741 1535 2HD2 LEU 56 2HD2 LEU 56 79.327 22.619 -33.217 1536 3HD2 LEU 56 3HD2 LEU 56 80.604 23.857 -33.297 Start of MODEL 13 1 1H5* G 276 1H5* G 276 44.450 3.510 -8.408 2 2H5* G 276 2H5* G 276 45.293 1.962 -8.353 3 H4* G 276 H4* G 276 46.224 3.285 -10.115 4 H3* G 276 H3* G 276 47.993 2.857 -7.734 5 H2* G 276 H2* G 276 49.754 4.061 -8.777 6 2HO* G 276 2HO* G 276 47.894 3.988 -10.972 7 H1* G 276 H1* G 276 48.103 6.205 -9.505 8 H8 G 276 H8 G 276 47.046 5.103 -6.138 9 H1 G 276 H1 G 276 52.400 8.736 -6.021 10 1H2 G 276 1H2 G 276 53.121 8.963 -7.939 11 2H2 G 276 2H2 G 276 52.386 8.271 -9.367 12 1H5* G 277 1H5* G 277 50.484 2.389 -10.955 13 2H5* G 277 2H5* G 277 51.444 0.921 -10.779 14 H4* G 277 H4* G 277 52.928 2.770 -11.066 15 H3* G 277 H3* G 277 52.891 1.686 -8.246 16 H2* G 277 H2* G 277 54.737 3.077 -7.748 17 2HO* G 277 2HO* G 277 55.227 4.294 -10.072 18 H1* G 277 H1* G 277 53.603 5.280 -9.175 19 H8 G 277 H8 G 277 51.101 3.710 -6.931 20 H1 G 277 H1 G 277 55.045 7.812 -3.850 21 1H2 G 277 1H2 G 277 56.611 8.325 -5.090 22 2H2 G 277 2H2 G 277 56.823 7.733 -6.722 23 1H5* C 278 1H5* C 278 56.700 1.045 -9.924 24 2H5* C 278 2H5* C 278 57.637 -0.313 -9.301 25 H4* C 278 H4* C 278 58.790 1.762 -8.869 26 H3* C 278 H3* C 278 57.724 0.318 -6.449 27 H2* C 278 H2* C 278 58.840 1.885 -5.056 28 2HO* C 278 2HO* C 278 59.876 2.816 -7.578 29 H1* C 278 H1* C 278 57.920 4.096 -6.531 30 1H4 C 278 1H4 C 278 53.875 3.517 -1.610 31 2H4 C 278 2H4 C 278 52.918 2.407 -2.565 32 H5 C 278 H5 C 278 53.566 1.607 -4.692 33 H6 C 278 H6 C 278 55.307 1.676 -6.441 34 1H5* G 279 1H5* G 279 61.998 0.529 -6.174 35 2H5* G 279 2H5* G 279 62.754 -0.836 -5.352 36 H4* G 279 H4* G 279 63.332 1.179 -4.199 37 H3* G 279 H3* G 279 61.384 -0.579 -2.708 38 H2* G 279 H2* G 279 61.635 0.834 -0.816 39 2HO* G 279 2HO* G 279 63.639 2.079 -2.473 40 H1* G 279 H1* G 279 61.401 3.179 -2.412 41 H8 G 279 H8 G 279 58.790 0.766 -3.413 42 H1 G 279 H1 G 279 57.273 3.993 1.988 43 1H2 G 279 1H2 G 279 58.935 5.003 2.677 44 2H2 G 279 2H2 G 279 60.505 4.979 1.905 45 1H5* G 280 1H5* G 280 65.233 -0.941 0.195 46 2H5* G 280 2H5* G 280 64.756 -2.497 0.872 47 H4* G 280 H4* G 280 65.058 -0.562 2.492 48 H3* G 280 H3* G 280 62.629 -2.332 2.436 49 H2* G 280 H2* G 280 61.759 -1.206 4.336 50 2HO* G 280 2HO* G 280 64.029 -1.075 5.120 51 H1* G 280 H1* G 280 62.215 1.340 3.299 52 H8 G 280 H8 G 280 61.209 -0.658 0.391 53 H1 G 280 H1 G 280 56.185 0.854 4.179 54 1H2 G 280 1H2 G 280 56.875 1.592 5.977 55 2H2 G 280 2H2 G 280 58.563 1.774 6.396 56 1H5* U 281 1H5* U 281 63.440 -2.490 6.364 57 2H5* U 281 2H5* U 281 63.767 -4.147 6.869 58 H4* U 281 H4* U 281 62.086 -3.337 8.306 59 H3* U 281 H3* U 281 60.940 -5.163 6.193 60 H2* U 281 H2* U 281 58.863 -5.084 7.323 61 2HO* U 281 2HO* U 281 59.090 -3.743 9.459 62 H1* U 281 H1* U 281 59.062 -2.274 7.754 63 H3 U 281 H3 U 281 55.385 -2.818 5.113 64 H5 U 281 H5 U 281 58.631 -3.227 2.498 65 H6 U 281 H6 U 281 60.093 -3.206 4.467 66 2HO* AP7 282 2HO* A 282 55.689 -7.112 10.502 67 H2* AP7 282 H2* A 282 55.681 -8.511 8.130 68 H3* AP7 282 H3* A 282 57.970 -9.106 8.095 69 H4* AP7 282 H4* A 282 58.351 -7.651 10.708 70 H1* AP7 282 H1* A 282 56.271 -5.842 8.959 71 H8 AP7 282 H8 A 282 58.342 -7.203 6.123 72 H2 AP7 282 H2 A 282 52.558 -4.417 6.483 73 H1 AP7 282 H1 A 282 52.841 -4.367 4.244 74 1H6 AP7 282 1H6 A 282 54.034 -4.786 2.308 75 2H6 AP7 282 2H6 A 282 55.604 -5.556 2.367 76 2H5* AP7 282 2H5* A 282 60.218 -8.987 9.810 77 1H5* AP7 282 1H5* A 282 60.601 -7.274 9.975 78 1H5* C 283 1H5* C 283 55.227 -11.203 10.831 79 2H5* C 283 2H5* C 283 54.784 -12.760 10.133 80 H4* C 283 H4* C 283 52.924 -11.118 10.226 81 H3* C 283 H3* C 283 53.777 -12.346 7.627 82 H2* C 283 H2* C 283 52.042 -11.206 6.480 83 2HO* C 283 2HO* C 283 50.646 -11.559 8.363 84 H1* C 283 H1* C 283 52.639 -8.748 7.775 85 1H4 C 283 1H4 C 283 55.244 -8.452 1.924 86 2H4 C 283 2H4 C 283 56.731 -9.066 2.614 87 H5 C 283 H5 C 283 56.935 -9.820 4.843 88 H6 C 283 H6 C 283 55.750 -10.172 6.981 89 1H5* U 284 1H5* U 284 49.601 -13.161 7.789 90 2H5* U 284 2H5* U 284 49.354 -14.902 7.651 91 H4* U 284 H4* U 284 47.932 -13.934 6.057 92 H3* U 284 H3* U 284 50.410 -15.084 4.804 93 H2* U 284 H2* U 284 49.559 -14.557 2.644 94 2HO* U 284 2HO* U 284 47.257 -13.319 3.662 95 H1* U 284 H1* U 284 48.935 -11.927 3.334 96 H3 U 284 H3 U 284 52.566 -11.508 0.637 97 H5 U 284 H5 U 284 54.158 -12.733 4.312 98 H6 U 284 H6 U 284 51.855 -13.068 5.086 99 1H5* A 285 1H5* A 285 46.974 -16.831 2.396 100 2H5* A 285 2H5* A 285 47.587 -18.440 2.013 101 H4* A 285 H4* A 285 46.971 -16.961 0.057 102 H3* A 285 H3* A 285 49.643 -18.325 0.288 103 H2* A 285 H2* A 285 50.207 -17.559 -1.888 104 2HO* A 285 2HO* A 285 48.455 -16.553 -3.112 105 H1* A 285 H1* A 285 49.378 -14.930 -1.372 106 H8 A 285 H8 A 285 51.011 -16.059 1.717 107 1H6 A 285 1H6 A 285 56.508 -14.808 -0.960 108 2H6 A 285 2H6 A 285 55.726 -15.201 0.554 109 H2 A 285 H2 A 285 53.363 -14.635 -4.095 110 1H5* G 286 1H5* G 286 48.018 -19.892 -3.629 111 2H5* G 286 2H5* G 286 48.702 -21.514 -3.733 112 H4* G 286 H4* G 286 49.319 -19.999 -5.613 113 H3* G 286 H3* G 286 51.471 -21.259 -3.915 114 H2* G 286 H2* G 286 53.093 -20.429 -5.432 115 2HO* G 286 2HO* G 286 51.615 -20.940 -7.209 116 H1* G 286 H1* G 286 51.882 -17.872 -5.549 117 H8 G 286 H8 G 286 51.916 -18.957 -2.025 118 H1 G 286 H1 G 286 57.673 -16.761 -4.007 119 1H2 G 286 1H2 G 286 57.666 -16.565 -6.060 120 2H2 G 286 2H2 G 286 56.303 -16.941 -7.091 121 1H5* U 287 1H5* U 287 51.917 -22.839 -7.934 122 2H5* U 287 2H5* U 287 52.736 -24.401 -7.959 123 H4* U 287 H4* U 287 53.996 -22.666 -9.144 124 H3* U 287 H3* U 287 55.254 -23.898 -6.696 125 H2* U 287 H2* U 287 57.267 -22.746 -7.197 126 2HO* U 287 2HO* U 287 55.888 -21.861 -9.563 127 H1* U 287 H1* U 287 55.913 -20.317 -7.724 128 H3 U 287 H3 U 287 58.442 -19.581 -3.991 129 H5 U 287 H5 U 287 55.041 -21.590 -2.601 130 H6 U 287 H6 U 287 54.425 -21.962 -4.945 131 1H5* U 288 1H5* U 288 57.863 -24.359 -9.475 132 2H5* U 288 2H5* U 288 58.563 -25.948 -9.777 133 H4* U 288 H4* U 288 60.424 -24.658 -9.345 134 H3* U 288 H3* U 288 59.602 -25.978 -6.758 135 H2* U 288 H2* U 288 61.563 -25.112 -5.750 136 2HO* U 288 2HO* U 288 62.344 -23.948 -8.223 137 H1* U 288 H1* U 288 61.202 -22.558 -6.953 138 H3 U 288 H3 U 288 60.851 -21.786 -2.479 139 H5 U 288 H5 U 288 57.183 -23.511 -3.531 140 H6 U 288 H6 U 288 58.138 -23.952 -5.745 141 1H5* G 289 1H5* G 289 63.212 -27.068 -7.129 142 2H5* G 289 2H5* G 289 63.714 -28.727 -6.801 143 H4* G 289 H4* G 289 64.786 -27.457 -5.167 144 H3* G 289 H3* G 289 62.288 -28.692 -4.001 145 H2* G 289 H2* G 289 62.964 -27.915 -1.874 146 2HO* G 289 2HO* G 289 65.255 -26.832 -2.045 147 H1* G 289 H1* G 289 63.801 -25.392 -2.953 148 H8 G 289 H8 G 289 60.388 -26.704 -3.909 149 H1 G 289 H1 G 289 60.440 -23.000 1.398 150 1H2 G 289 1H2 G 289 62.388 -22.596 1.937 151 2H2 G 289 2H2 G 289 63.798 -23.174 1.079 152 1H5* A 290 1H5* A 290 61.499 -31.696 -1.734 153 2H5* A 290 2H5* A 290 61.887 -29.977 -1.660 154 H4* A 290 H4* A 290 61.696 -31.561 0.500 155 H3* A 290 H3* A 290 63.218 -29.037 0.021 156 H2* A 290 H2* A 290 64.310 -29.192 2.116 157 2HO* A 290 2HO* A 290 63.470 -30.740 3.624 158 H1* A 290 H1* A 290 65.118 -31.801 1.831 159 H8 A 290 H8 A 290 64.827 -29.717 -1.351 160 1H6 A 290 1H6 A 290 70.955 -28.728 -0.711 161 2H6 A 290 2H6 A 290 69.578 -28.455 -1.753 162 H2 A 290 H2 A 290 69.535 -30.993 2.837 163 1H5* G 291 1H5* G 291 62.870 -28.659 4.187 164 2H5* G 291 2H5* G 291 62.253 -27.015 4.358 165 H4* G 291 H4* G 291 64.468 -27.369 5.407 166 H3* G 291 H3* G 291 64.058 -25.283 3.303 167 H2* G 291 H2* G 291 66.331 -24.611 3.432 168 2HO* G 291 2HO* G 291 66.262 -24.984 5.766 169 H1* G 291 H1* G 291 67.337 -27.195 3.230 170 H8 G 291 H8 G 291 64.206 -26.154 1.293 171 H1 G 291 H1 G 291 69.734 -25.957 -2.067 172 1H2 G 291 1H2 G 291 71.314 -26.398 -0.819 173 2H2 G 291 2H2 G 291 71.165 -26.768 0.884 174 1H5* A 292 1H5* A 292 62.726 -21.404 7.486 175 2H5* A 292 2H5* A 292 62.696 -21.456 5.724 176 H4* A 292 H4* A 292 64.988 -21.440 7.597 177 H3* A 292 H3* A 292 64.370 -20.279 4.887 178 H2* A 292 H2* A 292 66.700 -19.975 4.517 179 2HO* A 292 2HO* A 292 67.990 -19.891 6.315 180 H1* A 292 H1* A 292 67.301 -22.594 5.416 181 H8 A 292 H8 A 292 64.326 -21.982 3.118 182 1H6 A 292 1H6 A 292 68.162 -23.599 -1.532 183 2H6 A 292 2H6 A 292 66.508 -23.182 -1.138 184 H2 A 292 H2 A 292 70.525 -23.438 2.226 185 1H5* A 293 1H5* A 293 67.705 -17.877 4.890 186 2H5* A 293 2H5* A 293 66.937 -16.444 4.206 187 H4* A 293 H4* A 293 68.479 -17.785 2.692 188 H3* A 293 H3* A 293 65.711 -16.913 1.922 189 H2* A 293 H2* A 293 66.009 -17.827 -0.247 190 2HO* A 293 2HO* A 293 68.684 -18.248 0.737 191 H1* A 293 H1* A 293 66.973 -20.269 0.667 192 H8 A 293 H8 A 293 64.441 -19.315 3.150 193 1H6 A 293 1H6 A 293 60.073 -21.390 -0.797 194 2H6 A 293 2H6 A 293 60.363 -20.856 0.843 195 H2 A 293 H2 A 293 63.937 -21.185 -2.982 196 1H5* A 294 1H5* A 294 68.379 -16.483 -1.669 197 2H5* A 294 2H5* A 294 68.166 -14.760 -1.976 198 H4* A 294 H4* A 294 67.862 -15.916 -4.034 199 H3* A 294 H3* A 294 65.368 -14.766 -2.839 200 H2* A 294 H2* A 294 64.071 -15.545 -4.668 201 2HO* A 294 2HO* A 294 65.295 -15.425 -6.460 202 H1* A 294 H1* A 294 65.203 -18.125 -4.577 203 H8 A 294 H8 A 294 64.516 -16.772 -1.156 204 1H6 A 294 1H6 A 294 58.773 -19.148 -1.725 205 2H6 A 294 2H6 A 294 59.894 -18.402 -0.608 206 H2 A 294 H2 A 294 60.806 -19.467 -5.664 207 1H5* C 295 1H5* C 295 65.718 -13.493 -6.609 208 2H5* C 295 2H5* C 295 65.194 -11.893 -7.129 209 H4* C 295 H4* C 295 63.824 -13.489 -8.230 210 H3* C 295 H3* C 295 62.379 -12.074 -5.987 211 H2* C 295 H2* C 295 60.370 -13.092 -6.713 212 2HO* C 295 2HO* C 295 61.557 -14.433 -8.861 213 H1* C 295 H1* C 295 61.662 -15.609 -7.117 214 1H4 C 295 1H4 C 295 58.418 -16.286 -1.658 215 2H4 C 295 2H4 C 295 59.687 -15.429 -0.812 216 H5 C 295 H5 C 295 61.534 -14.421 -1.885 217 H6 C 295 H6 C 295 62.630 -13.982 -4.054 218 1H5* U 296 1H5* U 296 60.483 -10.909 -9.596 219 2H5* U 296 2H5* U 296 59.606 -9.380 -9.530 220 H4* U 296 H4* U 296 58.091 -11.252 -9.862 221 H3* U 296 H3* U 296 57.851 -9.776 -7.240 222 H2* U 296 H2* U 296 55.925 -11.040 -6.742 223 2HO* U 296 2HO* U 296 56.214 -11.848 -9.492 224 H1* U 296 H1* U 296 57.117 -13.434 -7.828 225 H3 U 296 H3 U 296 55.950 -14.387 -3.499 226 H5 U 296 H5 U 296 59.540 -12.249 -3.221 227 H6 U 296 H6 U 296 59.332 -11.781 -5.620 228 1H5* A 297 1H5* A 297 54.105 -9.245 -9.711 229 2H5* A 297 2H5* A 297 53.276 -7.770 -9.216 230 H4* A 297 H4* A 297 51.836 -9.747 -9.069 231 H3* A 297 H3* A 297 52.445 -8.158 -6.609 232 H2* A 297 H2* A 297 51.083 -9.588 -5.277 233 2HO* A 297 2HO* A 297 49.635 -9.805 -7.165 234 H1* A 297 H1* A 297 52.296 -11.917 -6.280 235 H8 A 297 H8 A 297 55.025 -9.505 -5.837 236 1H6 A 297 1H6 A 297 55.062 -10.945 0.236 237 2H6 A 297 2H6 A 297 55.940 -10.116 -1.030 238 H2 A 297 H2 A 297 51.405 -12.692 -1.586 239 1H5* G 298 1H5* G 298 48.138 -8.947 -6.164 240 2H5* G 298 2H5* G 298 47.494 -7.307 -6.082 241 H4* G 298 H4* G 298 46.612 -8.501 -4.236 242 H3* G 298 H3* G 298 48.714 -6.493 -3.525 243 H2* G 298 H2* G 298 48.497 -7.010 -1.213 244 2HO* G 298 2HO* G 298 46.602 -9.035 -1.729 245 H1* G 298 H1* G 298 48.644 -9.792 -1.696 246 H8 G 298 H8 G 298 51.189 -8.219 -3.826 247 H1 G 298 H1 G 298 53.040 -8.565 2.365 248 1H2 G 298 1H2 G 298 51.420 -9.059 3.542 249 2H2 G 298 2H2 G 298 49.802 -9.339 2.940 250 1H5* C 299 1H5* C 299 46.207 -6.097 -0.836 251 2H5* C 299 2H5* C 299 45.539 -4.510 -0.452 252 H4* C 299 H4* C 299 46.568 -5.430 1.509 253 H3* C 299 H3* C 299 47.962 -3.069 0.286 254 H2* C 299 H2* C 299 49.570 -3.079 2.011 255 2HO* C 299 2HO* C 299 47.784 -5.041 3.136 256 H1* C 299 H1* C 299 49.763 -5.948 1.940 257 1H4 C 299 1H4 C 299 55.152 -3.702 -0.693 258 2H4 C 299 2H4 C 299 54.328 -3.652 -2.235 259 H5 C 299 H5 C 299 52.024 -4.090 -2.510 260 H6 C 299 H6 C 299 49.921 -4.688 -1.362 261 1H5* U 300 1H5* U 300 47.028 -3.073 4.448 262 2H5* U 300 2H5* U 300 46.376 -1.562 5.080 263 H4* U 300 H4* U 300 47.937 -2.254 6.673 264 H3* U 300 H3* U 300 49.072 -0.103 4.904 265 H2* U 300 H2* U 300 51.062 -0.089 6.187 266 2HO* U 300 2HO* U 300 49.532 -1.878 7.849 267 H1* U 300 H1* U 300 51.356 -2.855 6.205 268 H3 U 300 H3 U 300 54.570 -1.778 3.241 269 H5 U 300 H5 U 300 51.035 -0.927 1.164 270 H6 U 300 H6 U 300 49.815 -1.432 3.230 271 1H5* C 301 1H5* C 301 48.762 1.788 8.871 272 2H5* C 301 2H5* C 301 48.980 3.535 8.776 273 H4* C 301 H4* C 301 50.912 2.348 9.757 274 H3* C 301 H3* C 301 51.250 4.019 7.289 275 H2* C 301 H2* C 301 53.571 3.578 7.257 276 2HO* C 301 2HO* C 301 52.978 2.365 9.803 277 H1* C 301 H1* C 301 53.157 0.806 7.855 278 1H4 C 301 1H4 C 301 54.667 1.026 1.646 279 2H4 C 301 2H4 C 301 52.996 1.387 1.278 280 H5 C 301 H5 C 301 51.346 1.789 2.920 281 H6 C 301 H6 C 301 50.890 1.943 5.341 282 1H5* U 302 1H5* U 302 53.955 5.021 9.406 283 2H5* U 302 2H5* U 302 54.307 6.639 10.014 284 H4* U 302 H4* U 302 56.222 6.362 8.875 285 H3* U 302 H3* U 302 54.296 7.245 6.738 286 H2* U 302 H2* U 302 56.055 7.140 5.139 287 2HO* U 302 2HO* U 302 57.550 7.947 6.779 288 H1* U 302 H1* U 302 56.880 4.590 6.014 289 H3 U 302 H3 U 302 55.160 3.250 2.101 290 H5 U 302 H5 U 302 51.834 4.890 4.045 291 H6 U 302 H6 U 302 53.343 5.546 5.863 292 1H5* G 303 1H5* G 303 57.457 9.897 6.738 293 2H5* G 303 2H5* G 303 57.198 11.548 6.175 294 H4* G 303 H4* G 303 58.593 10.502 4.583 295 H3* G 303 H3* G 303 55.746 10.705 3.590 296 H2* G 303 H2* G 303 56.491 9.968 1.476 297 2HO* G 303 2HO* G 303 58.374 11.371 1.703 298 H1* G 303 H1* G 303 58.273 8.055 2.712 299 H8 G 303 H8 G 303 54.726 7.874 3.866 300 H1 G 303 H1 G 303 55.859 4.499 -1.538 301 1H2 G 303 1H2 G 303 57.738 4.955 -2.254 302 2H2 G 303 2H2 G 303 58.842 6.085 -1.502 303 1H5* U 304 1H5* U 304 58.517 13.340 1.913 304 2H5* U 304 2H5* U 304 58.221 14.755 0.904 305 H4* U 304 H4* U 304 59.149 12.992 -0.439 306 H3* U 304 H3* U 304 56.248 13.610 -0.990 307 H2* U 304 H2* U 304 56.340 12.158 -2.862 308 2HO* U 304 2HO* U 304 58.529 12.990 -3.290 309 H1* U 304 H1* U 304 57.726 10.154 -1.410 310 H3 U 304 H3 U 304 53.675 8.334 -2.459 311 H5 U 304 H5 U 304 52.904 10.822 0.821 312 H6 U 304 H6 U 304 55.197 11.661 0.597 313 1H5* A 305 1H5* A 305 58.766 17.162 -3.471 314 2H5* A 305 2H5* A 305 57.445 18.114 -4.148 315 H4* A 305 H4* A 305 58.689 16.666 -5.778 316 H3* A 305 H3* A 305 55.710 16.559 -5.461 317 H2* A 305 H2* A 305 55.542 14.936 -7.182 318 2HO* A 305 2HO* A 305 58.386 15.334 -7.419 319 H1* A 305 H1* A 305 57.643 13.374 -6.120 320 H8 A 305 H8 A 305 55.397 14.650 -3.426 321 1H6 A 305 1H6 A 305 51.838 9.625 -4.437 322 2H6 A 305 2H6 A 305 52.099 10.986 -3.368 323 H2 A 305 H2 A 305 54.886 9.841 -7.663 324 1H5* U 306 1H5* U 306 53.624 17.500 -4.953 325 2H5* U 306 2H5* U 306 53.277 19.100 -5.608 326 H4* U 306 H4* U 306 52.925 18.459 -3.038 327 H3* U 306 H3* U 306 53.650 21.112 -4.264 328 H2* U 306 H2* U 306 53.931 22.042 -2.178 329 2HO* U 306 2HO* U 306 52.047 21.699 -1.152 330 H1* U 306 H1* U 306 54.384 19.316 -1.030 331 H3 U 306 H3 U 306 58.036 20.516 1.232 332 H5 U 306 H5 U 306 58.047 23.233 -1.955 333 H6 U 306 H6 U 306 56.035 22.108 -2.792 334 1H5* C 307 1H5* C 307 50.051 20.907 -0.962 335 2H5* C 307 2H5* C 307 48.972 21.164 -2.332 336 H4* C 307 H4* C 307 48.650 22.203 0.184 337 H3* C 307 H3* C 307 47.461 22.860 -2.479 338 H2* C 307 H2* C 307 46.398 24.797 -1.602 339 2HO* C 307 2HO* C 307 45.848 24.422 0.464 340 H1* C 307 H1* C 307 48.712 25.764 -0.391 341 1H4 C 307 1H4 C 307 48.435 28.403 -6.234 342 2H4 C 307 2H4 C 307 49.554 27.171 -6.774 343 H5 C 307 H5 C 307 50.244 25.346 -5.442 344 H6 C 307 H6 C 307 50.028 24.245 -3.243 345 1H5* U 308 1H5* U 308 45.946 20.451 0.566 346 2H5* U 308 2H5* U 308 46.348 19.071 -0.455 347 H4* U 308 H4* U 308 43.634 18.775 0.340 348 H3* U 308 H3* U 308 45.170 20.069 2.442 349 H2* U 308 H2* U 308 45.242 18.334 3.987 350 2HO* U 308 2HO* U 308 43.528 16.573 2.752 351 H1* U 308 H1* U 308 45.773 16.227 2.400 352 H3 U 308 H3 U 308 49.720 18.188 0.244 353 H5 U 308 H5 U 308 49.299 19.323 4.252 354 H6 U 308 H6 U 308 47.020 18.423 4.164 355 1H5* G 309 1H5* G 309 41.116 19.788 3.446 356 2H5* G 309 2H5* G 309 39.763 20.905 3.263 357 H4* G 309 H4* G 309 40.156 20.787 5.568 358 H3* G 309 H3* G 309 41.272 23.300 4.365 359 H2* G 309 H2* G 309 41.972 24.043 6.511 360 2HO* G 309 2HO* G 309 40.732 23.294 8.130 361 H1* G 309 H1* G 309 43.232 21.663 7.172 362 H8 G 309 H8 G 309 43.381 22.663 3.510 363 H1 G 309 H1 G 309 48.327 24.783 7.106 364 1H2 G 309 1H2 G 309 47.970 24.353 9.090 365 2H2 G 309 2H2 G 309 46.543 23.540 9.691 366 1H5* G 310 1H5* G 310 41.647 25.452 4.409 367 2H5* G 310 2H5* G 310 40.116 26.044 5.054 368 H4* G 310 H4* G 310 41.714 27.396 3.316 369 H3* G 310 H3* G 310 38.757 27.640 3.869 370 H2* G 310 H2* G 310 38.670 29.439 2.327 371 2HO* G 310 2HO* G 310 40.726 30.311 1.625 372 H1* G 310 H1* G 310 40.313 28.029 0.458 373 H8 G 310 H8 G 310 37.722 25.700 1.562 374 H1 G 310 H1 G 310 35.433 30.042 -2.656 375 1H2 G 310 1H2 G 310 36.805 31.563 -2.891 376 2H2 G 310 2H2 G 310 38.346 31.650 -2.069 377 1H5* C 311 1H5* C 311 40.619 31.178 4.497 378 2H5* C 311 2H5* C 311 40.365 32.109 5.974 379 H4* C 311 H4* C 311 39.930 33.665 4.333 380 H3* C 311 H3* C 311 37.328 32.441 5.210 381 H2* C 311 H2* C 311 36.151 33.906 3.753 382 2HO* C 311 2HO* C 311 38.795 34.978 3.348 383 H1* C 311 H1* C 311 37.900 33.353 1.596 384 1H4 C 311 1H4 C 311 32.743 29.700 0.609 385 2H4 C 311 2H4 C 311 33.448 28.475 1.639 386 H5 C 311 H5 C 311 35.446 28.775 2.863 387 H6 C 311 H6 C 311 37.276 30.342 3.406 388 1H5* G 312 1H5* G 312 36.406 37.280 5.907 389 2H5* G 312 2H5* G 312 34.864 36.899 6.672 390 H4* G 312 H4* G 312 35.131 38.129 4.275 391 H3* G 312 H3* G 312 32.886 36.543 5.469 392 H2* G 312 H2* G 312 31.636 36.728 3.453 393 2HO* G 312 2HO* G 312 33.630 38.066 2.044 394 H1* G 312 H1* G 312 33.694 35.856 1.831 395 H8 G 312 H8 G 312 34.422 33.803 4.686 396 H1 G 312 H1 G 312 28.888 31.948 1.889 397 1H2 G 312 1H2 G 312 28.248 33.415 0.589 398 2H2 G 312 2H2 G 312 29.085 34.923 0.301 399 1H5* G 313 1H5* G 313 30.923 38.957 2.600 400 2H5* G 313 2H5* G 313 30.099 40.102 3.658 401 H4* G 313 H4* G 313 28.465 39.369 2.151 402 H3* G 313 H3* G 313 28.203 38.029 4.825 403 H2* G 313 H2* G 313 26.265 36.879 4.083 404 2HO* G 313 2HO* G 313 26.651 38.587 1.796 405 H1* G 313 H1* G 313 27.399 36.001 1.710 406 H8 G 313 H8 G 313 29.959 36.134 4.457 407 H1 G 313 H1 G 313 26.508 30.660 4.345 408 1H2 G 313 1H2 G 313 24.951 30.854 3.006 409 2H2 G 313 2H2 G 313 24.628 32.288 2.056 410 1H5* A 314 1H5* A 314 24.637 39.565 3.151 411 2H5* A 314 2H5* A 314 23.408 40.091 4.301 412 H4* A 314 H4* A 314 22.521 38.422 2.777 413 H3* A 314 H3* A 314 22.723 37.676 5.681 414 H2* A 314 H2* A 314 21.646 35.610 5.233 415 2HO* A 314 2HO* A 314 21.288 36.932 2.711 416 H1* A 314 H1* A 314 23.257 34.976 3.062 417 H8 A 314 H8 A 314 25.157 36.826 5.732 418 1H6 A 314 1H6 A 314 26.357 31.238 8.239 419 2H6 A 314 2H6 A 314 26.732 32.944 8.334 420 H2 A 314 H2 A 314 23.425 30.684 4.945 421 1H5* C 315 1H5* C 315 19.663 35.318 4.596 422 2H5* C 315 2H5* C 315 18.280 35.979 5.467 423 H4* C 315 H4* C 315 18.736 33.538 5.833 424 H3* C 315 H3* C 315 17.761 35.344 7.670 425 H2* C 315 H2* C 315 19.744 35.616 8.907 426 2HO* C 315 2HO* C 315 19.250 33.284 10.241 427 H1* C 315 H1* C 315 20.467 32.690 8.653 428 1H4 C 315 1H4 C 315 26.355 34.850 9.657 429 2H4 C 315 2H4 C 315 25.931 36.424 9.021 430 H5 C 315 H5 C 315 23.792 36.972 8.184 431 H6 C 315 H6 C 315 21.510 36.137 7.747 432 1H5* C 316 1H5* C 316 14.988 31.780 5.047 433 2H5* C 316 2H5* C 316 14.470 30.622 6.273 434 H4* C 316 H4* C 316 15.313 29.625 4.134 435 H3* C 316 H3* C 316 16.568 28.874 6.776 436 H2* C 316 H2* C 316 17.783 27.180 5.654 437 2HO* C 316 2HO* C 316 16.928 26.424 3.750 438 H1* C 316 H1* C 316 18.428 28.907 3.484 439 1H4 C 316 1H4 C 316 23.711 28.646 7.074 440 2H4 C 316 2H4 C 316 23.042 29.890 8.106 441 H5 C 316 H5 C 316 20.852 30.744 7.889 442 H6 C 316 H6 C 316 18.741 30.614 6.614 443 1H5* C 317 1H5* C 317 14.433 25.446 5.180 444 2H5* C 317 2H5* C 317 13.682 24.425 6.406 445 H4* C 317 H4* C 317 15.084 23.018 5.140 446 H3* C 317 H3* C 317 16.283 23.713 7.813 447 H2* C 317 H2* C 317 18.067 22.208 7.381 448 2HO* C 317 2HO* C 317 16.501 20.754 6.349 449 H1* C 317 H1* C 317 18.495 23.187 4.783 450 1H4 C 317 1H4 C 317 22.728 26.362 8.349 451 2H4 C 317 2H4 C 317 21.460 27.441 8.887 452 H5 C 317 H5 C 317 19.180 27.171 8.333 453 H6 C 317 H6 C 317 17.540 25.786 7.114 454 1H5* G 318 1H5* G 318 15.933 19.500 7.790 455 2H5* G 318 2H5* G 318 15.170 18.877 9.252 456 H4* G 318 H4* G 318 17.223 17.718 8.955 457 H3* G 318 H3* G 318 17.260 19.717 11.200 458 H2* G 318 H2* G 318 19.447 19.010 11.795 459 2HO* G 318 2HO* G 318 19.552 17.139 9.689 460 H1* G 318 H1* G 318 20.418 19.129 9.181 461 H8 G 318 H8 G 318 17.953 21.862 10.002 462 H1 G 318 H1 G 318 24.087 23.274 11.505 463 1H2 G 318 1H2 G 318 25.259 21.593 11.268 464 2H2 G 318 2H2 G 318 24.667 20.034 10.741 465 1H5* U 319 1H5* U 319 17.989 17.029 13.066 466 2H5* U 319 2H5* U 319 17.543 16.459 14.674 467 H4* U 319 H4* U 319 18.946 18.880 13.864 468 H3* U 319 H3* U 319 18.683 17.243 16.376 469 H2* U 319 H2* U 319 19.685 19.029 17.605 470 2HO* U 319 2HO* U 319 21.073 19.509 15.766 471 H1* U 319 H1* U 319 17.943 20.928 16.452 472 H3 U 319 H3 U 319 16.042 21.062 20.497 473 H5 U 319 H5 U 319 15.703 17.013 19.482 474 H6 U 319 H6 U 319 16.947 17.526 17.431 475 1H5* G 320 1H5* G 320 21.564 17.905 13.533 476 2H5* G 320 2H5* G 320 21.516 17.098 11.965 477 H4* G 320 H4* G 320 23.508 15.704 12.894 478 H3* G 320 H3* G 320 23.245 17.724 15.023 479 H2* G 320 H2* G 320 25.510 18.422 14.947 480 2HO* G 320 2HO* G 320 25.676 16.276 13.031 481 H1* G 320 H1* G 320 25.580 18.914 12.264 482 H8 G 320 H8 G 320 22.075 19.636 12.826 483 H1 G 320 H1 G 320 25.861 24.187 15.442 484 1H2 G 320 1H2 G 320 27.807 23.507 15.511 485 2H2 G 320 2H2 G 320 28.335 21.938 14.944 486 1H5* G 321 1H5* G 321 27.101 15.694 15.970 487 2H5* G 321 2H5* G 321 26.931 15.304 17.681 488 H4* G 321 H4* G 321 28.978 16.550 17.250 489 H3* G 321 H3* G 321 26.878 17.804 18.980 490 H2* G 321 H2* G 321 28.259 19.701 19.354 491 2HO* G 321 2HO* G 321 30.038 17.783 18.701 492 H1* G 321 H1* G 321 28.873 19.924 16.586 493 H8 G 321 H8 G 321 25.285 19.380 16.665 494 H1 G 321 H1 G 321 26.815 25.356 18.625 495 1H2 G 321 1H2 G 321 28.840 25.459 19.002 496 2H2 G 321 2H2 G 321 29.957 24.126 18.815 497 1H5* U 322 1H5* U 322 29.842 16.719 22.476 498 2H5* U 322 2H5* U 322 28.774 16.995 23.852 499 H4* U 322 H4* U 322 30.664 18.672 23.419 500 H3* U 322 H3* U 322 27.819 19.384 24.038 501 H2* U 322 H2* U 322 28.346 21.698 23.967 502 2HO* U 322 2HO* U 322 30.931 21.685 23.283 503 H1* U 322 H1* U 322 29.783 21.407 21.535 504 H3 U 322 H3 U 322 26.175 24.081 20.641 505 H5 U 322 H5 U 322 24.683 20.169 20.537 506 H6 U 322 H6 U 322 26.847 19.426 21.418 507 1H5* G 323 1H5* G 323 29.863 20.979 28.185 508 2H5* G 323 2H5* G 323 28.692 20.108 29.175 509 H4* G 323 H4* G 323 28.697 22.365 29.903 510 H3* G 323 H3* G 323 26.262 21.544 28.372 511 H2* G 323 H2* G 323 25.304 23.714 28.642 512 2HO* G 323 2HO* G 323 26.419 23.779 30.781 513 H1* G 323 H1* G 323 27.535 25.028 27.663 514 H8 G 323 H8 G 323 27.480 21.941 25.694 515 H1 G 323 H1 G 323 22.913 26.115 23.798 516 1H2 G 323 1H2 G 323 22.721 27.612 25.203 517 2H2 G 323 2H2 G 323 23.658 27.720 26.677 518 1H5* G 324 1H5* G 324 23.342 20.653 28.321 519 2H5* G 324 2H5* G 324 24.441 22.027 28.185 520 H4* G 324 H4* G 324 22.730 23.417 27.982 521 H3* G 324 H3* G 324 21.989 22.376 30.688 522 H2* G 324 H2* G 324 19.817 23.301 30.524 523 2HO* G 324 2HO* G 324 20.913 24.433 28.112 524 H1* G 324 H1* G 324 19.273 22.301 28.015 525 H8 G 324 H8 G 324 21.238 19.531 29.127 526 H1 G 324 H1 G 324 15.725 19.875 32.500 527 1H2 G 324 1H2 G 324 14.857 21.724 32.215 528 2H2 G 324 2H2 G 324 15.524 22.992 31.211 529 1H5* A 325 1H5* A 325 20.856 26.404 30.976 530 2H5* A 325 2H5* A 325 21.648 27.148 32.364 531 H4* A 325 H4* A 325 19.367 27.580 32.654 532 H3* A 325 H3* A 325 20.294 25.315 34.399 533 H2* A 325 H2* A 325 18.136 25.175 35.376 534 2HO* A 325 2HO* A 325 17.452 27.413 33.708 535 H1* A 325 H1* A 325 16.810 25.234 32.906 536 H8 A 325 H8 A 325 19.818 23.160 32.423 537 1H6 A 325 1H6 A 325 16.663 18.391 34.922 538 2H6 A 325 2H6 A 325 18.118 18.828 34.056 539 H2 A 325 H2 A 325 14.327 22.109 35.598 540 1H5* A 326 1H5* A 326 19.788 28.226 38.159 541 2H5* A 326 2H5* A 326 20.358 27.008 39.300 542 H4* A 326 H4* A 326 17.812 27.694 39.137 543 H3* A 326 H3* A 326 19.037 25.047 39.790 544 H2* A 326 H2* A 326 16.890 24.022 39.935 545 2HO* A 326 2HO* A 326 15.639 26.441 39.150 546 H1* A 326 H1* A 326 16.063 24.964 37.458 547 H8 A 326 H8 A 326 19.468 24.357 36.583 548 1H6 A 326 1H6 A 326 18.415 18.206 36.714 549 2H6 A 326 2H6 A 326 19.540 19.441 36.195 550 H2 A 326 H2 A 326 15.000 20.245 38.697 551 1H5* C 327 1H5* C 327 15.931 25.258 42.494 552 2H5* C 327 2H5* C 327 16.513 24.923 44.125 553 H4* C 327 H4* C 327 14.725 23.412 43.587 554 H3* C 327 H3* C 327 17.458 22.189 43.827 555 H2* C 327 H2* C 327 16.530 20.024 43.505 556 2HO* C 327 2HO* C 327 14.099 20.021 43.345 557 H1* C 327 H1* C 327 15.069 20.756 41.255 558 1H4 C 327 1H4 C 327 20.703 18.608 39.085 559 2H4 C 327 2H4 C 327 21.273 20.262 39.071 560 H5 C 327 H5 C 327 20.047 22.084 39.938 561 H6 C 327 H6 C 327 17.950 22.775 41.045 562 1H5* U 328 1H5* U 328 14.880 19.796 45.769 563 2H5* U 328 2H5* U 328 15.291 19.573 47.469 564 H4* U 328 H4* U 328 14.849 17.431 46.540 565 H3* U 328 H3* U 328 17.767 17.941 47.075 566 H2* U 328 H2* U 328 18.251 15.693 46.486 567 2HO* U 328 2HO* U 328 16.303 14.960 47.539 568 H1* U 328 H1* U 328 16.700 15.784 44.149 569 H3 U 328 H3 U 328 21.248 15.559 43.224 570 H5 U 328 H5 U 328 20.223 19.619 43.255 571 H6 U 328 H6 U 328 18.055 18.963 44.192 572 1H5* G 329 1H5* G 329 17.359 14.674 49.400 573 2H5* G 329 2H5* G 329 18.310 14.776 50.880 574 H4* G 329 H4* G 329 19.193 13.070 49.398 575 H3* G 329 H3* G 329 20.921 15.470 49.931 576 H2* G 329 H2* G 329 22.661 14.543 48.635 577 2HO* G 329 2HO* G 329 22.641 12.313 48.320 578 H1* G 329 H1* G 329 20.762 13.623 46.653 579 H8 G 329 H8 G 329 20.331 17.223 47.315 580 H1 G 329 H1 G 329 25.256 16.010 43.296 581 1H2 G 329 1H2 G 329 25.674 13.990 43.309 582 2H2 G 329 2H2 G 329 24.818 12.803 44.266 583 1H5* U 330 1H5* U 330 23.347 16.548 52.335 584 2H5* U 330 2H5* U 330 23.437 15.921 50.690 585 H4* U 330 H4* U 330 25.593 16.542 52.130 586 H3* U 330 H3* U 330 25.200 14.548 49.950 587 H2* U 330 H2* U 330 27.365 13.630 50.251 588 2HO* U 330 2HO* U 330 27.584 15.812 52.120 589 H1* U 330 H1* U 330 27.115 13.369 53.014 590 H3 U 330 H3 U 330 26.483 9.021 52.201 591 H5 U 330 H5 U 330 23.391 10.797 50.004 592 H6 U 330 H6 U 330 24.289 12.974 50.687 593 1H5* G 331 1H5* G 331 28.968 15.807 47.651 594 2H5* G 331 2H5* G 331 28.038 15.892 46.155 595 H4* G 331 H4* G 331 29.890 14.124 46.357 596 H3* G 331 H3* G 331 27.151 13.709 45.247 597 H2* G 331 H2* G 331 27.552 11.397 44.886 598 2HO* G 331 2HO* G 331 29.711 11.647 44.235 599 H1* G 331 H1* G 331 28.569 10.976 47.460 600 H8 G 331 H8 G 331 25.682 13.388 47.394 601 H1 G 331 H1 G 331 23.921 7.171 47.774 602 1H2 G 331 1H2 G 331 25.574 5.970 47.495 603 2H2 G 331 2H2 G 331 27.195 6.558 47.203 604 1H5* A 332 1H5* A 332 29.643 13.903 41.093 605 2H5* A 332 2H5* A 332 28.342 13.538 39.959 606 H4* A 332 H4* A 332 30.032 11.687 40.639 607 H3* A 332 H3* A 332 27.061 11.376 40.328 608 H2* A 332 H2* A 332 27.254 9.048 40.797 609 2HO* A 332 2HO* A 332 29.383 9.184 39.633 610 H1* A 332 H1* A 332 28.776 9.447 43.094 611 H8 A 332 H8 A 332 26.187 12.135 42.641 612 1H6 A 332 1H6 A 332 22.302 8.432 45.826 613 2H6 A 332 2H6 A 332 22.494 10.030 45.139 614 H2 A 332 H2 A 332 26.013 6.145 44.969 615 1H5* A 333 1H5* A 333 26.259 7.434 38.027 616 2H5* A 333 2H5* A 333 25.756 8.609 36.812 617 H4* A 333 H4* A 333 23.988 7.242 38.170 618 H3* A 333 H3* A 333 23.834 10.129 37.355 619 H2* A 333 H2* A 333 21.687 10.311 38.348 620 2HO* A 333 2HO* A 333 21.926 7.523 38.983 621 H1* A 333 H1* A 333 22.432 9.125 40.743 622 H8 A 333 H8 A 333 25.315 11.100 39.433 623 1H6 A 333 1H6 A 333 22.788 16.070 42.239 624 2H6 A 333 2H6 A 333 24.213 15.482 41.410 625 H2 A 333 H2 A 333 19.852 12.740 42.401 626 1H5* G 334 1H5* G 334 19.895 7.777 36.911 627 2H5* G 334 2H5* G 334 18.868 8.825 35.933 628 H4* G 334 H4* G 334 18.337 8.315 38.469 629 H3* G 334 H3* G 334 17.885 10.855 36.931 630 H2* G 334 H2* G 334 16.928 11.864 38.864 631 2HO* G 334 2HO* G 334 15.969 9.781 39.434 632 H1* G 334 H1* G 334 19.040 11.149 40.523 633 H8 G 334 H8 G 334 20.910 11.848 37.536 634 H1 G 334 H1 G 334 18.420 17.289 40.002 635 1H2 G 334 1H2 G 334 16.974 16.816 41.395 636 2H2 G 334 2H2 G 334 16.506 15.187 41.829 637 1H5* U 335 1H5* U 335 14.050 10.165 39.062 638 2H5* U 335 2H5* U 335 12.824 10.817 37.974 639 H4* U 335 H4* U 335 13.031 11.871 40.281 640 H3* U 335 H3* U 335 12.950 13.438 37.718 641 H2* U 335 H2* U 335 12.978 15.468 38.948 642 2HO* U 335 2HO* U 335 11.587 14.408 40.564 643 H1* U 335 H1* U 335 15.103 14.698 40.579 644 H3 U 335 H3 U 335 16.303 17.909 37.423 645 H5 U 335 H5 U 335 17.327 14.175 35.827 646 H6 U 335 H6 U 335 16.053 13.153 37.656 647 1H5* U 336 1H5* U 336 9.251 14.743 39.655 648 2H5* U 336 2H5* U 336 8.032 15.080 38.428 649 H4* U 336 H4* U 336 8.572 17.109 39.588 650 H3* U 336 H3* U 336 9.409 16.936 36.722 651 H2* U 336 H2* U 336 10.314 19.134 36.793 652 2HO* U 336 2HO* U 336 9.704 20.447 38.518 653 H1* U 336 H1* U 336 11.736 18.616 39.173 654 H3 U 336 H3 U 336 14.877 19.149 35.896 655 H5 U 336 H5 U 336 13.538 15.204 35.467 656 H6 U 336 H6 U 336 11.790 15.723 37.106 657 1H5* C 337 1H5* C 337 7.452 20.731 36.713 658 2H5* C 337 2H5* C 337 6.678 20.915 35.139 659 H4* C 337 H4* C 337 8.527 22.537 35.641 660 H3* C 337 H3* C 337 8.528 20.833 33.163 661 H2* C 337 H2* C 337 10.519 21.826 32.438 662 2HO* C 337 2HO* C 337 10.289 23.698 34.592 663 H1* C 337 H1* C 337 11.493 21.995 35.187 664 1H4 C 337 1H4 C 337 15.430 17.995 32.092 665 2H4 C 337 2H4 C 337 14.324 16.693 32.470 666 H5 C 337 H5 C 337 12.214 17.011 33.483 667 H6 C 337 H6 C 337 10.632 18.673 34.394 668 1H5* G 338 1H5* G 338 7.857 24.432 31.218 669 2H5* G 338 2H5* G 338 6.789 24.247 29.826 670 H4* G 338 H4* G 338 8.988 24.493 28.989 671 H3* G 338 H3* G 338 7.973 21.664 28.821 672 H2* G 338 H2* G 338 9.940 21.023 27.686 673 2HO* G 338 2HO* G 338 10.818 22.586 26.441 674 H1* G 338 H1* G 338 11.544 22.682 29.438 675 H8 G 338 H8 G 338 9.454 20.401 31.421 676 H1 G 338 H1 G 338 14.696 17.467 29.012 677 1H2 G 338 1H2 G 338 15.573 18.680 27.593 678 2H2 G 338 2H2 G 338 14.976 20.256 27.125 679 1H5* G 339 1H5* G 339 9.686 21.395 25.316 680 2H5* G 339 2H5* G 339 8.494 20.618 24.276 681 H4* G 339 H4* G 339 10.654 19.347 24.988 682 H3* G 339 H3* G 339 7.886 18.271 24.689 683 H2* G 339 H2* G 339 8.343 16.528 26.076 684 2HO* G 339 2HO* G 339 10.461 15.421 25.271 685 H1* G 339 H1* G 339 11.191 17.622 26.306 686 H8 G 339 H8 G 339 12.270 16.570 28.306 687 H1 G 339 H1 G 339 6.596 15.284 31.139 688 1H2 G 339 1H2 G 339 5.060 16.004 29.966 689 2H2 G 339 2H2 G 339 5.278 16.834 28.441 690 1H5* A 340 1H5* A 340 10.490 19.729 21.279 691 2H5* A 340 2H5* A 340 12.227 20.032 21.293 692 H4* A 340 H4* A 340 10.340 21.962 21.387 693 H3* A 340 H3* A 340 13.189 21.926 22.322 694 H2* A 340 H2* A 340 12.963 24.136 23.175 695 2HO* A 340 2HO* A 340 10.471 24.805 22.765 696 H1* A 340 H1* A 340 10.525 23.486 24.476 697 H8 A 340 H8 A 340 12.693 20.677 25.229 698 1H6 A 340 1H6 A 340 15.527 24.165 29.561 699 2H6 A 340 2H6 A 340 15.339 22.536 28.952 700 H2 A 340 H2 A 340 13.018 26.836 27.047 701 1H5* A 341 1H5* A 341 12.044 25.761 20.695 702 2H5* A 341 2H5* A 341 13.416 26.469 19.844 703 H4* A 341 H4* A 341 12.519 27.919 21.625 704 H3* A 341 H3* A 341 15.372 26.974 21.799 705 H2* A 341 H2* A 341 15.702 28.378 23.683 706 2HO* A 341 2HO* A 341 14.337 30.006 22.637 707 H1* A 341 H1* A 341 13.339 27.550 24.947 708 H8 A 341 H8 A 341 14.894 24.595 23.333 709 1H6 A 341 1H6 A 341 18.481 24.037 28.410 710 2H6 A 341 2H6 A 341 17.986 23.246 26.930 711 H2 A 341 H2 A 341 16.367 27.940 28.622 712 1H5* C 342 1H5* C 342 15.753 30.978 21.481 713 2H5* C 342 2H5* C 342 16.939 31.631 20.352 714 H4* C 342 H4* C 342 17.394 32.273 22.677 715 H3* C 342 H3* C 342 19.417 30.662 21.159 716 H2* C 342 H2* C 342 20.915 30.749 23.008 717 2HO* C 342 2HO* C 342 19.583 32.009 24.893 718 H1* C 342 H1* C 342 19.020 29.892 24.843 719 1H4 C 342 1H4 C 342 21.979 24.662 22.559 720 2H4 C 342 2H4 C 342 20.555 24.382 21.582 721 H5 C 342 H5 C 342 18.765 25.912 21.398 722 H6 C 342 H6 C 342 17.892 28.109 22.111 723 1H5* A 343 1H5* A 343 21.611 33.375 23.034 724 2H5* A 343 2H5* A 343 22.605 34.340 21.942 725 H4* A 343 H4* A 343 24.041 33.461 23.606 726 H3* A 343 H3* A 343 24.332 32.139 20.927 727 H2* A 343 H2* A 343 26.100 30.792 21.758 728 2HO* A 343 2HO* A 343 25.763 32.605 23.955 729 H1* A 343 H1* A 343 24.737 29.998 24.042 730 H8 A 343 H8 A 343 22.300 30.353 21.236 731 1H6 A 343 1H6 A 343 23.762 24.499 19.637 732 2H6 A 343 2H6 A 343 22.657 25.820 19.327 733 H2 A 343 H2 A 343 26.619 25.841 22.765 734 1H5* C 344 1H5* C 344 28.381 33.806 21.100 735 2H5* C 344 2H5* C 344 28.831 34.094 19.419 736 H4* C 344 H4* C 344 30.116 32.277 20.507 737 H3* C 344 H3* C 344 28.489 31.715 18.044 738 H2* C 344 H2* C 344 29.336 29.495 17.990 739 2HO* C 344 2HO* C 344 31.425 29.768 18.636 740 H1* C 344 H1* C 344 28.864 29.142 20.771 741 1H4 C 344 1H4 C 344 23.995 26.158 17.918 742 2H4 C 344 2H4 C 344 23.213 27.701 17.659 743 H5 C 344 H5 C 344 24.203 29.782 18.177 744 H6 C 344 H6 C 344 26.208 30.905 19.080 745 1H5* C 345 1H5* C 345 32.739 30.766 16.249 746 2H5* C 345 2H5* C 345 32.214 30.343 14.620 747 H4* C 345 H4* C 345 32.987 28.538 16.440 748 H3* C 345 H3* C 345 30.985 28.256 14.203 749 H2* C 345 H2* C 345 30.734 25.962 14.775 750 2HO* C 345 2HO* C 345 32.831 26.556 16.661 751 H1* C 345 H1* C 345 30.506 26.557 17.537 752 1H4 C 345 1H4 C 345 24.589 25.662 15.181 753 2H4 C 345 2H4 C 345 24.432 27.404 15.146 754 H5 C 345 H5 C 345 26.208 28.895 15.589 755 H6 C 345 H6 C 345 28.598 29.083 16.181 756 1H5* C 346 1H5* C 346 32.625 25.109 13.993 757 2H5* C 346 2H5* C 346 33.543 24.695 12.547 758 H4* C 346 H4* C 346 32.115 22.895 12.781 759 H3* C 346 H3* C 346 30.821 24.843 10.865 760 H2* C 346 H2* C 346 29.150 23.233 10.451 761 2HO* C 346 2HO* C 346 29.612 21.039 11.201 762 H1* C 346 H1* C 346 29.085 22.486 13.242 763 1H4 C 346 1H4 C 346 23.613 25.590 12.001 764 2H4 C 346 2H4 C 346 24.423 27.079 12.432 765 H5 C 346 H5 C 346 26.735 27.233 12.893 766 H6 C 346 H6 C 346 28.859 25.985 13.054 767 1H5* G 347 1H5* G 347 32.407 21.318 8.467 768 2H5* G 347 2H5* G 347 32.594 21.737 6.764 769 H4* G 347 H4* G 347 31.053 19.860 7.108 770 H3* G 347 H3* G 347 30.052 22.382 5.832 771 H2* G 347 H2* G 347 27.905 21.403 5.512 772 2HO* G 347 2HO* G 347 28.960 19.328 5.091 773 H1* G 347 H1* G 347 27.769 20.501 8.176 774 H8 G 347 H8 G 347 29.179 23.812 8.558 775 H1 G 347 H1 G 347 22.931 24.105 6.901 776 1H2 G 347 1H2 G 347 22.306 22.254 6.242 777 2H2 G 347 2H2 G 347 23.323 20.833 6.152 778 1H5* G 348 1H5* G 348 29.582 19.982 2.129 779 2H5* G 348 2H5* G 348 29.443 21.245 0.906 780 H4* G 348 H4* G 348 27.320 20.014 1.781 781 H3* G 348 H3* G 348 27.551 22.978 1.264 782 H2* G 348 H2* G 348 25.217 23.171 1.663 783 2HO* G 348 2HO* G 348 25.028 20.382 2.146 784 H1* G 348 H1* G 348 25.380 21.519 3.976 785 H8 G 348 H8 G 348 28.139 23.780 4.447 786 H1 G 348 H1 G 348 22.494 26.847 5.235 787 1H2 G 348 1H2 G 348 20.967 25.679 4.492 788 2H2 G 348 2H2 G 348 21.181 24.104 3.763 789 1H5* C 349 1H5* C 349 23.810 22.991 0.245 790 2H5* C 349 2H5* C 349 23.845 23.397 -1.471 791 H4* C 349 H4* C 349 22.568 25.084 -0.484 792 H3* C 349 H3* C 349 25.374 26.018 -1.012 793 H2* C 349 H2* C 349 24.857 28.152 -0.176 794 2HO* C 349 2HO* C 349 22.805 28.023 -1.354 795 H1* C 349 H1* C 349 23.215 26.994 1.922 796 1H4 C 349 1H4 C 349 28.275 29.561 4.879 797 2H4 C 349 2H4 C 349 29.190 28.119 4.500 798 H5 C 349 H5 C 349 28.380 26.368 3.138 799 H6 C 349 H6 C 349 26.475 25.561 1.791 800 1H5* C 350 1H5* C 350 23.117 28.305 -4.278 801 2H5* C 350 2H5* C 350 24.342 28.790 -5.451 802 H4* C 350 H4* C 350 23.321 30.633 -4.058 803 H3* C 350 H3* C 350 26.285 30.226 -4.324 804 H2* C 350 H2* C 350 26.687 32.164 -3.020 805 2HO* C 350 2HO* C 350 25.061 33.664 -2.945 806 H1* C 350 H1* C 350 24.699 31.392 -1.111 807 1H4 C 350 1H4 C 350 30.320 30.124 1.659 808 2H4 C 350 2H4 C 350 30.372 28.600 0.800 809 H5 C 350 H5 C 350 28.793 27.956 -0.832 810 H6 C 350 H6 C 350 26.754 28.621 -2.057 811 1H5* G 351 1H5* G 351 26.130 34.223 -6.015 812 2H5* G 351 2H5* G 351 26.712 34.037 -7.669 813 H4* G 351 H4* G 351 28.070 35.702 -6.792 814 H3* G 351 H3* G 351 29.469 33.053 -6.738 815 H2* G 351 H2* G 351 31.408 34.049 -5.794 816 2HO* G 351 2HO* G 351 30.923 35.969 -7.156 817 H1* G 351 H1* G 351 30.004 35.387 -3.797 818 H8 G 351 H8 G 351 28.729 31.944 -4.784 819 H1 G 351 H1 G 351 32.961 31.978 0.111 820 1H2 G 351 1H2 G 351 33.713 33.882 0.360 821 2H2 G 351 2H2 G 351 33.262 35.264 -0.614 822 1H5* C 352 1H5* C 352 32.023 35.657 -8.786 823 2H5* C 352 2H5* C 352 33.065 34.905 -9.994 824 H4* C 352 H4* C 352 34.319 35.838 -8.097 825 H3* C 352 H3* C 352 34.475 32.887 -8.648 826 H2* C 352 H2* C 352 36.086 32.644 -6.926 827 2HO* C 352 2HO* C 352 36.966 34.634 -6.038 828 H1* C 352 H1* C 352 34.587 34.259 -5.130 829 1H4 C 352 1H4 C 352 33.349 28.271 -3.298 830 2H4 C 352 2H4 C 352 32.228 28.102 -4.631 831 H5 C 352 H5 C 352 31.900 29.748 -6.291 832 H6 C 352 H6 C 352 32.574 31.985 -7.091 833 1H5* A 353 1H5* A 353 38.370 34.413 -10.635 834 2H5* A 353 2H5* A 353 38.533 33.527 -12.151 835 H4* A 353 H4* A 353 40.373 33.008 -10.672 836 H3* A 353 H3* A 353 38.453 30.800 -11.315 837 H2* A 353 H2* A 353 39.711 29.263 -10.019 838 2HO* A 353 2HO* A 353 41.503 31.499 -9.717 839 H1* A 353 H1* A 353 39.924 31.045 -7.838 840 H8 A 353 H8 A 353 36.671 30.579 -9.789 841 1H6 A 353 1H6 A 353 34.969 26.804 -5.121 842 2H6 A 353 2H6 A 353 34.429 27.552 -6.608 843 H2 A 353 H2 A 353 39.159 28.095 -4.407 844 1H5* A 354 1H5* A 354 42.496 29.517 -11.857 845 2H5* A 354 2H5* A 354 42.683 28.374 -13.186 846 H4* A 354 H4* A 354 43.524 27.391 -11.163 847 H3* A 354 H3* A 354 41.030 26.182 -12.301 848 H2* A 354 H2* A 354 40.981 24.548 -10.578 849 2HO* A 354 2HO* A 354 43.008 25.070 -9.024 850 H1* A 354 H1* A 354 41.437 26.484 -8.558 851 H8 A 354 H8 A 354 38.952 27.718 -11.038 852 1H6 A 354 1H6 A 354 34.585 24.753 -7.709 853 2H6 A 354 2H6 A 354 34.844 25.887 -9.016 854 H2 A 354 H2 A 354 38.571 23.519 -6.183 855 1H5* C 355 1H5* C 355 43.690 22.820 -12.030 856 2H5* C 355 2H5* C 355 43.639 21.903 -13.535 857 H4* C 355 H4* C 355 43.092 20.390 -11.811 858 H3* C 355 H3* C 355 40.687 21.251 -13.402 859 H2* C 355 H2* C 355 39.339 19.733 -12.179 860 2HO* C 355 2HO* C 355 40.421 18.124 -10.953 861 H1* C 355 H1* C 355 40.477 20.518 -9.699 862 1H4 C 355 1H4 C 355 34.880 23.584 -10.015 863 2H4 C 355 2H4 C 355 35.636 24.824 -10.991 864 H5 C 355 H5 C 355 37.858 24.703 -11.782 865 H6 C 355 H6 C 355 39.924 23.350 -11.830 866 1H5* C 356 1H5* C 356 41.523 17.131 -13.812 867 2H5* C 356 2H5* C 356 40.840 16.167 -15.120 868 H4* C 356 H4* C 356 39.902 15.520 -12.975 869 H3* C 356 H3* C 356 38.013 16.800 -14.944 870 H2* C 356 H2* C 356 36.208 16.293 -13.489 871 2HO* C 356 2HO* C 356 36.744 14.896 -11.642 872 H1* C 356 H1* C 356 37.586 17.229 -11.210 873 1H4 C 356 1H4 C 356 33.834 22.104 -12.910 874 2H4 C 356 2H4 C 356 34.985 22.548 -14.151 875 H5 C 356 H5 C 356 36.906 21.279 -14.675 876 H6 C 356 H6 C 356 38.210 19.253 -14.134 877 1H5* C 357 1H5* C 357 36.974 13.298 -13.831 878 2H5* C 357 2H5* C 357 36.999 11.806 -14.769 879 H4* C 357 H4* C 357 35.032 11.485 -13.708 880 H3* C 357 H3* C 357 34.375 13.027 -16.183 881 H2* C 357 H2* C 357 32.098 13.216 -15.554 882 2HO* C 357 2HO* C 357 31.375 11.877 -13.817 883 H1* C 357 H1* C 357 32.584 14.117 -13.002 884 1H4 C 357 1H4 C 357 32.509 19.422 -16.571 885 2H4 C 357 2H4 C 357 34.228 19.238 -16.836 886 H5 C 357 H5 C 357 35.478 17.370 -16.109 887 H6 C 357 H6 C 357 35.384 15.198 -14.940 888 1H5* U 358 1H5* U 358 30.896 11.219 -15.695 889 2H5* U 358 2H5* U 358 30.721 10.090 -17.038 890 H4* U 358 H4* U 358 28.765 11.325 -17.124 891 H3* U 358 H3* U 358 30.739 12.498 -19.076 892 H2* U 358 H2* U 358 29.040 13.968 -19.849 893 2HO* U 358 2HO* U 358 27.472 12.217 -19.610 894 H1* U 358 H1* U 358 28.255 14.644 -17.214 895 H3 U 358 H3 U 358 29.958 18.588 -18.580 896 H5 U 358 H5 U 358 33.329 16.114 -18.338 897 H6 U 358 H6 U 358 31.806 14.252 -17.867 898 1H5* G 359 1H5* G 359 27.371 10.800 -21.017 899 2H5* G 359 2H5* G 359 27.437 10.341 -22.719 900 H4* G 359 H4* G 359 25.860 12.161 -22.336 901 H3* G 359 H3* G 359 28.283 12.772 -24.024 902 H2* G 359 H2* G 359 27.341 14.887 -24.541 903 2HO* G 359 2HO* G 359 25.212 14.215 -24.781 904 H1* G 359 H1* G 359 26.619 15.382 -21.849 905 H8 G 359 H8 G 359 30.024 13.923 -21.960 906 H1 G 359 H1 G 359 29.946 20.255 -23.296 907 1H2 G 359 1H2 G 359 28.001 20.874 -23.584 908 2H2 G 359 2H2 G 359 26.598 19.833 -23.479 909 1H5* G 360 1H5* G 360 24.775 12.692 -26.043 910 2H5* G 360 2H5* G 360 24.398 11.945 -27.594 911 H4* G 360 H4* G 360 23.816 14.104 -28.036 912 H3* G 360 H3* G 360 26.706 13.821 -28.811 913 H2* G 360 H2* G 360 26.727 16.082 -29.552 914 2HO* G 360 2HO* G 360 24.513 15.806 -30.334 915 H1* G 360 H1* G 360 25.505 17.013 -27.192 916 H8 G 360 H8 G 360 28.025 14.359 -26.446 917 H1 G 360 H1 G 360 30.610 20.249 -27.158 918 1H2 G 360 1H2 G 360 29.185 21.543 -27.900 919 2H2 G 360 2H2 G 360 27.535 21.097 -28.274 920 1H5* G 361 1H5* G 361 24.415 14.750 -32.439 921 2H5* G 361 2H5* G 361 25.057 13.996 -33.898 922 H4* G 361 H4* G 361 25.047 16.349 -34.241 923 H3* G 361 H3* G 361 27.773 15.161 -33.839 924 H2* G 361 H2* G 361 28.777 17.285 -34.203 925 2HO* G 361 2HO* G 361 26.281 18.560 -34.492 926 H1* G 361 H1* G 361 27.078 18.603 -32.419 927 H8 G 361 H8 G 361 27.893 15.216 -31.088 928 H1 G 361 H1 G 361 32.487 19.618 -29.904 929 1H2 G 361 1H2 G 361 32.093 21.331 -30.981 930 2H2 G 361 2H2 G 361 30.722 21.544 -32.047 931 1H5* A 362 1H5* A 362 27.041 16.697 -37.666 932 2H5* A 362 2H5* A 362 27.595 15.997 -39.186 933 H4* A 362 H4* A 362 28.477 18.155 -39.179 934 H3* A 362 H3* A 362 30.538 16.118 -38.415 935 H2* A 362 H2* A 362 32.191 17.809 -38.203 936 2HO* A 362 2HO* A 362 30.089 19.562 -39.100 937 H1* A 362 H1* A 362 30.605 19.465 -36.625 938 H8 A 362 H8 A 362 29.767 16.024 -35.598 939 1H6 A 362 1H6 A 362 34.871 16.088 -32.009 940 2H6 A 362 2H6 A 362 33.405 15.206 -32.373 941 H2 A 362 H2 A 362 34.997 19.645 -34.668 942 1H5* G 363 1H5* G 363 32.626 19.061 -40.625 943 2H5* G 363 2H5* G 363 33.830 18.197 -41.581 944 H4* G 363 H4* G 363 34.565 19.848 -39.701 945 H3* G 363 H3* G 363 35.794 17.190 -40.365 946 H2* G 363 H2* G 363 37.423 17.499 -38.670 947 2HO* G 363 2HO* G 363 36.330 19.996 -37.929 948 H1* G 363 H1* G 363 35.590 18.237 -36.718 949 H8 G 363 H8 G 363 33.815 15.700 -38.689 950 H1 G 363 H1 G 363 38.256 13.094 -34.768 951 1H2 G 363 1H2 G 363 39.478 14.581 -34.028 952 2H2 G 363 2H2 G 363 39.323 16.280 -34.412 953 1H5* A 364 1H5* A 364 37.252 15.883 -42.248 954 2H5* A 364 2H5* A 364 38.370 16.363 -40.973 955 H4* A 364 H4* A 364 38.892 14.992 -43.444 956 H3* A 364 H3* A 364 40.512 15.656 -40.981 957 H2* A 364 H2* A 364 42.419 14.798 -42.074 958 2HO* A 364 2HO* A 364 40.539 13.954 -44.086 959 H1* A 364 H1* A 364 41.636 16.000 -44.570 960 H8 A 364 H8 A 364 41.523 18.589 -41.991 961 1H6 A 364 1H6 A 364 47.696 19.256 -42.620 962 2H6 A 364 2H6 A 364 46.258 19.967 -41.923 963 H2 A 364 H2 A 364 46.473 15.558 -44.758 964 1H5* G 365 1H5* G 365 42.834 12.893 -38.714 965 2H5* G 365 2H5* G 365 41.546 13.115 -37.531 966 H4* G 365 H4* G 365 43.890 14.638 -37.856 967 H3* G 365 H3* G 365 41.739 14.420 -35.935 968 H2* G 365 H2* G 365 40.975 16.572 -36.292 969 2HO* G 365 2HO* G 365 42.697 17.978 -35.152 970 H1* G 365 H1* G 365 43.751 17.178 -37.455 971 H8 G 365 H8 G 365 41.816 17.916 -40.130 972 H1 G 365 H1 G 365 40.849 22.635 -35.807 973 1H2 G 365 1H2 G 365 41.477 22.004 -33.947 974 2H2 G 365 2H2 G 365 42.164 20.431 -33.609 975 1H5* G 366 1H5* G 366 42.438 14.472 -32.566 976 2H5* G 366 2H5* G 366 43.456 15.705 -33.307 977 H4* G 366 H4* G 366 43.402 14.741 -30.582 978 H3* G 366 H3* G 366 43.497 17.189 -31.532 979 H2* G 366 H2* G 366 45.516 16.988 -32.800 980 2HO* G 366 2HO* G 366 46.747 17.900 -30.484 981 H1* G 366 H1* G 366 46.841 15.797 -30.321 982 H8 G 366 H8 G 366 47.412 13.203 -32.304 983 H1 G 366 H1 G 366 50.826 18.067 -34.868 984 1H2 G 366 1H2 G 366 50.110 19.864 -34.152 985 2H2 G 366 2H2 G 366 48.782 20.028 -33.023 986 1H5* U 367 1H5* U 367 43.919 19.536 -30.505 987 2H5* U 367 2H5* U 367 43.026 20.099 -29.093 988 H4* U 367 H4* U 367 42.703 21.312 -31.342 989 H3* U 367 H3* U 367 40.502 20.502 -29.463 990 H2* U 367 H2* U 367 38.901 21.540 -30.880 991 2HO* U 367 2HO* U 367 40.468 23.253 -31.328 992 H1* U 367 H1* U 367 39.857 20.319 -33.193 993 H3 U 367 H3 U 367 36.121 17.885 -32.620 994 H5 U 367 H5 U 367 38.508 16.722 -29.381 995 H6 U 367 H6 U 367 40.121 18.430 -30.085 996 1H5* C 368 1H5* C 368 40.167 24.622 -29.888 997 2H5* C 368 2H5* C 368 39.554 25.518 -28.499 998 H4* C 368 H4* C 368 38.053 25.587 -30.460 999 H3* C 368 H3* C 368 37.038 24.376 -27.891 1000 H2* C 368 H2* C 368 34.873 24.264 -28.851 1001 2HO* C 368 2HO* C 368 34.648 25.369 -30.968 1002 H1* C 368 H1* C 368 35.867 23.242 -31.304 1003 1H4 C 368 1H4 C 368 33.608 18.166 -28.142 1004 2H4 C 368 2H4 C 368 35.132 18.048 -27.290 1005 H5 C 368 H5 C 368 36.871 19.634 -27.481 1006 H6 C 368 H6 C 368 37.585 21.744 -28.547 1007 1H5* C 369 1H5* C 369 34.918 27.366 -28.842 1008 2H5* C 369 2H5* C 369 34.480 28.798 -27.911 1009 H4* C 369 H4* C 369 32.394 28.041 -28.330 1010 H3* C 369 H3* C 369 33.234 26.521 -25.867 1011 H2* C 369 H2* C 369 31.098 25.493 -25.805 1012 2HO* C 369 2HO* C 369 30.041 27.457 -26.422 1013 H1* C 369 H1* C 369 31.130 24.932 -28.578 1014 1H4 C 369 1H4 C 369 33.005 19.366 -26.142 1015 2H4 C 369 2H4 C 369 34.416 20.117 -25.429 1016 H5 C 369 H5 C 369 34.880 22.430 -25.555 1017 H6 C 369 H6 C 369 34.097 24.612 -26.404 1018 1H5* C 370 1H5* C 370 30.035 29.037 -25.201 1019 2H5* C 370 2H5* C 370 29.522 29.685 -23.644 1020 H4* C 370 H4* C 370 27.904 28.087 -24.320 1021 H3* C 370 H3* C 370 29.694 27.074 -22.112 1022 H2* C 370 H2* C 370 28.298 25.167 -21.919 1023 2HO* C 370 2HO* C 370 26.682 26.568 -23.850 1024 H1* C 370 H1* C 370 28.180 24.828 -24.742 1025 1H4 C 370 1H4 C 370 32.467 20.481 -22.921 1026 2H4 C 370 2H4 C 370 33.618 21.750 -22.562 1027 H5 C 370 H5 C 370 33.125 24.054 -22.711 1028 H6 C 370 H6 C 370 31.390 25.726 -23.248 1029 1H5* A 371 1H5* A 371 25.598 28.265 -20.230 1030 2H5* A 371 2H5* A 371 25.792 28.422 -18.484 1031 H4* A 371 H4* A 371 24.094 26.758 -19.112 1032 H3* A 371 H3* A 371 26.501 25.900 -17.539 1033 H2* A 371 H2* A 371 25.627 23.691 -17.374 1034 2HO* A 371 2HO* A 371 23.391 24.873 -18.754 1035 H1* A 371 H1* A 371 25.125 23.476 -20.099 1036 H8 A 371 H8 A 371 28.218 25.459 -19.869 1037 1H6 A 371 1H6 A 371 31.340 20.112 -19.083 1038 2H6 A 371 2H6 A 371 31.516 21.824 -19.396 1039 H2 A 371 H2 A 371 26.996 19.254 -18.707 1040 1H5* G 372 1H5* G 372 23.141 24.314 -15.634 1041 2H5* G 372 2H5* G 372 23.035 24.931 -13.986 1042 H4* G 372 H4* G 372 22.670 22.651 -13.748 1043 H3* G 372 H3* G 372 25.512 23.342 -13.088 1044 H2* G 372 H2* G 372 25.977 21.072 -12.564 1045 2HO* G 372 2HO* G 372 24.242 19.788 -12.062 1046 H1* G 372 H1* G 372 24.794 20.104 -14.915 1047 H8 G 372 H8 G 372 26.623 23.237 -15.705 1048 H1 G 372 H1 G 372 30.490 18.062 -15.344 1049 1H2 G 372 1H2 G 372 29.445 16.475 -14.542 1050 2H2 G 372 2H2 G 372 27.770 16.538 -14.041 1051 1H5* G 373 1H5* G 373 23.829 21.186 -10.365 1052 2H5* G 373 2H5* G 373 23.735 21.530 -8.638 1053 H4* G 373 H4* G 373 24.571 19.353 -8.769 1054 H3* G 373 H3* G 373 26.747 21.342 -8.213 1055 H2* G 373 H2* G 373 28.350 19.593 -8.087 1056 2HO* G 373 2HO* G 373 26.178 17.786 -8.582 1057 H1* G 373 H1* G 373 27.579 18.406 -10.470 1058 H8 G 373 H8 G 373 27.117 22.032 -10.991 1059 H1 G 373 H1 G 373 33.317 20.222 -11.403 1060 1H2 G 373 1H2 G 373 33.517 18.289 -10.711 1061 2H2 G 373 2H2 G 373 32.201 17.306 -10.109 1062 1H5* G 374 1H5* G 374 26.828 18.069 -5.741 1063 2H5* G 374 2H5* G 374 27.123 18.330 -4.022 1064 H4* G 374 H4* G 374 28.657 16.683 -4.744 1065 H3* G 374 H3* G 374 29.874 19.362 -4.214 1066 H2* G 374 H2* G 374 32.040 18.562 -4.792 1067 2HO* G 374 2HO* G 374 30.804 16.031 -5.324 1068 H1* G 374 H1* G 374 31.139 17.415 -7.194 1069 H8 G 374 H8 G 374 29.402 20.654 -6.761 1070 H1 G 374 H1 G 374 35.450 21.321 -8.965 1071 1H2 G 374 1H2 G 374 36.447 19.523 -8.799 1072 2H2 G 374 2H2 G 374 35.747 18.053 -8.157 1073 1H5* U 375 1H5* U 375 32.530 16.826 -2.736 1074 2H5* U 375 2H5* U 375 32.858 17.069 -1.020 1075 H4* U 375 H4* U 375 34.959 17.077 -2.043 1076 H3* U 375 H3* U 375 34.024 19.859 -1.414 1077 H2* U 375 H2* U 375 36.042 20.764 -2.252 1078 2HO* U 375 2HO* U 375 37.659 18.999 -2.904 1079 H1* U 375 H1* U 375 35.992 19.034 -4.531 1080 H3 U 375 H3 U 375 35.719 23.060 -6.551 1081 H5 U 375 H5 U 375 32.061 22.735 -4.536 1082 H6 U 375 H6 U 375 32.914 20.670 -3.525 1083 1H5* U 376 1H5* U 376 37.929 19.319 0.286 1084 2H5* U 376 2H5* U 376 38.184 20.303 1.727 1085 H4* U 376 H4* U 376 39.765 20.832 -0.077 1086 H3* U 376 H3* U 376 37.877 22.983 0.861 1087 H2* U 376 H2* U 376 38.986 24.544 -0.529 1088 2HO* U 376 2HO* U 376 41.108 24.066 -0.457 1089 H1* U 376 H1* U 376 39.105 22.687 -2.700 1090 H3 U 376 H3 U 376 36.639 26.293 -4.105 1091 H5 U 376 H5 U 376 33.973 23.915 -1.921 1092 H6 U 376 H6 U 376 35.899 22.570 -1.221 1093 2H ALA 1 HN ALA 1 67.246 23.240 -42.519 1094 HA ALA 1 HA ALA 1 66.205 21.742 -41.034 1095 1HB ALA 1 1HB ALA 1 67.273 22.330 -38.511 1096 2HB ALA 1 2HB ALA 1 67.583 20.869 -39.481 1097 3HB ALA 1 3HB ALA 1 68.691 22.259 -39.586 1098 H THR 2 HN THR 2 64.594 22.325 -39.284 1099 HA THR 2 HA THR 2 64.407 25.079 -38.531 1100 HB THR 2 HB THR 2 62.608 23.925 -40.723 1101 HG1 THR 2 HG1 THR 2 64.356 26.250 -40.316 1102 1HG2 THR 2 1HG2 THR 2 61.312 25.978 -40.592 1103 2HG2 THR 2 2HG2 THR 2 61.337 25.298 -38.947 1104 3HG2 THR 2 3HG2 THR 2 62.407 26.658 -39.365 1105 H VAL 3 HN VAL 3 63.503 25.152 -36.572 1106 HA VAL 3 HA VAL 3 61.197 23.729 -35.899 1107 HB VAL 3 HB VAL 3 62.878 21.850 -36.051 1108 1HG1 VAL 3 1HG1 VAL 3 64.043 23.359 -33.703 1109 2HG1 VAL 3 2HG1 VAL 3 64.297 21.611 -33.928 1110 3HG1 VAL 3 3HG1 VAL 3 64.866 22.760 -35.163 1111 1HG2 VAL 3 1HG2 VAL 3 61.119 21.048 -34.885 1112 2HG2 VAL 3 2HG2 VAL 3 62.210 21.189 -33.485 1113 3HG2 VAL 3 3HG2 VAL 3 61.033 22.479 -33.830 1114 H VAL 4 HN VAL 4 60.305 24.635 -34.051 1115 HA VAL 4 HA VAL 4 61.868 25.806 -32.027 1116 HB VAL 4 HB VAL 4 62.284 27.435 -33.845 1117 1HG1 VAL 4 1HG1 VAL 4 59.873 27.075 -34.782 1118 2HG1 VAL 4 2HG1 VAL 4 59.423 28.345 -33.619 1119 3HG1 VAL 4 3HG1 VAL 4 60.625 28.685 -34.888 1120 1HG2 VAL 4 1HG2 VAL 4 61.383 29.468 -32.479 1121 2HG2 VAL 4 2HG2 VAL 4 60.841 28.228 -31.323 1122 3HG2 VAL 4 3HG2 VAL 4 62.568 28.369 -31.735 1123 H SER 5 HN SER 5 60.631 25.510 -30.251 1124 HA SER 5 HA SER 5 58.213 26.503 -29.792 1125 1HB SER 5 2HB SER 5 57.965 24.215 -31.607 1126 2HB SER 5 3HB SER 5 57.082 23.934 -30.119 1127 HG SER 5 HG SER 5 55.927 25.099 -31.930 1128 H GLY 6 HN GLY 6 57.294 25.709 -27.730 1129 1HA GLY 6 1HA GLY 6 59.033 23.726 -26.387 1130 2HA GLY 6 2HA GLY 6 58.564 25.237 -25.634 1131 H GLN 7 HN GLN 7 57.816 23.336 -24.057 1132 HA GLN 7 HA GLN 7 55.080 23.448 -23.976 1133 1HB GLN 7 2HB GLN 7 54.445 21.087 -24.481 1134 2HB GLN 7 3HB GLN 7 55.020 21.942 -25.898 1135 1HG GLN 7 2HG GLN 7 56.834 20.571 -26.135 1136 2HG GLN 7 3HG GLN 7 57.214 20.624 -24.425 1137 1HE2 GLN 7 1HE2 GLN 7 57.668 18.311 -25.318 1138 2HE2 GLN 7 2HE2 GLN 7 56.431 17.136 -25.020 1139 H LYS 8 HN LYS 8 54.206 22.276 -22.070 1140 HA LYS 8 HA LYS 8 55.812 20.598 -20.512 1141 1HB LYS 8 2HB LYS 8 56.629 23.280 -20.339 1142 2HB LYS 8 3HB LYS 8 55.685 23.004 -18.889 1143 1HG LYS 8 2HG LYS 8 57.531 22.005 -18.017 1144 2HG LYS 8 3HG LYS 8 57.202 20.660 -19.090 1145 1HD LYS 8 2HD LYS 8 59.115 21.081 -20.226 1146 2HD LYS 8 3HD LYS 8 58.515 22.669 -20.664 1147 1HE LYS 8 2HE LYS 8 59.296 22.906 -17.941 1148 2HE LYS 8 3HE LYS 8 60.557 21.949 -18.693 1149 1HZ LYS 8 1HZ LYS 8 61.210 23.677 -19.908 1150 2HZ LYS 8 2HZ LYS 8 59.698 24.191 -20.248 1151 3HZ LYS 8 3HZ LYS 8 60.398 24.596 -18.829 1152 H GLN 9 HN GLN 9 54.656 19.837 -18.648 1153 HA GLN 9 HA GLN 9 52.403 21.031 -17.650 1154 1HB GLN 9 2HB GLN 9 51.731 20.308 -20.155 1155 2HB GLN 9 3HB GLN 9 51.447 18.763 -19.379 1156 1HG GLN 9 2HG GLN 9 50.271 20.611 -17.612 1157 2HG GLN 9 3HG GLN 9 49.889 21.259 -19.195 1158 1HE2 GLN 9 1HE2 GLN 9 48.182 20.027 -17.170 1159 2HE2 GLN 9 2HE2 GLN 9 47.371 18.693 -17.920 1160 H ASP 10 HN ASP 10 53.086 20.247 -15.658 1161 HA ASP 10 HA ASP 10 52.328 17.717 -14.931 1162 1HB ASP 10 2HB ASP 10 54.504 17.287 -16.371 1163 2HB ASP 10 3HB ASP 10 55.359 17.896 -14.968 1164 H ARG 11 HN ARG 11 52.526 17.520 -12.588 1165 HA ARG 11 HA ARG 11 54.330 18.989 -11.106 1166 1HB ARG 11 2HB ARG 11 52.559 20.776 -12.061 1167 2HB ARG 11 3HB ARG 11 51.576 20.187 -10.736 1168 1HG ARG 11 2HG ARG 11 52.726 21.924 -9.677 1169 2HG ARG 11 3HG ARG 11 53.763 20.566 -9.287 1170 1HD ARG 11 2HD ARG 11 54.421 21.817 -11.895 1171 2HD ARG 11 3HD ARG 11 54.585 22.920 -10.543 1172 HE ARG 11 HE ARG 11 55.855 20.688 -9.587 1173 1HH1 ARG 11 2HH2 ARG 11 56.142 22.443 -12.623 1174 2HH1 ARG 11 1HH2 ARG 11 57.808 22.031 -12.852 1175 1HH2 ARG 11 2HH1 ARG 11 58.055 20.144 -9.888 1176 2HH2 ARG 11 1HH1 ARG 11 58.904 20.715 -11.286 1177 H GLN 12 HN GLN 12 50.739 18.433 -10.783 1178 HA GLN 12 HA GLN 12 49.565 17.301 -9.346 1179 1HB GLN 12 2HB GLN 12 51.775 15.466 -10.095 1180 2HB GLN 12 3HB GLN 12 50.948 15.017 -8.616 1181 1HG GLN 12 2HG GLN 12 48.762 15.547 -10.105 1182 2HG GLN 12 3HG GLN 12 49.862 15.196 -11.423 1183 1HE2 GLN 12 1HE2 GLN 12 47.574 13.698 -10.688 1184 2HE2 GLN 12 2HE2 GLN 12 48.068 12.102 -10.227 1185 H GLY 13 HN GLY 13 49.520 16.249 -7.018 1186 1HA GLY 13 1HA GLY 13 51.401 16.371 -5.115 1187 2HA GLY 13 2HA GLY 13 50.982 18.064 -5.289 1188 H GLY 14 HN GLY 14 50.525 16.281 -2.960 1189 1HA GLY 14 1HA GLY 14 48.925 15.825 -1.450 1190 2HA GLY 14 2HA GLY 14 48.000 17.120 -2.184 1191 H GLU 15 HN GLU 15 46.755 14.813 -1.090 1192 HA GLU 15 HA GLU 15 45.354 13.960 -3.415 1193 1HB GLU 15 2HB GLU 15 45.626 11.474 -2.732 1194 2HB GLU 15 3HB GLU 15 46.949 12.226 -3.600 1195 1HG GLU 15 2HG GLU 15 47.628 12.825 -0.987 1196 2HG GLU 15 3HG GLU 15 46.831 11.279 -0.777 1197 H ARG 16 HN ARG 16 45.945 12.949 0.037 1198 HA ARG 16 HA ARG 16 43.695 14.081 1.042 1199 1HB ARG 16 2HB ARG 16 42.840 12.049 -0.610 1200 2HB ARG 16 3HB ARG 16 43.005 11.168 0.897 1201 1HG ARG 16 2HG ARG 16 40.791 11.959 1.028 1202 2HG ARG 16 3HG ARG 16 41.664 13.154 1.966 1203 1HD ARG 16 2HD ARG 16 41.451 14.813 0.329 1204 2HD ARG 16 3HD ARG 16 41.406 13.662 -0.992 1205 HE ARG 16 HE ARG 16 39.127 14.734 0.354 1206 1HH1 ARG 16 2HH2 ARG 16 40.321 11.650 -0.848 1207 2HH1 ARG 16 1HH2 ARG 16 38.739 10.997 -1.116 1208 1HH2 ARG 16 2HH1 ARG 16 37.040 13.873 -0.000 1209 2HH2 ARG 16 1HH1 ARG 16 36.861 12.270 -0.631 1210 H ARG 17 HN ARG 17 45.504 14.329 2.592 1211 HA ARG 17 HA ARG 17 45.310 12.606 4.710 1212 1HB ARG 17 2HB ARG 17 47.216 11.713 2.685 1213 2HB ARG 17 3HB ARG 17 48.078 12.111 4.159 1214 1HG ARG 17 2HG ARG 17 45.552 10.515 4.473 1215 2HG ARG 17 3HG ARG 17 46.912 9.690 3.738 1216 1HD ARG 17 2HD ARG 17 48.231 10.823 5.817 1217 2HD ARG 17 3HD ARG 17 46.633 10.778 6.534 1218 HE ARG 17 HE ARG 17 48.310 8.458 5.832 1219 1HH1 ARG 17 2HH2 ARG 17 45.098 9.592 6.714 1220 2HH1 ARG 17 1HH2 ARG 17 44.562 8.040 7.266 1221 1HH2 ARG 17 2HH1 ARG 17 47.604 6.410 6.561 1222 2HH2 ARG 17 1HH1 ARG 17 45.997 6.218 7.180 1223 H ARG 18 HN ARG 18 46.936 13.213 6.485 1224 HA ARG 18 HA ARG 18 48.284 15.701 5.864 1225 1HB ARG 18 2HB ARG 18 46.189 15.224 8.007 1226 2HB ARG 18 3HB ARG 18 47.453 16.403 8.297 1227 1HG ARG 18 2HG ARG 18 46.646 17.876 6.707 1228 2HG ARG 18 3HG ARG 18 46.123 16.598 5.627 1229 1HD ARG 18 2HD ARG 18 44.472 16.312 7.914 1230 2HD ARG 18 3HD ARG 18 44.584 18.043 7.669 1231 HE ARG 18 HE ARG 18 44.091 17.187 5.124 1232 1HH1 ARG 18 2HH2 ARG 18 42.547 16.389 8.184 1233 2HH1 ARG 18 1HH2 ARG 18 41.000 16.079 7.469 1234 1HH2 ARG 18 2HH1 ARG 18 42.050 16.779 4.180 1235 2HH2 ARG 18 1HH1 ARG 18 40.716 16.302 5.176 1236 H SER 19 HN SER 19 50.101 14.026 5.889 1237 HA SER 19 HA SER 19 50.762 12.436 7.931 1238 1HB SER 19 2HB SER 19 51.997 13.248 5.638 1239 2HB SER 19 3HB SER 19 53.019 14.052 6.813 1240 HG SER 19 HG SER 19 52.507 11.464 7.617 1241 H GLN 20 HN GLN 20 49.625 14.049 9.616 1242 HA GLN 20 HA GLN 20 49.970 14.961 11.579 1243 1HB GLN 20 2HB GLN 20 52.470 13.975 11.166 1244 2HB GLN 20 3HB GLN 20 52.848 15.687 11.176 1245 1HG GLN 20 2HG GLN 20 52.032 15.987 13.397 1246 2HG GLN 20 3HG GLN 20 51.098 14.505 13.356 1247 1HE2 GLN 20 1HE2 GLN 20 54.359 15.843 13.370 1248 2HE2 GLN 20 2HE2 GLN 20 55.164 14.495 14.102 1249 H LEU 21 HN LEU 21 48.797 16.429 9.659 1250 HA LEU 21 HA LEU 21 50.221 18.934 9.363 1251 1HB LEU 21 2HB LEU 21 48.779 17.660 7.607 1252 2HB LEU 21 3HB LEU 21 47.422 18.396 8.434 1253 HG LEU 21 HG LEU 21 49.423 19.591 6.624 1254 1HD1 LEU 21 1HD1 LEU 21 47.416 21.199 6.347 1255 2HD1 LEU 21 2HD1 LEU 21 47.264 19.521 5.771 1256 3HD1 LEU 21 3HD1 LEU 21 46.524 20.002 7.317 1257 1HD2 LEU 21 1HD2 LEU 21 48.628 20.961 9.190 1258 2HD2 LEU 21 2HD2 LEU 21 50.242 20.789 8.459 1259 3HD2 LEU 21 3HD2 LEU 21 49.042 21.880 7.723 1260 H ASP 22 HN ASP 22 50.182 20.410 10.965 1261 HA ASP 22 HA ASP 22 48.202 20.192 12.987 1262 1HB ASP 22 2HB ASP 22 50.699 20.943 13.188 1263 2HB ASP 22 3HB ASP 22 50.152 22.498 12.594 1264 H ARG 23 HN ARG 23 46.658 21.950 13.538 1265 HA ARG 23 HA ARG 23 45.466 23.040 11.272 1266 1HB ARG 23 2HB ARG 23 45.081 23.571 14.256 1267 2HB ARG 23 3HB ARG 23 44.061 24.304 13.035 1268 1HG ARG 23 2HG ARG 23 44.453 21.296 13.405 1269 2HG ARG 23 3HG ARG 23 43.070 22.204 13.982 1270 1HD ARG 23 2HD ARG 23 43.483 22.809 11.168 1271 2HD ARG 23 3HD ARG 23 43.461 21.070 11.376 1272 HE ARG 23 HE ARG 23 41.314 22.230 12.897 1273 1HH1 ARG 23 2HH2 ARG 23 42.261 21.564 9.574 1274 2HH1 ARG 23 1HH2 ARG 23 40.631 21.455 8.996 1275 1HH2 ARG 23 2HH1 ARG 23 39.164 22.087 12.135 1276 2HH2 ARG 23 1HH1 ARG 23 38.857 21.755 10.463 1277 H ASP 24 HN ASP 24 48.260 23.968 12.925 1278 HA ASP 24 HA ASP 24 47.884 26.727 12.062 1279 1HB ASP 24 2HB ASP 24 48.314 25.876 14.672 1280 2HB ASP 24 3HB ASP 24 49.950 26.209 14.139 1281 H GLN 25 HN GLN 25 48.981 24.221 10.710 1282 HA GLN 25 HA GLN 25 51.751 25.094 10.441 1283 1HB GLN 25 2HB GLN 25 50.497 22.421 10.629 1284 2HB GLN 25 3HB GLN 25 51.627 22.559 9.296 1285 1HG GLN 25 2HG GLN 25 53.362 23.455 10.881 1286 2HG GLN 25 3HG GLN 25 52.232 23.267 12.207 1287 1HE2 GLN 25 1HE2 GLN 25 54.873 22.018 11.439 1288 2HE2 GLN 25 2HE2 GLN 25 54.638 20.308 11.584 1289 H CYS 26 HN CYS 26 52.561 24.133 8.067 1290 HA CYS 26 HA CYS 26 50.715 25.425 6.215 1291 1HB CYS 26 2HB CYS 26 53.004 26.356 6.360 1292 2HB CYS 26 3HB CYS 26 53.671 24.805 5.891 1293 H ALA 27 HN ALA 27 49.814 24.250 4.499 1294 HA ALA 27 HA ALA 27 50.298 21.375 4.585 1295 1HB ALA 27 1HB ALA 27 47.979 22.284 4.777 1296 2HB ALA 27 2HB ALA 27 48.153 22.997 3.155 1297 3HB ALA 27 3HB ALA 27 48.191 21.228 3.360 1298 H TYR 28 HN TYR 28 52.191 23.470 3.419 1299 HA TYR 28 HA TYR 28 52.238 22.354 0.697 1300 1HB TYR 28 2HB TYR 28 51.630 24.880 1.101 1301 2HB TYR 28 3HB TYR 28 53.261 25.073 1.712 1302 HD1 TYR 28 HD1 TYR 28 51.236 25.376 -1.133 1303 HD2 TYR 28 HD2 TYR 28 55.163 24.155 0.049 1304 HE1 TYR 28 HE1 TYR 28 52.082 25.780 -3.496 1305 HE2 TYR 28 HE2 TYR 28 55.994 24.563 -2.319 1306 HH TYR 28 HH TYR 28 55.109 24.651 -4.545 1307 H CYS 29 HN CYS 29 54.354 24.188 3.023 1308 HA CYS 29 HA CYS 29 56.557 22.509 2.143 1309 1HB CYS 29 2HB CYS 29 57.980 24.146 3.362 1310 2HB CYS 29 3HB CYS 29 57.023 24.870 2.086 1311 H LYS 30 HN LYS 30 54.216 22.942 4.689 1312 HA LYS 30 HA LYS 30 53.815 21.450 6.349 1313 1HB LYS 30 2HB LYS 30 55.835 20.090 5.186 1314 2HB LYS 30 3HB LYS 30 56.630 20.547 6.679 1315 1HG LYS 30 2HG LYS 30 55.460 18.361 6.901 1316 2HG LYS 30 3HG LYS 30 54.816 19.550 8.015 1317 1HD LYS 30 2HD LYS 30 53.116 18.115 6.661 1318 2HD LYS 30 3HD LYS 30 52.821 19.839 6.773 1319 1HE LYS 30 2HE LYS 30 53.419 20.236 4.539 1320 2HE LYS 30 3HE LYS 30 54.500 18.859 4.467 1321 1HZ LYS 30 1HZ LYS 30 52.113 17.727 4.922 1322 2HZ LYS 30 2HZ LYS 30 51.707 18.975 3.951 1323 3HZ LYS 30 3HZ LYS 30 52.810 17.880 3.454 1324 H GLU 31 HN GLU 31 56.308 23.856 6.081 1325 HA GLU 31 HA GLU 31 57.217 24.141 8.591 1326 1HB GLU 31 2HB GLU 31 56.538 26.109 6.409 1327 2HB GLU 31 3HB GLU 31 57.022 26.736 7.972 1328 1HG GLU 31 2HG GLU 31 59.082 26.545 6.835 1329 2HG GLU 31 3HG GLU 31 59.042 25.081 7.796 1330 H LYS 32 HN LYS 32 56.535 25.150 10.542 1331 HA LYS 32 HA LYS 32 53.634 25.418 10.725 1332 1HB LYS 32 2HB LYS 32 53.894 25.028 13.074 1333 2HB LYS 32 3HB LYS 32 54.805 23.805 12.211 1334 1HG LYS 32 2HG LYS 32 56.630 25.949 12.560 1335 2HG LYS 32 3HG LYS 32 55.764 25.850 14.081 1336 1HD LYS 32 2HD LYS 32 56.232 23.343 14.102 1337 2HD LYS 32 3HD LYS 32 57.236 23.568 12.683 1338 1HE LYS 32 2HE LYS 32 58.976 24.169 14.005 1339 2HE LYS 32 3HE LYS 32 58.064 25.545 14.590 1340 1HZ LYS 32 1HZ LYS 32 58.833 23.605 16.152 1341 2HZ LYS 32 2HZ LYS 32 57.459 24.441 16.435 1342 3HZ LYS 32 3HZ LYS 32 57.390 22.975 15.719 1343 H GLY 33 HN GLY 33 52.626 27.332 11.264 1344 1HA GLY 33 1HA GLY 33 53.043 29.460 12.547 1345 2HA GLY 33 2HA GLY 33 54.411 29.678 11.472 1346 H HIS 34 HN HIS 34 53.420 28.824 8.989 1347 HA HIS 34 HA HIS 34 51.206 30.703 8.592 1348 1HB HIS 34 2HB HIS 34 52.139 31.311 6.477 1349 2HB HIS 34 3HB HIS 34 53.383 31.487 7.699 1350 HD1 HIS 34 HD1 HIS 34 55.472 29.973 7.530 1351 HD2 HIS 34 HD2 HIS 34 52.557 29.172 4.621 1352 HE1 HIS 34 HE1 HIS 34 56.572 28.429 5.821 1353 H TRP 35 HN TRP 35 49.886 30.180 6.551 1354 HA TRP 35 HA TRP 35 49.445 27.287 6.541 1355 1HB TRP 35 2HB TRP 35 47.718 29.682 6.240 1356 2HB TRP 35 3HB TRP 35 47.302 28.285 5.266 1357 HD1 TRP 35 HD1 TRP 35 48.450 28.441 9.010 1358 HE1 TRP 35 HE1 TRP 35 46.747 27.136 10.546 1359 HE3 TRP 35 HE3 TRP 35 45.218 27.213 5.282 1360 HZ2 TRP 35 HZ2 TRP 35 44.295 25.767 10.041 1361 HZ3 TRP 35 HZ3 TRP 35 43.193 25.890 5.889 1362 HH2 TRP 35 HH2 TRP 35 42.708 25.171 8.173 1363 H ALA 36 HN ALA 36 48.706 26.420 4.304 1364 HA ALA 36 HA ALA 36 50.763 26.825 2.474 1365 1HB ALA 36 1HB ALA 36 48.047 25.770 1.688 1366 2HB ALA 36 2HB ALA 36 49.664 25.198 1.209 1367 3HB ALA 36 3HB ALA 36 49.052 24.866 2.847 1368 H LYS 37 HN LYS 37 47.542 28.331 2.860 1369 HA LYS 37 HA LYS 37 47.543 29.580 0.324 1370 1HB LYS 37 2HB LYS 37 46.020 30.356 2.827 1371 2HB LYS 37 3HB LYS 37 45.639 30.819 1.180 1372 1HG LYS 37 2HG LYS 37 45.799 27.902 2.054 1373 2HG LYS 37 3HG LYS 37 44.316 28.827 2.159 1374 1HD LYS 37 2HD LYS 37 44.685 29.387 -0.359 1375 2HD LYS 37 3HD LYS 37 45.890 28.116 -0.347 1376 1HE LYS 37 2HE LYS 37 43.641 26.973 0.945 1377 2HE LYS 37 3HE LYS 37 42.965 27.890 -0.386 1378 1HZ LYS 37 1HZ LYS 37 45.093 26.675 -1.489 1379 2HZ LYS 37 2HZ LYS 37 44.546 25.533 -0.458 1380 3HZ LYS 37 3HZ LYS 37 43.551 26.151 -1.596 1381 H ASP 38 HN ASP 38 49.544 29.979 3.014 1382 HA ASP 38 HA ASP 38 50.129 32.689 2.123 1383 1HB ASP 38 2HB ASP 38 49.104 32.050 4.623 1384 2HB ASP 38 3HB ASP 38 50.827 32.024 4.939 1385 H CYS 39 HN CYS 39 51.183 29.874 1.510 1386 HA CYS 39 HA CYS 39 53.645 29.603 2.877 1387 1HB CYS 39 2HB CYS 39 52.363 27.721 1.811 1388 2HB CYS 39 3HB CYS 39 52.819 28.350 0.239 1389 HA PRO 40 HA PRO 40 55.806 32.517 0.433 1390 1HB PRO 40 2HB PRO 40 58.337 32.041 1.346 1391 2HB PRO 40 3HB PRO 40 57.193 33.068 2.186 1392 1HG PRO 40 2HG PRO 40 58.059 30.323 2.859 1393 2HG PRO 40 3HG PRO 40 57.268 31.506 3.882 1394 1HD PRO 40 2HD PRO 40 56.053 29.222 2.644 1395 2HD PRO 40 3HD PRO 40 55.241 30.468 3.571 1396 H LYS 41 HN LYS 41 55.707 29.319 -0.061 1397 HA LYS 41 HA LYS 41 57.810 29.337 -2.070 1398 1HB LYS 41 2HB LYS 41 56.302 27.278 -0.558 1399 2HB LYS 41 3HB LYS 41 56.688 26.864 -2.216 1400 1HG LYS 41 2HG LYS 41 58.871 26.525 -1.698 1401 2HG LYS 41 3HG LYS 41 59.005 28.118 -0.980 1402 1HD LYS 41 2HD LYS 41 58.981 27.239 1.110 1403 2HD LYS 41 3HD LYS 41 57.456 26.435 0.800 1404 1HE LYS 41 2HE LYS 41 58.499 24.441 0.053 1405 2HE LYS 41 3HE LYS 41 60.001 25.253 -0.339 1406 1HZ LYS 41 1HZ LYS 41 59.664 23.891 1.864 1407 2HZ LYS 41 2HZ LYS 41 60.676 25.169 1.785 1408 3HZ LYS 41 3HZ LYS 41 59.183 25.348 2.424 1409 H LYS 42 HN LYS 42 54.388 29.861 -1.701 1410 HA LYS 42 HA LYS 42 53.308 28.945 -4.009 1411 1HB LYS 42 2HB LYS 42 52.777 31.182 -2.155 1412 2HB LYS 42 3HB LYS 42 52.093 31.384 -3.754 1413 1HG LYS 42 2HG LYS 42 51.585 28.674 -3.093 1414 2HG LYS 42 3HG LYS 42 51.277 29.559 -1.612 1415 1HD LYS 42 2HD LYS 42 50.118 31.126 -3.694 1416 2HD LYS 42 3HD LYS 42 49.687 29.466 -4.058 1417 1HE LYS 42 2HE LYS 42 49.206 29.486 -1.359 1418 2HE LYS 42 3HE LYS 42 48.884 31.169 -1.730 1419 1HZ LYS 42 1HZ LYS 42 47.174 29.133 -2.111 1420 2HZ LYS 42 2HZ LYS 42 47.041 30.610 -2.793 1421 3HZ LYS 42 3HZ LYS 42 47.736 29.387 -3.622 1422 HA PRO 43 HA PRO 43 55.902 31.076 -6.865 1423 1HB PRO 43 2HB PRO 43 55.472 29.398 -8.978 1424 2HB PRO 43 3HB PRO 43 56.738 29.143 -7.793 1425 1HG PRO 43 2HG PRO 43 54.162 27.723 -8.089 1426 2HG PRO 43 3HG PRO 43 55.596 27.224 -7.215 1427 1HD PRO 43 2HD PRO 43 53.180 28.284 -6.087 1428 2HD PRO 43 3HD PRO 43 54.656 27.894 -5.226 1429 H ARG 44 HN ARG 44 55.577 32.751 -8.251 1430 HA ARG 44 HA ARG 44 52.952 32.747 -9.467 1431 1HB ARG 44 2HB ARG 44 53.995 34.687 -7.441 1432 2HB ARG 44 3HB ARG 44 53.220 35.418 -8.832 1433 1HG ARG 44 2HG ARG 44 51.227 33.881 -8.450 1434 2HG ARG 44 3HG ARG 44 51.997 33.323 -6.978 1435 1HD ARG 44 2HD ARG 44 52.041 36.207 -6.934 1436 2HD ARG 44 3HD ARG 44 50.419 35.713 -7.380 1437 HE ARG 44 HE ARG 44 50.919 34.039 -5.281 1438 1HH1 ARG 44 2HH2 ARG 44 51.371 37.509 -5.650 1439 2HH1 ARG 44 1HH2 ARG 44 51.130 37.848 -3.967 1440 1HH2 ARG 44 2HH1 ARG 44 50.602 34.485 -3.063 1441 2HH2 ARG 44 1HH1 ARG 44 50.690 36.116 -2.486 1442 H GLY 45 HN GLY 45 52.863 33.953 -11.473 1443 1HA GLY 45 1HA GLY 45 55.446 35.065 -12.378 1444 2HA GLY 45 2HA GLY 45 54.555 33.914 -13.352 1445 HA PRO 46 HA PRO 46 55.320 34.899 -14.909 1446 1HB PRO 46 2HB PRO 46 56.229 36.763 -16.689 1447 2HB PRO 46 3HB PRO 46 54.946 35.630 -17.060 1448 1HG PRO 46 2HG PRO 46 54.750 38.516 -16.450 1449 2HG PRO 46 3HG PRO 46 53.572 37.475 -17.226 1450 1HD PRO 46 2HD PRO 46 53.510 38.418 -14.517 1451 2HD PRO 46 3HD PRO 46 52.397 37.286 -15.259 1452 H ARG 47 HN ARG 47 57.427 34.540 -14.384 1453 HA ARG 47 HA ARG 47 58.878 36.847 -13.511 1454 1HB ARG 47 2HB ARG 47 57.494 35.582 -11.542 1455 2HB ARG 47 3HB ARG 47 58.910 34.550 -11.559 1456 1HG ARG 47 2HG ARG 47 60.389 36.495 -11.201 1457 2HG ARG 47 3HG ARG 47 59.030 37.593 -11.325 1458 1HD ARG 47 2HD ARG 47 59.107 35.382 -9.229 1459 2HD ARG 47 3HD ARG 47 59.828 36.952 -8.935 1460 HE ARG 47 HE ARG 47 57.223 37.473 -9.880 1461 1HH1 ARG 47 2HH2 ARG 47 58.689 35.825 -7.137 1462 2HH1 ARG 47 1HH2 ARG 47 57.355 36.133 -6.076 1463 1HH2 ARG 47 2HH1 ARG 47 55.464 37.879 -8.480 1464 2HH2 ARG 47 1HH1 ARG 47 55.508 37.310 -6.845 1465 H GLY 48 HN GLY 48 60.647 36.545 -14.856 1466 1HA GLY 48 1HA GLY 48 62.166 34.068 -14.541 1467 2HA GLY 48 2HA GLY 48 61.593 34.454 -16.151 1468 HA PRO 49 HA PRO 49 65.156 37.272 -14.753 1469 1HB PRO 49 2HB PRO 49 67.316 35.775 -14.002 1470 2HB PRO 49 3HB PRO 49 66.229 36.532 -12.854 1471 1HG PRO 49 2HG PRO 49 66.427 33.683 -13.619 1472 2HG PRO 49 3HG PRO 49 65.670 34.390 -12.205 1473 1HD PRO 49 2HD PRO 49 64.341 33.385 -14.540 1474 2HD PRO 49 3HD PRO 49 63.596 34.197 -13.177 1475 H ARG 50 HN ARG 50 67.187 37.841 -15.894 1476 HA ARG 50 HA ARG 50 67.717 36.011 -18.040 1477 1HB ARG 50 2HB ARG 50 65.843 37.918 -18.563 1478 2HB ARG 50 3HB ARG 50 67.279 38.866 -18.893 1479 1HG ARG 50 2HG ARG 50 67.630 37.797 -20.867 1480 2HG ARG 50 3HG ARG 50 67.548 36.223 -20.100 1481 1HD ARG 50 2HD ARG 50 64.989 36.458 -20.114 1482 2HD ARG 50 3HD ARG 50 65.194 37.893 -21.100 1483 HE ARG 50 HE ARG 50 66.688 35.723 -22.258 1484 1HH1 ARG 50 2HH2 ARG 50 63.381 36.841 -21.813 1485 2HH1 ARG 50 1HH2 ARG 50 62.783 36.036 -23.225 1486 1HH2 ARG 50 2HH1 ARG 50 65.899 34.661 -24.122 1487 2HH2 ARG 50 1HH1 ARG 50 64.225 34.788 -24.547 1488 HA PRO 51 HA PRO 51 71.578 37.823 -16.916 1489 1HB PRO 51 2HB PRO 51 73.192 36.044 -18.220 1490 2HB PRO 51 3HB PRO 51 72.571 35.769 -16.604 1491 1HG PRO 51 2HG PRO 51 71.711 34.545 -19.155 1492 2HG PRO 51 3HG PRO 51 71.416 33.993 -17.518 1493 1HD PRO 51 2HD PRO 51 69.549 35.319 -19.245 1494 2HD PRO 51 3HD PRO 51 69.291 34.872 -17.570 1495 H GLN 52 HN GLN 52 73.764 38.365 -18.157 1496 HA GLN 52 HA GLN 52 72.770 39.662 -20.572 1497 1HB GLN 52 2HB GLN 52 73.622 41.056 -18.552 1498 2HB GLN 52 3HB GLN 52 75.226 40.507 -18.994 1499 1HG GLN 52 2HG GLN 52 75.262 41.733 -20.977 1500 2HG GLN 52 3HG GLN 52 73.528 41.623 -21.208 1501 1HE2 GLN 52 1HE2 GLN 52 72.225 43.196 -20.519 1502 2HE2 GLN 52 2HE2 GLN 52 72.717 44.616 -19.658 1503 H THR 53 HN THR 53 75.887 38.432 -19.138 1504 HA THR 53 HA THR 53 77.608 37.361 -20.051 1505 HB THR 53 HB THR 53 75.328 36.294 -21.791 1506 HG1 THR 53 HG1 THR 53 75.920 34.482 -20.176 1507 1HG2 THR 53 1HG2 THR 53 78.213 35.335 -21.442 1508 2HG2 THR 53 2HG2 THR 53 76.902 34.300 -22.058 1509 3HG2 THR 53 3HG2 THR 53 77.402 35.743 -22.973 1510 H SER 54 HN SER 54 79.152 37.284 -21.841 1511 HA SER 54 HA SER 54 78.504 39.048 -24.023 1512 1HB SER 54 2HB SER 54 80.362 40.550 -23.668 1513 2HB SER 54 3HB SER 54 79.440 40.499 -22.178 1514 HG SER 54 HG SER 54 81.295 39.992 -21.244 1515 H LEU 55 HN LEU 55 80.392 39.039 -25.683 1516 HA LEU 55 HA LEU 55 82.092 36.694 -25.411 1517 1HB LEU 55 2HB LEU 55 79.821 36.165 -26.537 1518 2HB LEU 55 3HB LEU 55 80.461 37.052 -27.907 1519 HG LEU 55 HG LEU 55 82.527 35.337 -27.408 1520 1HD1 LEU 55 1HD1 LEU 55 80.076 34.150 -26.238 1521 2HD1 LEU 55 2HD1 LEU 55 81.035 33.093 -27.302 1522 3HD1 LEU 55 3HD1 LEU 55 81.793 33.847 -25.880 1523 1HD2 LEU 55 1HD2 LEU 55 81.112 35.917 -29.526 1524 2HD2 LEU 55 2HD2 LEU 55 82.010 34.383 -29.442 1525 3HD2 LEU 55 3HD2 LEU 55 80.257 34.406 -29.135 1526 H LEU 56 HN LEU 56 83.935 36.741 -26.881 1527 HA LEU 56 HA LEU 56 85.549 37.730 -28.020 1528 1HB LEU 56 2HB LEU 56 83.476 38.349 -29.481 1529 2HB LEU 56 3HB LEU 56 83.746 39.969 -28.869 1530 HG LEU 56 HG LEU 56 84.783 39.662 -31.051 1531 1HD1 LEU 56 1HD1 LEU 56 86.949 39.868 -28.946 1532 2HD1 LEU 56 2HD1 LEU 56 86.935 40.585 -30.575 1533 3HD1 LEU 56 3HD1 LEU 56 85.803 41.173 -29.334 1534 1HD2 LEU 56 1HD2 LEU 56 86.557 37.562 -29.780 1535 2HD2 LEU 56 2HD2 LEU 56 85.172 37.213 -30.842 1536 3HD2 LEU 56 3HD2 LEU 56 86.571 38.115 -31.471 Start of MODEL 14 1 1H5* G 276 1H5* G 276 64.752 20.895 -21.548 2 2H5* G 276 2H5* G 276 66.258 20.229 -20.917 3 H4* G 276 H4* G 276 65.513 22.245 -19.716 4 H3* G 276 H3* G 276 65.823 19.654 -18.237 5 H2* G 276 H2* G 276 65.292 20.736 -16.186 6 2HO* G 276 2HO* G 276 65.302 23.058 -17.892 7 H1* G 276 H1* G 276 62.996 21.942 -17.189 8 H8 G 276 H8 G 276 63.133 18.662 -18.850 9 H1 G 276 H1 G 276 61.128 18.241 -12.711 10 1H2 G 276 1H2 G 276 61.476 20.031 -11.747 11 2H2 G 276 2H2 G 276 62.202 21.437 -12.493 12 1H5* G 277 1H5* G 277 67.369 22.201 -15.459 13 2H5* G 277 2H5* G 277 69.074 21.775 -15.308 14 H4* G 277 H4* G 277 68.237 21.812 -13.118 15 H3* G 277 H3* G 277 68.488 18.986 -14.139 16 H2* G 277 H2* G 277 67.938 18.196 -11.964 17 2HO* G 277 2HO* G 277 69.198 20.093 -11.144 18 H1* G 277 H1* G 277 65.758 19.985 -11.735 19 H8 G 277 H8 G 277 65.826 18.505 -15.140 20 H1 G 277 H1 G 277 63.144 14.602 -10.728 21 1H2 G 277 1H2 G 277 63.497 15.353 -8.840 22 2H2 G 277 2H2 G 277 64.386 16.822 -8.502 23 1H5* C 278 1H5* C 278 71.095 19.631 -10.886 24 2H5* C 278 2H5* C 278 72.446 18.528 -10.625 25 H4* C 278 H4* C 278 70.797 18.316 -8.859 26 H3* C 278 H3* C 278 71.147 15.939 -10.675 27 H2* C 278 H2* C 278 69.703 14.684 -9.268 28 2HO* C 278 2HO* C 278 69.845 17.065 -7.651 29 H1* C 278 H1* C 278 67.777 16.727 -9.144 30 1H4 C 278 1H4 C 278 65.708 12.856 -13.783 31 2H4 C 278 2H4 C 278 66.803 13.634 -14.904 32 H5 C 278 H5 C 278 68.385 15.272 -14.276 33 H6 C 278 H6 C 278 69.313 16.581 -12.400 34 1H5* G 279 1H5* G 279 72.458 14.733 -6.656 35 2H5* G 279 2H5* G 279 73.864 13.671 -6.736 36 H4* G 279 H4* G 279 72.182 12.558 -5.477 37 H3* G 279 H3* G 279 72.575 11.422 -8.238 38 H2* G 279 H2* G 279 71.082 9.650 -7.688 39 2HO* G 279 2HO* G 279 71.950 9.650 -5.489 40 H1* G 279 H1* G 279 69.150 11.416 -6.658 41 H8 G 279 H8 G 279 70.587 12.965 -9.690 42 H1 G 279 H1 G 279 66.214 8.392 -11.046 43 1H2 G 279 1H2 G 279 65.774 7.331 -9.334 44 2H2 G 279 2H2 G 279 66.484 7.634 -7.765 45 1H5* G 280 1H5* G 280 73.665 7.678 -5.570 46 2H5* G 280 2H5* G 280 74.944 7.051 -6.610 47 H4* G 280 H4* G 280 73.101 5.441 -6.125 48 H3* G 280 H3* G 280 73.844 6.161 -8.947 49 H2* G 280 H2* G 280 72.279 4.582 -9.772 50 2HO* G 280 2HO* G 280 71.589 2.981 -8.360 51 H1* G 280 H1* G 280 70.204 5.445 -8.132 52 H8 G 280 H8 G 280 72.001 8.524 -9.004 53 H1 G 280 H1 G 280 68.373 6.335 -13.896 54 1H2 G 280 1H2 G 280 67.747 4.413 -13.483 55 2H2 G 280 2H2 G 280 68.147 3.527 -12.028 56 1H5* U 281 1H5* U 281 73.317 2.488 -9.255 57 2H5* U 281 2H5* U 281 74.768 1.537 -9.578 58 H4* U 281 H4* U 281 73.281 0.764 -11.168 59 H3* U 281 H3* U 281 74.968 2.918 -12.443 60 H2* U 281 H2* U 281 73.962 2.408 -14.522 61 2HO* U 281 2HO* U 281 73.400 0.315 -14.740 62 H1* U 281 H1* U 281 71.365 2.220 -13.363 63 H3 U 281 H3 U 281 71.137 5.699 -16.308 64 H5 U 281 H5 U 281 73.088 7.275 -12.954 65 H6 U 281 H6 U 281 73.190 4.992 -12.063 66 2HO* AP7 282 2HO* A 282 74.744 -0.379 -18.424 67 H2* AP7 282 H2* A 282 75.933 2.216 -18.814 68 H3* AP7 282 H3* A 282 77.277 1.575 -16.974 69 H4* AP7 282 H4* A 282 75.590 -0.904 -16.662 70 H1* AP7 282 H1* A 282 73.528 1.524 -17.451 71 H8 AP7 282 H8 A 282 76.014 3.489 -15.427 72 H2 AP7 282 H2 A 282 71.510 5.101 -19.722 73 H1 AP7 282 H1 A 282 71.993 7.156 -18.922 74 1H6 AP7 282 1H6 A 282 73.143 8.611 -17.543 75 2H6 AP7 282 2H6 A 282 74.348 8.023 -16.418 76 2H5* AP7 282 2H5* A 282 77.644 -0.670 -15.306 77 1H5* AP7 282 1H5* A 282 76.172 -0.813 -14.345 78 1H5* C 283 1H5* C 283 77.817 -0.638 -20.722 79 2H5* C 283 2H5* C 283 79.122 0.032 -21.701 80 H4* C 283 H4* C 283 76.803 0.483 -22.537 81 H3* C 283 H3* C 283 78.752 2.715 -22.014 82 H2* C 283 H2* C 283 77.201 4.269 -22.915 83 2HO* C 283 2HO* C 283 75.774 3.450 -24.363 84 H1* C 283 H1* C 283 75.045 3.234 -21.439 85 1H4 C 283 1H4 C 283 77.333 8.237 -18.138 86 2H4 C 283 2H4 C 283 78.276 7.106 -17.192 87 H5 C 283 H5 C 283 78.438 4.800 -17.676 88 H6 C 283 H6 C 283 77.728 2.994 -19.204 89 1H5* U 284 1H5* U 284 77.387 3.365 -25.533 90 2H5* U 284 2H5* U 284 78.482 3.164 -26.902 91 H4* U 284 H4* U 284 77.440 5.160 -27.391 92 H3* U 284 H3* U 284 80.043 5.744 -26.006 93 H2* U 284 H2* U 284 79.665 8.074 -26.267 94 2HO* U 284 2HO* U 284 77.313 7.233 -27.700 95 H1* U 284 H1* U 284 77.050 7.967 -25.306 96 H3 U 284 H3 U 284 79.355 9.949 -21.932 97 H5 U 284 H5 U 284 80.304 5.886 -21.568 98 H6 U 284 H6 U 284 79.126 5.522 -23.687 99 1H5* A 285 1H5* A 285 80.099 8.329 -29.717 100 2H5* A 285 2H5* A 285 81.807 8.337 -30.156 101 H4* A 285 H4* A 285 80.794 10.588 -29.736 102 H3* A 285 H3* A 285 83.232 9.662 -28.232 103 H2* A 285 H2* A 285 83.419 11.814 -27.245 104 2HO* A 285 2HO* A 285 81.117 12.636 -28.715 105 H1* A 285 H1* A 285 80.701 11.936 -26.564 106 H8 A 285 H8 A 285 81.909 8.470 -26.004 107 1H6 A 285 1H6 A 285 83.936 10.369 -20.416 108 2H6 A 285 2H6 A 285 83.656 8.965 -21.420 109 H2 A 285 H2 A 285 82.741 13.955 -22.753 110 1H5* G 286 1H5* G 286 84.140 13.472 -29.737 111 2H5* G 286 2H5* G 286 85.757 13.476 -30.443 112 H4* G 286 H4* G 286 85.694 15.207 -28.829 113 H3* G 286 H3* G 286 87.228 12.792 -27.874 114 H2* G 286 H2* G 286 87.903 14.028 -25.966 115 2HO* G 286 2HO* G 286 86.645 16.383 -26.428 116 H1* G 286 H1* G 286 85.277 15.059 -25.569 117 H8 G 286 H8 G 286 85.105 11.427 -26.249 118 H1 G 286 H1 G 286 86.714 12.763 -20.124 119 1H2 G 286 1H2 G 286 87.164 14.768 -19.951 120 2H2 G 286 2H2 G 286 87.112 15.916 -21.270 121 1H5* U 287 1H5* U 287 89.367 16.164 -27.768 122 2H5* U 287 2H5* U 287 91.096 16.204 -28.109 123 H4* U 287 H4* U 287 90.793 17.073 -25.928 124 H3* U 287 H3* U 287 91.932 14.287 -25.946 125 H2* U 287 H2* U 287 92.182 14.380 -23.593 126 2HO* U 287 2HO* U 287 91.398 17.119 -24.017 127 H1* U 287 H1* U 287 89.594 15.524 -23.245 128 H3 U 287 H3 U 287 89.475 11.489 -21.106 129 H5 U 287 H5 U 287 89.022 10.562 -25.165 130 H6 U 287 H6 U 287 89.531 12.909 -25.657 131 1H5* U 288 1H5* U 288 94.218 16.344 -23.650 132 2H5* U 288 2H5* U 288 95.970 16.273 -23.839 133 H4* U 288 H4* U 288 95.640 15.584 -21.653 134 H3* U 288 H3* U 288 95.868 13.125 -23.393 135 H2* U 288 H2* U 288 95.874 11.807 -21.431 136 2HO* U 288 2HO* U 288 95.794 14.123 -19.797 137 H1* U 288 H1* U 288 93.812 13.403 -20.234 138 H3 U 288 H3 U 288 91.981 9.247 -20.435 139 H5 U 288 H5 U 288 91.897 10.601 -24.397 140 H6 U 288 H6 U 288 93.222 12.529 -23.662 141 1H5* G 289 1H5* G 289 98.894 12.246 -20.470 142 2H5* G 289 2H5* G 289 100.142 11.392 -21.378 143 H4* G 289 H4* G 289 99.141 10.001 -19.626 144 H3* G 289 H3* G 289 98.761 9.128 -22.490 145 H2* G 289 H2* G 289 97.852 7.088 -21.695 146 2HO* G 289 2HO* G 289 98.316 6.508 -19.569 147 H1* G 289 H1* G 289 96.271 8.439 -19.741 148 H8 G 289 H8 G 289 96.256 9.890 -23.222 149 H1 G 289 H1 G 289 91.749 5.356 -22.212 150 1H2 G 289 1H2 G 289 92.068 4.463 -20.381 151 2H2 G 289 2H2 G 289 93.364 4.881 -19.282 152 1H5* A 290 1H5* A 290 100.495 6.747 -24.931 153 2H5* A 290 2H5* A 290 99.189 6.903 -23.755 154 H4* A 290 H4* A 290 99.863 4.590 -24.929 155 H3* A 290 H3* A 290 98.570 5.166 -22.299 156 H2* A 290 H2* A 290 98.647 2.887 -21.662 157 2HO* A 290 2HO* A 290 99.914 1.853 -23.848 158 H1* A 290 H1* A 290 101.300 2.507 -22.261 159 H8 A 290 H8 A 290 100.254 5.992 -21.112 160 1H6 A 290 1H6 A 290 102.112 4.173 -15.439 161 2H6 A 290 2H6 A 290 101.515 5.530 -16.367 162 H2 A 290 H2 A 290 102.417 0.693 -18.184 163 1H5* G 291 1H5* G 291 96.930 1.277 -22.945 164 2H5* G 291 2H5* G 291 95.220 1.573 -22.631 165 H4* G 291 H4* G 291 96.248 -0.064 -21.088 166 H3* G 291 H3* G 291 94.965 2.434 -20.040 167 H2* G 291 H2* G 291 95.393 1.758 -17.802 168 2HO* G 291 2HO* G 291 94.989 -0.443 -18.118 169 H1* G 291 H1* G 291 98.069 1.199 -18.243 170 H8 G 291 H8 G 291 96.354 4.072 -20.101 171 H1 G 291 H1 G 291 99.715 5.787 -14.843 172 1H2 G 291 1H2 G 291 100.433 4.098 -13.903 173 2H2 G 291 2H2 G 291 100.164 2.461 -14.457 174 1H5* A 292 1H5* A 292 91.317 -0.745 -19.741 175 2H5* A 292 2H5* A 292 89.997 0.286 -19.186 176 H4* A 292 H4* A 292 91.117 -1.177 -17.448 177 H3* A 292 H3* A 292 90.630 1.757 -17.117 178 H2* A 292 H2* A 292 91.610 1.739 -14.958 179 2HO* A 292 2HO* A 292 91.698 -1.097 -15.463 180 H1* A 292 H1* A 292 93.891 0.367 -15.750 181 H8 A 292 H8 A 292 92.275 2.862 -18.149 182 1H6 A 292 1H6 A 292 96.563 6.902 -16.088 183 2H6 A 292 2H6 A 292 95.261 6.679 -17.235 184 H2 A 292 H2 A 292 96.956 3.144 -13.750 185 1H5* A 293 1H5* A 293 90.325 1.551 -13.070 186 2H5* A 293 2H5* A 293 88.895 2.565 -12.873 187 H4* A 293 H4* A 293 91.104 3.577 -12.179 188 H3* A 293 H3* A 293 89.189 4.939 -14.049 189 H2* A 293 H2* A 293 90.596 6.849 -14.121 190 2HO* A 293 2HO* A 293 92.195 5.409 -12.208 191 H1* A 293 H1* A 293 92.916 5.399 -14.610 192 H8 A 293 H8 A 293 90.287 3.598 -16.447 193 1H6 A 293 1H6 A 293 90.852 7.830 -20.998 194 2H6 A 293 2H6 A 293 90.149 6.284 -20.580 195 H2 A 293 H2 A 293 93.089 9.297 -17.450 196 1H5* A 294 1H5* A 294 90.671 7.745 -11.283 197 2H5* A 294 2H5* A 294 89.303 8.530 -10.493 198 H4* A 294 H4* A 294 90.756 10.253 -11.190 199 H3* A 294 H3* A 294 88.323 10.002 -12.940 200 H2* A 294 H2* A 294 89.004 11.922 -14.161 201 2HO* A 294 2HO* A 294 91.276 12.667 -13.092 202 H1* A 294 H1* A 294 91.628 11.026 -14.490 203 H8 A 294 H8 A 294 89.218 8.171 -14.707 204 1H6 A 294 1H6 A 294 88.690 9.509 -20.780 205 2H6 A 294 2H6 A 294 88.275 8.342 -19.545 206 H2 A 294 H2 A 294 91.005 12.764 -18.836 207 1H5* C 295 1H5* C 295 88.801 13.566 -11.744 208 2H5* C 295 2H5* C 295 87.583 14.663 -11.094 209 H4* C 295 H4* C 295 88.379 15.812 -12.932 210 H3* C 295 H3* C 295 85.886 14.323 -13.731 211 H2* C 295 H2* C 295 85.990 15.354 -15.872 212 2HO* C 295 2HO* C 295 86.748 17.339 -14.829 213 H1* C 295 H1* C 295 88.740 14.781 -16.161 214 1H4 C 295 1H4 C 295 85.831 10.112 -19.394 215 2H4 C 295 2H4 C 295 85.464 9.302 -17.887 216 H5 C 295 H5 C 295 85.929 10.211 -15.757 217 H6 C 295 H6 C 295 86.871 12.139 -14.536 218 1H5* U 296 1H5* U 296 85.157 18.390 -14.325 219 2H5* U 296 2H5* U 296 83.490 18.949 -14.186 220 H4* U 296 H4* U 296 84.230 19.248 -16.444 221 H3* U 296 H3* U 296 82.205 17.042 -16.082 222 H2* U 296 H2* U 296 82.072 16.831 -18.435 223 2HO* U 296 2HO* U 296 82.178 19.192 -18.589 224 H1* U 296 H1* U 296 84.924 17.063 -18.691 225 H3 U 296 H3 U 296 83.759 13.014 -20.492 226 H5 U 296 H5 U 296 83.817 12.393 -16.351 227 H6 U 296 H6 U 296 84.071 14.818 -16.091 228 1H5* A 297 1H5* A 297 80.420 20.122 -18.519 229 2H5* A 297 2H5* A 297 78.659 20.179 -18.432 230 H4* A 297 H4* A 297 79.375 19.702 -20.690 231 H3* A 297 H3* A 297 77.929 17.499 -19.242 232 H2* A 297 H2* A 297 77.938 16.195 -21.230 233 2HO* A 297 2HO* A 297 79.385 18.053 -22.725 234 H1* A 297 H1* A 297 80.683 16.712 -21.696 235 H8 A 297 H8 A 297 80.282 16.007 -18.104 236 1H6 A 297 1H6 A 297 80.398 9.926 -19.503 237 2H6 A 297 2H6 A 297 80.463 11.079 -18.190 238 H2 A 297 H2 A 297 79.994 12.215 -23.290 239 1H5* G 298 1H5* G 298 76.364 17.747 -23.494 240 2H5* G 298 2H5* G 298 74.632 17.821 -23.170 241 H4* G 298 H4* G 298 75.131 16.105 -24.808 242 H3* G 298 H3* G 298 74.025 15.236 -22.161 243 H2* G 298 H2* G 298 73.993 12.969 -22.878 244 2HO* G 298 2HO* G 298 74.827 14.169 -25.362 245 H1* G 298 H1* G 298 76.638 13.139 -23.893 246 H8 G 298 H8 G 298 76.640 14.799 -20.620 247 H1 G 298 H1 G 298 76.601 8.349 -20.097 248 1H2 G 298 1H2 G 298 76.175 7.511 -21.932 249 2H2 G 298 2H2 G 298 75.873 8.422 -23.396 250 1H5* C 299 1H5* C 299 72.128 13.421 -24.711 251 2H5* C 299 2H5* C 299 70.374 13.283 -24.818 252 H4* C 299 H4* C 299 71.292 11.091 -24.586 253 H3* C 299 H3* C 299 69.818 12.113 -22.177 254 H2* C 299 H2* C 299 70.175 10.075 -21.050 255 2HO* C 299 2HO* C 299 69.716 8.953 -23.083 256 H1* C 299 H1* C 299 72.882 9.903 -22.024 257 1H4 C 299 1H4 C 299 73.289 11.308 -15.790 258 2H4 C 299 2H4 C 299 73.159 13.003 -16.205 259 H5 C 299 H5 C 299 72.717 13.792 -18.387 260 H6 C 299 H6 C 299 72.286 13.144 -20.730 261 1H5* U 300 1H5* U 300 68.124 8.317 -24.008 262 2H5* U 300 2H5* U 300 66.415 8.128 -23.620 263 H4* U 300 H4* U 300 67.664 6.120 -23.067 264 H3* U 300 H3* U 300 66.458 7.654 -20.776 265 H2* U 300 H2* U 300 67.128 5.938 -19.286 266 2HO* U 300 2HO* U 300 67.981 4.588 -21.683 267 H1* U 300 H1* U 300 69.721 5.761 -20.301 268 H3 U 300 H3 U 300 70.255 7.761 -16.255 269 H5 U 300 H5 U 300 68.882 10.835 -18.747 270 H6 U 300 H6 U 300 68.510 9.135 -20.474 271 1H5* C 301 1H5* C 301 64.063 3.951 -21.110 272 2H5* C 301 2H5* C 301 62.620 3.984 -20.098 273 H4* C 301 H4* C 301 64.417 2.533 -19.217 274 H3* C 301 H3* C 301 63.372 4.824 -17.586 275 H2* C 301 H2* C 301 64.795 4.240 -15.785 276 2HO* C 301 2HO* C 301 65.102 2.097 -15.674 277 H1* C 301 H1* C 301 67.009 3.836 -17.562 278 1H4 C 301 1H4 C 301 68.104 9.401 -14.597 279 2H4 C 301 2H4 C 301 67.134 10.201 -15.814 280 H5 C 301 H5 C 301 65.915 9.058 -17.483 281 H6 C 301 H6 C 301 65.319 6.846 -18.404 282 1H5* U 302 1H5* U 302 63.222 2.008 -15.173 283 2H5* U 302 2H5* U 302 61.733 1.472 -14.395 284 H4* U 302 H4* U 302 62.879 2.007 -12.528 285 H3* U 302 H3* U 302 61.650 4.606 -13.407 286 H2* U 302 H2* U 302 62.626 5.695 -11.528 287 2HO* U 302 2HO* U 302 62.269 3.862 -10.163 288 H1* U 302 H1* U 302 65.158 4.564 -12.011 289 H3 U 302 H3 U 302 66.221 8.736 -13.248 290 H5 U 302 H5 U 302 63.206 7.719 -15.970 291 H6 U 302 H6 U 302 62.952 5.609 -14.749 292 1H5* G 303 1H5* G 303 60.442 4.110 -9.456 293 2H5* G 303 2H5* G 303 58.862 4.784 -9.058 294 H4* G 303 H4* G 303 60.485 5.998 -7.825 295 H3* G 303 H3* G 303 59.413 7.571 -10.169 296 H2* G 303 H2* G 303 60.553 9.471 -9.340 297 2HO* G 303 2HO* G 303 61.093 7.760 -7.085 298 H1* G 303 H1* G 303 62.871 7.891 -8.711 299 H8 G 303 H8 G 303 61.655 7.316 -12.175 300 H1 G 303 H1 G 303 65.398 12.568 -11.628 301 1H2 G 303 1H2 G 303 65.701 12.992 -9.633 302 2H2 G 303 2H2 G 303 65.041 12.063 -8.306 303 1H5* U 304 1H5* U 304 58.114 9.087 -6.399 304 2H5* U 304 2H5* U 304 56.757 10.205 -6.283 305 H4* U 304 H4* U 304 58.766 11.326 -5.603 306 H3* U 304 H3* U 304 57.612 12.246 -8.227 307 H2* U 304 H2* U 304 59.224 13.993 -8.295 308 2HO* U 304 2HO* U 304 59.262 14.523 -6.127 309 H1* U 304 H1* U 304 61.341 12.239 -7.650 310 H3 U 304 H3 U 304 62.260 13.422 -11.930 311 H5 U 304 H5 U 304 59.050 10.757 -12.286 312 H6 U 304 H6 U 304 58.879 10.791 -9.841 313 1H5* A 305 1H5* A 305 56.395 14.355 -4.429 314 2H5* A 305 2H5* A 305 54.782 15.013 -4.150 315 H4* A 305 H4* A 305 55.976 16.946 -4.232 316 H3* A 305 H3* A 305 55.117 16.376 -7.055 317 H2* A 305 H2* A 305 56.156 18.392 -7.775 318 2HO* A 305 2HO* A 305 57.118 19.691 -5.947 319 H1* A 305 H1* A 305 58.558 17.830 -6.468 320 H8 A 305 H8 A 305 56.683 14.916 -8.037 321 1H6 A 305 1H6 A 305 60.353 15.802 -13.006 322 2H6 A 305 2H6 A 305 59.129 14.760 -12.315 323 H2 A 305 H2 A 305 61.141 19.066 -10.096 324 1H5* U 306 1H5* U 306 51.123 18.691 -5.309 325 2H5* U 306 2H5* U 306 50.880 20.427 -5.504 326 H4* U 306 H4* U 306 51.180 19.324 -3.129 327 H3* U 306 H3* U 306 52.300 21.989 -4.021 328 H2* U 306 H2* U 306 53.148 22.299 -1.897 329 2HO* U 306 2HO* U 306 51.464 20.293 -0.809 330 H1* U 306 H1* U 306 53.165 19.351 -1.465 331 H3 U 306 H3 U 306 57.344 19.419 0.079 332 H5 U 306 H5 U 306 57.433 22.457 -2.802 333 H6 U 306 H6 U 306 55.074 21.964 -3.252 334 1H5* C 307 1H5* C 307 48.217 20.785 -0.334 335 2H5* C 307 2H5* C 307 46.606 20.870 -1.047 336 H4* C 307 H4* C 307 47.130 22.571 0.740 337 H3* C 307 H3* C 307 46.103 23.369 -1.978 338 H2* C 307 H2* C 307 45.913 25.609 -1.215 339 2HO* C 307 2HO* C 307 45.147 25.050 0.854 340 H1* C 307 H1* C 307 48.469 25.606 -0.043 341 1H4 C 307 1H4 C 307 48.977 28.221 -5.896 342 2H4 C 307 2H4 C 307 49.627 26.689 -6.433 343 H5 C 307 H5 C 307 49.685 24.743 -5.096 344 H6 C 307 H6 C 307 49.130 23.780 -2.891 345 1H5* U 308 1H5* U 308 43.252 19.762 -1.875 346 2H5* U 308 2H5* U 308 41.760 20.080 -0.989 347 H4* U 308 H4* U 308 42.283 18.020 -0.167 348 H3* U 308 H3* U 308 43.686 19.973 1.665 349 H2* U 308 H2* U 308 44.452 18.189 2.936 350 2HO* U 308 2HO* U 308 42.982 16.127 2.010 351 H1* U 308 H1* U 308 44.383 16.454 0.529 352 H3 U 308 H3 U 308 48.619 15.164 1.045 353 H5 U 308 H5 U 308 48.688 19.040 2.630 354 H6 U 308 H6 U 308 46.310 19.209 2.058 355 1H5* G 309 1H5* G 309 41.214 19.103 4.099 356 2H5* G 309 2H5* G 309 39.598 19.366 4.754 357 H4* G 309 H4* G 309 40.714 20.514 6.330 358 H3* G 309 H3* G 309 40.562 22.541 4.092 359 H2* G 309 H2* G 309 41.700 24.059 5.439 360 2HO* G 309 2HO* G 309 41.687 23.440 7.830 361 H1* G 309 H1* G 309 43.125 21.852 6.778 362 H8 G 309 H8 G 309 43.380 22.987 3.135 363 H1 G 309 H1 G 309 48.300 24.776 6.941 364 1H2 G 309 1H2 G 309 47.905 24.217 8.885 365 2H2 G 309 2H2 G 309 46.458 23.385 9.408 366 1H5* G 310 1H5* G 310 39.158 25.388 7.105 367 2H5* G 310 2H5* G 310 37.617 24.531 7.088 368 H4* G 310 H4* G 310 37.821 27.187 7.324 369 H3* G 310 H3* G 310 35.515 26.742 5.627 370 H2* G 310 H2* G 310 34.633 27.815 7.469 371 2HO* G 310 2HO* G 310 35.580 26.920 9.613 372 H1* G 310 H1* G 310 36.806 28.765 8.740 373 H8 G 310 H8 G 310 37.958 28.573 5.220 374 H1 G 310 H1 G 310 34.229 33.735 6.384 375 1H2 G 310 1H2 G 310 33.344 33.541 8.236 376 2H2 G 310 2H2 G 310 33.578 32.183 9.314 377 1H5* C 311 1H5* C 311 33.880 24.979 8.479 378 2H5* C 311 2H5* C 311 32.504 23.904 8.235 379 H4* C 311 H4* C 311 31.611 25.727 9.371 380 H3* C 311 H3* C 311 31.064 25.979 6.421 381 H2* C 311 H2* C 311 29.739 27.905 6.858 382 2HO* C 311 2HO* C 311 29.333 28.370 9.148 383 H1* C 311 H1* C 311 31.699 29.032 8.551 384 1H4 C 311 1H4 C 311 32.456 31.802 2.825 385 2H4 C 311 2H4 C 311 33.599 30.543 2.416 386 H5 C 311 H5 C 311 34.027 28.662 3.777 387 H6 C 311 H6 C 311 33.457 27.513 5.889 388 1H5* G 312 1H5* G 312 26.461 26.137 8.358 389 2H5* G 312 2H5* G 312 25.769 25.936 6.748 390 H4* G 312 H4* G 312 25.476 28.152 8.242 391 H3* G 312 H3* G 312 25.417 27.753 5.273 392 H2* G 312 H2* G 312 25.149 30.091 4.925 393 2HO* G 312 2HO* G 312 24.140 31.088 6.570 394 H1* G 312 H1* G 312 27.278 30.809 6.530 395 H8 G 312 H8 G 312 28.633 27.739 5.230 396 H1 G 312 H1 G 312 28.250 32.231 0.586 397 1H2 G 312 1H2 G 312 27.042 33.776 1.222 398 2H2 G 312 2H2 G 312 26.251 33.846 2.780 399 1H5* G 313 1H5* G 313 22.362 31.227 5.779 400 2H5* G 313 2H5* G 313 21.045 30.313 5.045 401 H4* G 313 H4* G 313 21.349 32.443 3.927 402 H3* G 313 H3* G 313 21.942 29.962 2.336 403 H2* G 313 H2* G 313 22.307 31.287 0.402 404 2HO* G 313 2HO* G 313 21.938 33.765 1.468 405 H1* G 313 H1* G 313 23.982 33.099 1.682 406 H8 G 313 H8 G 313 24.482 29.645 3.051 407 H1 G 313 H1 G 313 27.846 30.825 -2.351 408 1H2 G 313 1H2 G 313 27.233 32.618 -3.166 409 2H2 G 313 2H2 G 313 25.992 33.647 -2.487 410 1H5* A 314 1H5* A 314 19.402 32.862 0.470 411 2H5* A 314 2H5* A 314 18.176 32.161 -0.586 412 H4* A 314 H4* A 314 19.444 33.838 -1.773 413 H3* A 314 H3* A 314 19.775 30.995 -2.684 414 H2* A 314 H2* A 314 21.141 31.729 -4.491 415 2HO* A 314 2HO* A 314 19.643 33.766 -4.281 416 H1* A 314 H1* A 314 22.791 33.271 -2.876 417 H8 A 314 H8 A 314 21.648 30.187 -1.069 418 1H6 A 314 1H6 A 314 26.589 27.310 -3.572 419 2H6 A 314 2H6 A 314 25.288 27.143 -2.415 420 H2 A 314 H2 A 314 26.225 31.326 -5.438 421 1H5* C 315 1H5* C 315 20.658 32.892 -6.064 422 2H5* C 315 2H5* C 315 19.236 32.639 -7.074 423 H4* C 315 H4* C 315 21.365 32.076 -8.198 424 H3* C 315 H3* C 315 19.032 30.625 -8.394 425 H2* C 315 H2* C 315 19.675 28.831 -7.017 426 2HO* C 315 2HO* C 315 20.939 27.512 -8.897 427 H1* C 315 H1* C 315 22.514 28.866 -8.061 428 1H4 C 315 1H4 C 315 23.752 26.038 -2.510 429 2H4 C 315 2H4 C 315 22.377 26.815 -1.758 430 H5 C 315 H5 C 315 20.935 28.311 -2.880 431 H6 C 315 H6 C 315 20.453 29.442 -5.023 432 1H5* C 316 1H5* C 316 22.035 31.999 -12.741 433 2H5* C 316 2H5* C 316 22.885 31.127 -11.466 434 H4* C 316 H4* C 316 23.305 33.940 -12.439 435 H3* C 316 H3* C 316 24.945 31.448 -12.338 436 H2* C 316 H2* C 316 26.925 32.648 -11.864 437 2HO* C 316 2HO* C 316 26.429 35.141 -11.842 438 H1* C 316 H1* C 316 25.897 34.165 -9.828 439 1H4 C 316 1H4 C 316 27.776 28.739 -7.003 440 2H4 C 316 2H4 C 316 26.164 28.101 -7.232 441 H5 C 316 H5 C 316 24.471 29.210 -8.450 442 H6 C 316 H6 C 316 23.904 31.221 -9.764 443 1H5* C 317 1H5* C 317 26.946 33.702 -15.101 444 2H5* C 317 2H5* C 317 27.207 32.930 -16.665 445 H4* C 317 H4* C 317 29.348 33.480 -15.951 446 H3* C 317 H3* C 317 28.761 30.589 -15.403 447 H2* C 317 H2* C 317 30.950 30.285 -14.535 448 2HO* C 317 2HO* C 317 31.760 31.769 -16.191 449 H1* C 317 H1* C 317 30.801 32.578 -12.912 450 1H4 C 317 1H4 C 317 29.239 27.767 -9.016 451 2H4 C 317 2H4 C 317 27.609 27.794 -9.652 452 H5 C 317 H5 C 317 26.920 29.164 -11.448 453 H6 C 317 H6 C 317 27.633 30.862 -13.093 454 1H5* G 318 1H5* G 318 32.269 30.619 -17.736 455 2H5* G 318 2H5* G 318 32.169 29.574 -19.154 456 H4* G 318 H4* G 318 34.156 29.004 -17.993 457 H3* G 318 H3* G 318 31.961 26.973 -17.709 458 H2* G 318 H2* G 318 33.411 25.558 -16.474 459 2HO* G 318 2HO* G 318 35.334 27.580 -17.191 460 H1* G 318 H1* G 318 34.282 27.570 -14.763 461 H8 G 318 H8 G 318 30.658 27.902 -15.774 462 H1 G 318 H1 G 318 31.647 24.206 -10.554 463 1H2 G 318 1H2 G 318 33.670 23.899 -10.301 464 2H2 G 318 2H2 G 318 34.914 24.547 -11.347 465 1H5* U 319 1H5* U 319 34.142 24.858 -19.163 466 2H5* U 319 2H5* U 319 33.957 23.601 -20.386 467 H4* U 319 H4* U 319 32.749 23.848 -17.717 468 H3* U 319 H3* U 319 33.595 21.615 -19.544 469 H2* U 319 H2* U 319 32.242 20.097 -18.307 470 2HO* U 319 2HO* U 319 32.254 22.391 -16.626 471 H1* U 319 H1* U 319 30.037 21.885 -18.341 472 H3 U 319 H3 U 319 28.147 18.885 -21.066 473 H5 U 319 H5 U 319 31.699 19.816 -23.082 474 H6 U 319 H6 U 319 32.286 21.249 -21.180 475 1H5* G 320 1H5* G 320 34.651 23.256 -15.948 476 2H5* G 320 2H5* G 320 35.573 24.749 -15.780 477 H4* G 320 H4* G 320 37.554 23.133 -15.199 478 H3* G 320 H3* G 320 35.271 21.264 -15.157 479 H2* G 320 H2* G 320 35.716 20.436 -12.979 480 2HO* G 320 2HO* G 320 37.788 20.639 -12.286 481 H1* G 320 H1* G 320 35.833 22.877 -11.757 482 H8 G 320 H8 G 320 33.480 23.636 -14.435 483 H1 G 320 H1 G 320 30.790 19.935 -9.858 484 1H2 G 320 1H2 G 320 32.263 19.180 -8.629 485 2H2 G 320 2H2 G 320 33.973 19.501 -8.812 486 1H5* G 321 1H5* G 321 38.593 18.962 -13.324 487 2H5* G 321 2H5* G 321 38.576 17.445 -14.224 488 H4* G 321 H4* G 321 38.470 17.053 -11.826 489 H3* G 321 H3* G 321 36.132 16.228 -13.509 490 H2* G 321 H2* G 321 35.026 15.334 -11.606 491 2HO* G 321 2HO* G 321 37.134 16.144 -9.902 492 H1* G 321 H1* G 321 35.586 17.658 -10.064 493 H8 G 321 H8 G 321 34.424 18.949 -13.251 494 H1 G 321 H1 G 321 29.551 16.484 -9.779 495 1H2 G 321 1H2 G 321 30.312 15.368 -8.220 496 2H2 G 321 2H2 G 321 32.016 15.135 -7.902 497 1H5* U 322 1H5* U 322 37.627 12.097 -12.474 498 2H5* U 322 2H5* U 322 36.852 11.042 -13.655 499 H4* U 322 H4* U 322 35.950 11.013 -11.274 500 H3* U 322 H3* U 322 34.235 11.297 -13.724 501 H2* U 322 H2* U 322 32.287 11.322 -12.394 502 2HO* U 322 2HO* U 322 32.705 10.817 -10.036 503 H1* U 322 H1* U 322 33.569 13.014 -10.434 504 H3 U 322 H3 U 322 29.820 15.292 -11.692 505 H5 U 322 H5 U 322 32.492 15.804 -14.876 506 H6 U 322 H6 U 322 33.952 14.164 -13.784 507 1H5* G 323 1H5* G 323 32.841 7.119 -12.021 508 2H5* G 323 2H5* G 323 32.924 6.193 -13.520 509 H4* G 323 H4* G 323 30.787 5.785 -12.646 510 H3* G 323 H3* G 323 30.742 7.733 -14.924 511 H2* G 323 H2* G 323 28.366 7.868 -14.797 512 2HO* G 323 2HO* G 323 27.766 6.376 -12.690 513 H1* G 323 H1* G 323 28.334 8.399 -12.081 514 H8 G 323 H8 G 323 31.402 9.972 -13.474 515 H1 G 323 H1 G 323 26.061 13.489 -14.460 516 1H2 G 323 1H2 G 323 24.399 12.366 -13.985 517 2H2 G 323 2H2 G 323 24.445 10.716 -13.406 518 1H5* G 324 1H5* G 324 28.968 6.792 -18.844 519 2H5* G 324 2H5* G 324 29.807 8.319 -18.568 520 H4* G 324 H4* G 324 27.421 8.593 -17.156 521 H3* G 324 H3* G 324 26.955 6.765 -19.419 522 H2* G 324 H2* G 324 25.300 8.081 -20.456 523 2HO* G 324 2HO* G 324 24.591 8.574 -18.178 524 H1* G 324 H1* G 324 26.628 10.432 -20.482 525 H8 G 324 H8 G 324 29.625 8.486 -20.531 526 H1 G 324 H1 G 324 26.319 7.662 -26.035 527 1H2 G 324 1H2 G 324 24.395 8.362 -25.793 528 2H2 G 324 2H2 G 324 23.770 9.068 -24.320 529 1H5* A 325 1H5* A 325 23.122 7.268 -18.339 530 2H5* A 325 2H5* A 325 22.388 5.783 -17.735 531 H4* A 325 H4* A 325 20.947 6.431 -19.423 532 H3* A 325 H3* A 325 22.857 4.358 -20.447 533 H2* A 325 H2* A 325 21.829 4.413 -22.583 534 2HO* A 325 2HO* A 325 20.000 6.401 -21.733 535 H1* A 325 H1* A 325 21.844 7.199 -22.753 536 H8 A 325 H8 A 325 25.007 6.308 -21.096 537 1H6 A 325 1H6 A 325 27.367 5.048 -26.735 538 2H6 A 325 2H6 A 325 27.770 5.276 -25.048 539 H2 A 325 H2 A 325 22.974 5.568 -27.151 540 1H5* A 326 1H5* A 326 19.215 1.259 -20.759 541 2H5* A 326 2H5* A 326 20.294 -0.043 -21.258 542 H4* A 326 H4* A 326 18.632 1.121 -22.947 543 H3* A 326 H3* A 326 21.343 -0.032 -23.420 544 H2* A 326 H2* A 326 21.334 0.681 -25.696 545 2HO* A 326 2HO* A 326 19.036 2.106 -25.755 546 H1* A 326 H1* A 326 20.713 3.306 -25.075 547 H8 A 326 H8 A 326 22.786 2.701 -22.239 548 1H6 A 326 1H6 A 326 27.837 2.727 -25.904 549 2H6 A 326 2H6 A 326 27.290 2.802 -24.245 550 H2 A 326 H2 A 326 24.242 2.384 -28.494 551 1H5* C 327 1H5* C 327 19.342 -1.066 -26.952 552 2H5* C 327 2H5* C 327 19.511 -2.810 -27.157 553 H4* C 327 H4* C 327 20.267 -1.635 -29.136 554 H3* C 327 H3* C 327 22.326 -3.144 -27.557 555 H2* C 327 H2* C 327 23.977 -2.624 -29.188 556 2HO* C 327 2HO* C 327 23.205 -2.228 -31.193 557 H1* C 327 H1* C 327 23.393 0.091 -29.210 558 1H4 C 327 1H4 C 327 27.982 -0.756 -24.805 559 2H4 C 327 2H4 C 327 26.727 -0.753 -23.587 560 H5 C 327 H5 C 327 24.416 -0.736 -24.077 561 H6 C 327 H6 C 327 22.724 -0.719 -25.876 562 1H5* U 328 1H5* U 328 22.952 -4.158 -31.639 563 2H5* U 328 2H5* U 328 22.989 -5.918 -31.754 564 H4* U 328 H4* U 328 24.920 -4.989 -32.848 565 H3* U 328 H3* U 328 25.468 -6.503 -30.303 566 H2* U 328 H2* U 328 27.802 -6.301 -30.720 567 2HO* U 328 2HO* U 328 28.138 -4.994 -32.886 568 H1* U 328 H1* U 328 27.610 -3.547 -31.263 569 H3 U 328 H3 U 328 29.894 -4.378 -27.306 570 H5 U 328 H5 U 328 25.870 -3.831 -26.280 571 H6 U 328 H6 U 328 25.349 -3.931 -28.674 572 1H5* G 329 1H5* G 329 27.624 -9.044 -32.745 573 2H5* G 329 2H5* G 329 27.472 -10.696 -32.150 574 H4* G 329 H4* G 329 29.723 -9.776 -31.821 575 H3* G 329 H3* G 329 28.113 -10.575 -29.410 576 H2* G 329 H2* G 329 29.957 -10.096 -28.008 577 2HO* G 329 2HO* G 329 31.903 -10.389 -28.947 578 H1* G 329 H1* G 329 30.517 -7.675 -29.460 579 H8 G 329 H8 G 329 26.960 -7.713 -28.562 580 H1 G 329 H1 G 329 30.728 -6.099 -23.554 581 1H2 G 329 1H2 G 329 32.697 -6.512 -24.012 582 2H2 G 329 2H2 G 329 33.244 -7.195 -25.527 583 1H5* U 330 1H5* U 330 27.636 -12.751 -27.268 584 2H5* U 330 2H5* U 330 28.716 -11.389 -26.971 585 H4* U 330 H4* U 330 28.211 -13.397 -25.210 586 H3* U 330 H3* U 330 30.550 -11.513 -25.447 587 H2* U 330 H2* U 330 31.642 -12.613 -23.724 588 2HO* U 330 2HO* U 330 29.103 -13.813 -23.105 589 H1* U 330 H1* U 330 30.251 -15.133 -24.431 590 H3 U 330 H3 U 330 34.141 -17.308 -24.419 591 H5 U 330 H5 U 330 35.171 -13.690 -26.261 592 H6 U 330 H6 U 330 32.842 -12.985 -25.954 593 1H5* G 331 1H5* G 331 31.535 -11.198 -21.450 594 2H5* G 331 2H5* G 331 31.682 -9.442 -21.495 595 H4* G 331 H4* G 331 33.839 -10.740 -21.365 596 H3* G 331 H3* G 331 33.315 -8.637 -23.440 597 H2* G 331 H2* G 331 35.486 -8.920 -24.332 598 2HO* G 331 2HO* G 331 36.686 -9.173 -22.495 599 H1* G 331 H1* G 331 35.287 -11.773 -24.182 600 H8 G 331 H8 G 331 32.318 -10.067 -25.711 601 H1 G 331 H1 G 331 37.069 -11.315 -29.925 602 1H2 G 331 1H2 G 331 38.746 -11.946 -28.905 603 2H2 G 331 2H2 G 331 38.851 -12.112 -27.167 604 1H5* A 332 1H5* A 332 35.539 -4.440 -20.167 605 2H5* A 332 2H5* A 332 34.807 -4.673 -21.754 606 H4* A 332 H4* A 332 37.378 -5.740 -20.663 607 H3* A 332 H3* A 332 36.515 -4.310 -23.167 608 H2* A 332 H2* A 332 38.412 -5.201 -24.299 609 2HO* A 332 2HO* A 332 39.492 -6.772 -22.411 610 H1* A 332 H1* A 332 37.908 -7.811 -23.392 611 H8 A 332 H8 A 332 34.768 -5.955 -24.286 612 1H6 A 332 1H6 A 332 35.570 -8.105 -30.091 613 2H6 A 332 2H6 A 332 34.463 -7.260 -29.033 614 H2 A 332 H2 A 332 39.199 -9.099 -27.726 615 1H5* A 333 1H5* A 333 40.313 -2.366 -25.020 616 2H5* A 333 2H5* A 333 39.454 -0.912 -24.514 617 H4* A 333 H4* A 333 39.592 -1.462 -27.022 618 H3* A 333 H3* A 333 37.119 -0.582 -25.563 619 H2* A 333 H2* A 333 35.905 -0.574 -27.611 620 2HO* A 333 2HO* A 333 37.926 0.179 -28.664 621 H1* A 333 H1* A 333 36.708 -3.127 -28.337 622 H8 A 333 H8 A 333 36.352 -2.996 -24.624 623 1H6 A 333 1H6 A 333 30.296 -4.243 -25.468 624 2H6 A 333 2H6 A 333 31.560 -4.102 -24.268 625 H2 A 333 H2 A 333 32.103 -3.382 -29.434 626 1H5* G 334 1H5* G 334 37.554 1.898 -29.616 627 2H5* G 334 2H5* G 334 36.202 3.010 -29.400 628 H4* G 334 H4* G 334 36.243 0.948 -31.159 629 H3* G 334 H3* G 334 33.977 2.438 -29.876 630 H2* G 334 H2* G 334 32.401 1.003 -30.919 631 2HO* G 334 2HO* G 334 34.777 -0.000 -32.201 632 H1* G 334 H1* G 334 33.659 -1.340 -30.165 633 H8 G 334 H8 G 334 34.400 0.571 -27.219 634 H1 G 334 H1 G 334 28.060 -0.682 -27.590 635 1H2 G 334 1H2 G 334 27.596 -1.328 -29.492 636 2H2 G 334 2H2 G 334 28.752 -1.504 -30.793 637 1H5* U 335 1H5* U 335 32.678 1.423 -33.730 638 2H5* U 335 2H5* U 335 32.054 2.888 -34.488 639 H4* U 335 H4* U 335 30.433 1.061 -34.556 640 H3* U 335 H3* U 335 29.763 3.571 -33.077 641 H2* U 335 H2* U 335 27.632 2.725 -32.461 642 2HO* U 335 2HO* U 335 28.453 0.547 -34.158 643 H1* U 335 H1* U 335 28.667 0.264 -31.587 644 H3 U 335 H3 U 335 27.081 2.851 -28.067 645 H5 U 335 H5 U 335 31.170 3.675 -28.425 646 H6 U 335 H6 U 335 31.131 2.450 -30.550 647 1H5* U 336 1H5* U 336 26.504 3.334 -36.063 648 2H5* U 336 2H5* U 336 26.065 4.980 -36.517 649 H4* U 336 H4* U 336 24.181 3.871 -35.498 650 H3* U 336 H3* U 336 25.391 6.172 -34.015 651 H2* U 336 H2* U 336 23.788 5.966 -32.274 652 2HO* U 336 2HO* U 336 22.239 5.331 -34.031 653 H1* U 336 H1* U 336 24.163 3.176 -32.063 654 H3 U 336 H3 U 336 25.771 4.917 -28.166 655 H5 U 336 H5 U 336 28.827 5.568 -30.954 656 H6 U 336 H6 U 336 27.269 4.815 -32.690 657 1H5* C 337 1H5* C 337 21.206 7.139 -33.816 658 2H5* C 337 2H5* C 337 21.101 8.899 -33.874 659 H4* C 337 H4* C 337 20.286 7.827 -31.756 660 H3* C 337 H3* C 337 22.379 9.984 -31.746 661 H2* C 337 H2* C 337 22.465 9.941 -29.408 662 2HO* C 337 2HO* C 337 20.072 9.859 -29.482 663 H1* C 337 H1* C 337 22.057 7.048 -29.397 664 1H4 C 337 1H4 C 337 27.905 8.080 -26.988 665 2H4 C 337 2H4 C 337 28.525 8.078 -28.623 666 H5 C 337 H5 C 337 27.160 7.994 -30.549 667 H6 C 337 H6 C 337 24.839 7.887 -31.387 668 1H5* G 338 1H5* G 338 19.469 12.223 -29.753 669 2H5* G 338 2H5* G 338 19.526 13.902 -30.288 670 H4* G 338 H4* G 338 20.325 13.841 -28.057 671 H3* G 338 H3* G 338 22.478 14.280 -30.106 672 H2* G 338 H2* G 338 24.095 14.486 -28.403 673 2HO* G 338 2HO* G 338 22.449 15.728 -27.182 674 H1* G 338 H1* G 338 22.881 12.310 -26.923 675 H8 G 338 H8 G 338 23.637 11.250 -30.360 676 H1 G 338 H1 G 338 28.873 11.189 -26.557 677 1H2 G 338 1H2 G 338 28.457 12.179 -24.797 678 2H2 G 338 2H2 G 338 26.920 12.916 -24.410 679 1H5* G 339 1H5* G 339 24.188 16.596 -27.585 680 2H5* G 339 2H5* G 339 24.602 18.079 -28.445 681 H4* G 339 H4* G 339 26.504 16.560 -27.642 682 H3* G 339 H3* G 339 26.287 17.875 -30.308 683 H2* G 339 H2* G 339 27.687 16.356 -31.261 684 2HO* G 339 2HO* G 339 29.171 17.832 -30.146 685 H1* G 339 H1* G 339 27.954 15.068 -28.498 686 H8 G 339 H8 G 339 28.861 12.749 -28.776 687 H1 G 339 H1 G 339 26.979 12.374 -34.956 688 1H2 G 339 1H2 G 339 25.964 14.094 -35.473 689 2H2 G 339 2H2 G 339 25.668 15.437 -34.392 690 1H5* A 340 1H5* A 340 27.037 20.049 -26.410 691 2H5* A 340 2H5* A 340 27.374 19.363 -24.821 692 H4* A 340 H4* A 340 24.932 20.160 -25.651 693 H3* A 340 H3* A 340 25.765 18.158 -23.578 694 H2* A 340 H2* A 340 23.481 17.632 -23.144 695 2HO* A 340 2HO* A 340 23.129 20.021 -23.726 696 H1* A 340 H1* A 340 22.920 17.326 -25.897 697 H8 A 340 H8 A 340 26.088 15.632 -25.589 698 1H6 A 340 1H6 A 340 23.168 10.788 -22.950 699 2H6 A 340 2H6 A 340 24.671 11.314 -23.674 700 H2 A 340 H2 A 340 20.360 14.232 -23.023 701 1H5* A 341 1H5* A 341 22.248 20.391 -22.000 702 2H5* A 341 2H5* A 341 22.483 20.422 -20.252 703 H4* A 341 H4* A 341 20.386 19.291 -21.092 704 H3* A 341 H3* A 341 22.305 17.933 -19.207 705 H2* A 341 H2* A 341 20.780 16.128 -18.999 706 2HO* A 341 2HO* A 341 18.977 17.610 -18.988 707 H1* A 341 H1* A 341 20.332 15.954 -21.770 708 H8 A 341 H8 A 341 23.935 16.592 -21.287 709 1H6 A 341 1H6 A 341 24.648 10.478 -20.261 710 2H6 A 341 2H6 A 341 25.504 11.976 -20.549 711 H2 A 341 H2 A 341 20.299 11.388 -20.262 712 1H5* C 342 1H5* C 342 19.049 18.241 -17.075 713 2H5* C 342 2H5* C 342 19.010 18.888 -15.435 714 H4* C 342 H4* C 342 18.337 16.580 -15.410 715 H3* C 342 H3* C 342 20.955 17.230 -14.103 716 H2* C 342 H2* C 342 21.222 14.962 -13.434 717 2HO* C 342 2HO* C 342 18.590 14.756 -14.586 718 H1* C 342 H1* C 342 20.746 13.933 -15.958 719 1H4 C 342 1H4 C 342 27.063 15.028 -15.555 720 2H4 C 342 2H4 C 342 26.797 16.484 -16.489 721 H5 C 342 H5 C 342 24.658 17.311 -17.056 722 H6 C 342 H6 C 342 22.225 16.941 -16.866 723 1H5* A 343 1H5* A 343 19.161 15.034 -11.324 724 2H5* A 343 2H5* A 343 19.120 15.746 -9.711 725 H4* A 343 H4* A 343 20.204 13.631 -9.559 726 H3* A 343 H3* A 343 22.020 16.001 -9.245 727 H2* A 343 H2* A 343 23.856 14.554 -8.800 728 2HO* A 343 2HO* A 343 22.886 12.946 -7.634 729 H1* A 343 H1* A 343 23.394 12.950 -11.020 730 H8 A 343 H8 A 343 22.515 16.475 -11.870 731 1H6 A 343 1H6 A 343 28.541 17.318 -13.260 732 2H6 A 343 2H6 A 343 26.952 18.043 -13.347 733 H2 A 343 H2 A 343 28.109 13.360 -11.288 734 1H5* C 344 1H5* C 344 22.373 14.101 -5.182 735 2H5* C 344 2H5* C 344 22.643 15.434 -4.060 736 H4* C 344 H4* C 344 24.521 13.887 -4.070 737 H3* C 344 H3* C 344 24.989 16.694 -5.022 738 H2* C 344 H2* C 344 27.311 16.236 -5.295 739 2HO* C 344 2HO* C 344 26.680 13.595 -4.352 740 H1* C 344 H1* C 344 26.813 13.867 -6.730 741 1H4 C 344 1H4 C 344 27.752 18.250 -11.269 742 2H4 C 344 2H4 C 344 26.124 18.846 -11.027 743 H5 C 344 H5 C 344 24.673 18.061 -9.337 744 H6 C 344 H6 C 344 24.426 16.496 -7.443 745 1H5* C 345 1H5* C 345 28.077 16.539 -1.525 746 2H5* C 345 2H5* C 345 28.537 18.242 -1.496 747 H4* C 345 H4* C 345 30.196 16.401 -2.354 748 H3* C 345 H3* C 345 29.796 19.165 -3.475 749 H2* C 345 H2* C 345 31.557 18.776 -5.024 750 2HO* C 345 2HO* C 345 32.728 16.703 -4.713 751 H1* C 345 H1* C 345 30.519 16.224 -5.716 752 1H4 C 345 1H4 C 345 28.796 20.358 -10.321 753 2H4 C 345 2H4 C 345 27.246 20.488 -9.522 754 H5 C 345 H5 C 345 26.763 19.521 -7.421 755 H6 C 345 H6 C 345 27.659 18.177 -5.553 756 1H5* C 346 1H5* C 346 33.207 18.875 -3.362 757 2H5* C 346 2H5* C 346 34.398 19.802 -2.449 758 H4* C 346 H4* C 346 35.120 20.042 -4.630 759 H3* C 346 H3* C 346 33.394 22.441 -3.986 760 H2* C 346 H2* C 346 34.015 23.364 -6.049 761 2HO* C 346 2HO* C 346 36.010 21.297 -5.887 762 H1* C 346 H1* C 346 34.033 20.727 -7.288 763 1H4 C 346 1H4 C 346 29.266 24.005 -10.042 764 2H4 C 346 2H4 C 346 28.220 23.487 -8.739 765 H5 C 346 H5 C 346 28.972 22.304 -6.838 766 H6 C 346 H6 C 346 30.934 21.316 -5.710 767 1H5* G 347 1H5* G 347 37.815 23.937 -3.488 768 2H5* G 347 2H5* G 347 37.747 25.479 -2.635 769 H4* G 347 H4* G 347 38.742 25.618 -4.901 770 H3* G 347 H3* G 347 36.349 27.262 -4.158 771 H2* G 347 H2* G 347 36.376 28.319 -6.292 772 2HO* G 347 2HO* G 347 38.588 26.680 -7.029 773 H1* G 347 H1* G 347 36.546 25.876 -7.663 774 H8 G 347 H8 G 347 34.204 25.051 -5.041 775 H1 G 347 H1 G 347 31.522 29.022 -9.392 776 1H2 G 347 1H2 G 347 32.997 29.838 -10.580 777 2H2 G 347 2H2 G 347 34.705 29.498 -10.421 778 1H5* G 348 1H5* G 348 38.943 30.813 -4.780 779 2H5* G 348 2H5* G 348 38.055 32.038 -3.875 780 H4* G 348 H4* G 348 37.987 32.004 -6.482 781 H3* G 348 H3* G 348 35.629 32.503 -4.663 782 H2* G 348 H2* G 348 34.341 33.049 -6.582 783 2HO* G 348 2HO* G 348 36.262 34.124 -7.475 784 H1* G 348 H1* G 348 35.357 30.800 -8.013 785 H8 G 348 H8 G 348 34.465 29.373 -4.834 786 H1 G 348 H1 G 348 29.174 30.946 -8.211 787 1H2 G 348 1H2 G 348 29.697 32.185 -9.774 788 2H2 G 348 2H2 G 348 31.328 32.718 -10.119 789 1H5* C 349 1H5* C 349 34.223 34.968 -7.311 790 2H5* C 349 2H5* C 349 34.353 36.539 -6.520 791 H4* C 349 H4* C 349 32.087 36.301 -7.067 792 H3* C 349 H3* C 349 32.598 35.766 -4.155 793 H2* C 349 H2* C 349 30.299 35.415 -3.782 794 2HO* C 349 2HO* C 349 28.983 36.593 -5.065 795 H1* C 349 H1* C 349 30.037 33.954 -6.259 796 1H4 C 349 1H4 C 349 29.493 29.620 -1.582 797 2H4 C 349 2H4 C 349 31.238 29.514 -1.523 798 H5 C 349 H5 C 349 32.684 30.917 -2.756 799 H6 C 349 H6 C 349 32.812 32.784 -4.367 800 1H5* C 350 1H5* C 350 30.540 39.870 -3.902 801 2H5* C 350 2H5* C 350 30.962 40.507 -2.312 802 H4* C 350 H4* C 350 28.555 39.852 -2.632 803 H3* C 350 H3* C 350 30.233 38.829 -0.367 804 H2* C 350 H2* C 350 28.382 37.635 0.513 805 2HO* C 350 2HO* C 350 26.295 38.044 -0.612 806 H1* C 350 H1* C 350 27.690 36.628 -2.068 807 1H4 C 350 1H4 C 350 30.552 31.760 0.923 808 2H4 C 350 2H4 C 350 32.108 32.439 0.499 809 H5 C 350 H5 C 350 32.385 34.533 -0.559 810 H6 C 350 H6 C 350 31.226 36.509 -1.479 811 1H5* G 351 1H5* G 351 27.272 40.807 2.070 812 2H5* G 351 2H5* G 351 28.147 41.999 3.030 813 H4* G 351 H4* G 351 27.021 40.663 4.588 814 H3* G 351 H3* G 351 29.930 39.947 4.393 815 H2* G 351 H2* G 351 29.671 38.331 6.111 816 2HO* G 351 2HO* G 351 28.160 39.820 7.182 817 H1* G 351 H1* G 351 27.426 37.151 4.981 818 H8 G 351 H8 G 351 30.014 38.445 2.525 819 H1 G 351 H1 G 351 30.839 32.285 4.332 820 1H2 G 351 1H2 G 351 29.505 31.824 5.837 821 2H2 G 351 2H2 G 351 28.337 32.940 6.507 822 1H5* C 352 1H5* C 352 29.175 41.005 8.431 823 2H5* C 352 2H5* C 352 30.564 41.624 9.322 824 H4* C 352 H4* C 352 29.766 39.489 10.215 825 H3* C 352 H3* C 352 32.544 39.655 9.096 826 H2* C 352 H2* C 352 32.956 37.396 9.689 827 2HO* C 352 2HO* C 352 31.707 36.556 11.307 828 H1* C 352 H1* C 352 30.428 36.568 8.647 829 1H4 C 352 1H4 C 352 34.672 34.776 4.227 830 2H4 C 352 2H4 C 352 34.744 36.422 3.642 831 H5 C 352 H5 C 352 33.637 38.235 4.675 832 H6 C 352 H6 C 352 32.174 38.920 6.542 833 1H5* A 353 1H5* A 353 33.128 39.962 13.715 834 2H5* A 353 2H5* A 353 34.319 41.229 14.011 835 H4* A 353 H4* A 353 35.112 39.113 14.867 836 H3* A 353 H3* A 353 36.600 40.352 12.591 837 H2* A 353 H2* A 353 38.151 38.553 12.528 838 2HO* A 353 2HO* A 353 37.143 36.913 14.412 839 H1* A 353 H1* A 353 36.145 36.593 12.552 840 H8 A 353 H8 A 353 36.028 39.889 10.585 841 1H6 A 353 1H6 A 353 37.262 36.359 5.588 842 2H6 A 353 2H6 A 353 36.925 37.990 6.124 843 H2 A 353 H2 A 353 37.218 33.731 9.171 844 1H5* A 354 1H5* A 354 39.337 38.876 15.539 845 2H5* A 354 2H5* A 354 40.827 39.819 15.586 846 H4* A 354 H4* A 354 41.262 37.482 15.051 847 H3* A 354 H3* A 354 41.906 39.556 12.976 848 H2* A 354 H2* A 354 42.816 37.882 11.561 849 2HO* A 354 2HO* A 354 43.139 36.815 13.974 850 H1* A 354 H1* A 354 40.619 36.154 11.926 851 H8 A 354 H8 A 354 39.482 39.687 11.560 852 1H6 A 354 1H6 A 354 39.569 38.758 5.389 853 2H6 A 354 2H6 A 354 39.077 39.868 6.649 854 H2 A 354 H2 A 354 41.492 35.264 7.349 855 1H5* C 355 1H5* C 355 45.638 37.704 13.241 856 2H5* C 355 2H5* C 355 46.890 38.935 13.401 857 H4* C 355 H4* C 355 47.373 37.691 11.444 858 H3* C 355 H3* C 355 46.241 40.420 10.848 859 H2* C 355 H2* C 355 46.659 40.059 8.544 860 2HO* C 355 2HO* C 355 48.664 38.879 9.400 861 H1* C 355 H1* C 355 45.631 37.408 8.645 862 1H4 C 355 1H4 C 355 40.964 40.916 6.049 863 2H4 C 355 2H4 C 355 40.467 41.408 7.653 864 H5 C 355 H5 C 355 41.646 40.856 9.623 865 H6 C 355 H6 C 355 43.613 39.683 10.549 866 1H5* C 356 1H5* C 356 50.490 40.274 9.881 867 2H5* C 356 2H5* C 356 51.316 41.780 9.478 868 H4* C 356 H4* C 356 50.989 40.364 7.515 869 H3* C 356 H3* C 356 49.625 43.040 7.587 870 H2* C 356 H2* C 356 48.851 42.711 5.366 871 2HO* C 356 2HO* C 356 49.747 40.870 4.217 872 H1* C 356 H1* C 356 48.000 40.063 5.932 873 1H4 C 356 1H4 C 356 42.649 43.531 6.179 874 2H4 C 356 2H4 C 356 43.097 44.100 7.772 875 H5 C 356 H5 C 356 45.156 43.600 8.816 876 H6 C 356 H6 C 356 47.314 42.421 8.586 877 1H5* C 357 1H5* C 357 51.886 42.452 4.531 878 2H5* C 357 2H5* C 357 53.458 43.180 4.204 879 H4* C 357 H4* C 357 52.629 43.215 2.100 880 H3* C 357 H3* C 357 51.750 45.773 3.372 881 H2* C 357 H2* C 357 50.478 46.376 1.468 882 2HO* C 357 2HO* C 357 51.711 44.007 0.387 883 H1* C 357 H1* C 357 49.150 43.980 1.240 884 1H4 C 357 1H4 C 357 45.582 47.417 5.286 885 2H4 C 357 2H4 C 357 46.498 46.746 6.617 886 H5 C 357 H5 C 357 48.395 45.366 6.345 887 H6 C 357 H6 C 357 49.896 44.279 4.713 888 1H5* U 358 1H5* U 358 51.799 46.991 -0.358 889 2H5* U 358 2H5* U 358 53.116 48.153 -0.511 890 H4* U 358 H4* U 358 51.308 49.302 -1.378 891 H3* U 358 H3* U 358 51.636 50.075 1.517 892 H2* U 358 H2* U 358 49.915 51.685 1.247 893 2HO* U 358 2HO* U 358 49.137 51.921 -1.041 894 H1* U 358 H1* U 358 48.234 49.872 -0.121 895 H3 U 358 H3 U 358 45.888 50.346 3.694 896 H5 U 358 H5 U 358 49.346 48.341 4.943 897 H6 U 358 H6 U 358 50.209 48.615 2.664 898 1H5* G 359 1H5* G 359 51.575 53.087 -1.148 899 2H5* G 359 2H5* G 359 52.610 54.511 -1.030 900 H4* G 359 H4* G 359 50.412 55.318 -1.260 901 H3* G 359 H3* G 359 51.449 55.536 1.546 902 H2* G 359 H2* G 359 49.436 56.568 2.249 903 2HO* G 359 2HO* G 359 47.919 57.139 0.488 904 H1* G 359 H1* G 359 47.836 54.680 0.838 905 H8 G 359 H8 G 359 50.529 52.947 2.705 906 H1 G 359 H1 G 359 45.473 54.511 6.431 907 1H2 G 359 1H2 G 359 44.226 55.789 5.399 908 2H2 G 359 2H2 G 359 44.508 56.354 3.767 909 1H5* G 360 1H5* G 360 50.336 59.187 -0.102 910 2H5* G 360 2H5* G 360 51.372 60.606 0.039 911 H4* G 360 H4* G 360 49.339 61.400 0.779 912 H3* G 360 H3* G 360 51.003 60.588 3.141 913 H2* G 360 H2* G 360 49.281 61.286 4.623 914 2HO* G 360 2HO* G 360 47.316 62.165 3.273 915 H1* G 360 H1* G 360 47.284 59.914 3.197 916 H8 G 360 H8 G 360 50.428 57.904 3.359 917 H1 G 360 H1 G 360 46.730 57.346 8.640 918 1H2 G 360 1H2 G 360 45.222 58.751 8.576 919 2H2 G 360 2H2 G 360 44.994 59.909 7.285 920 1H5* G 361 1H5* G 361 50.945 65.047 2.824 921 2H5* G 361 2H5* G 361 52.315 65.921 3.511 922 H4* G 361 H4* G 361 50.461 66.305 4.930 923 H3* G 361 H3* G 361 52.502 64.427 6.069 924 H2* G 361 H2* G 361 51.258 64.252 8.090 925 2HO* G 361 2HO* G 361 50.669 66.532 7.879 926 H1* G 361 H1* G 361 48.841 63.774 6.718 927 H8 G 361 H8 G 361 51.649 61.930 5.106 928 H1 G 361 H1 G 361 49.195 58.874 10.255 929 1H2 G 361 1H2 G 361 47.913 60.139 11.260 930 2H2 G 361 2H2 G 361 47.556 61.783 10.780 931 1H5* A 362 1H5* A 362 52.105 68.165 8.029 932 2H5* A 362 2H5* A 362 53.423 69.061 8.783 933 H4* A 362 H4* A 362 51.822 68.733 10.470 934 H3* A 362 H3* A 362 54.166 66.876 10.740 935 H2* A 362 H2* A 362 53.260 65.996 12.749 936 2HO* A 362 2HO* A 362 50.933 67.353 12.913 937 H1* A 362 H1* A 362 50.721 65.592 11.685 938 H8 A 362 H8 A 362 53.045 64.848 8.926 939 1H6 A 362 1H6 A 362 53.872 59.192 11.432 940 2H6 A 362 2H6 A 362 54.170 60.171 10.013 941 H2 A 362 H2 A 362 51.687 61.709 14.371 942 1H5* G 363 1H5* G 363 53.094 67.959 14.688 943 2H5* G 363 2H5* G 363 54.604 68.091 15.589 944 H4* G 363 H4* G 363 52.857 66.249 16.189 945 H3* G 363 H3* G 363 55.845 65.964 16.122 946 H2* G 363 H2* G 363 55.666 63.710 16.836 947 2HO* G 363 2HO* G 363 53.973 63.468 18.170 948 H1* G 363 H1* G 363 53.715 63.034 14.977 949 H8 G 363 H8 G 363 55.864 65.406 13.181 950 H1 G 363 H1 G 363 58.597 59.567 13.746 951 1H2 G 363 1H2 G 363 57.538 58.439 15.110 952 2H2 G 363 2H2 G 363 56.120 58.993 15.971 953 1H5* A 364 1H5* A 364 56.589 67.545 21.556 954 2H5* A 364 2H5* A 364 56.392 68.846 20.382 955 H4* A 364 H4* A 364 58.575 67.914 19.328 956 H3* A 364 H3* A 364 58.559 66.470 21.960 957 H2* A 364 H2* A 364 60.892 66.822 22.198 958 2HO* A 364 2HO* A 364 62.034 67.175 20.338 959 H1* A 364 H1* A 364 60.652 69.556 21.399 960 H8 A 364 H8 A 364 60.634 71.023 23.517 961 1H6 A 364 1H6 A 364 59.844 67.637 28.700 962 2H6 A 364 2H6 A 364 60.250 69.227 28.094 963 H2 A 364 H2 A 364 59.089 65.012 25.196 964 1H5* G 365 1H5* G 365 57.971 61.796 19.243 965 2H5* G 365 2H5* G 365 58.055 61.671 21.000 966 H4* G 365 H4* G 365 60.087 60.856 18.943 967 H3* G 365 H3* G 365 58.272 59.298 20.185 968 H2* G 365 H2* G 365 58.946 59.749 22.418 969 2HO* G 365 2HO* G 365 59.021 57.497 21.700 970 H1* G 365 H1* G 365 61.834 59.477 21.434 971 H8 G 365 H8 G 365 60.899 62.634 23.049 972 H1 G 365 H1 G 365 63.303 58.352 27.264 973 1H2 G 365 1H2 G 365 63.399 56.492 26.376 974 2H2 G 365 2H2 G 365 62.903 56.145 24.736 975 1H5* G 366 1H5* G 366 57.399 56.394 19.245 976 2H5* G 366 2H5* G 366 58.659 55.795 20.324 977 H4* G 366 H4* G 366 58.070 54.350 17.759 978 H3* G 366 H3* G 366 55.882 54.649 19.097 979 H2* G 366 H2* G 366 56.772 54.436 21.313 980 2HO* G 366 2HO* G 366 55.849 52.152 21.721 981 H1* G 366 H1* G 366 58.026 51.779 20.523 982 H8 G 366 H8 G 366 60.098 54.733 21.492 983 H1 G 366 H1 G 366 59.015 50.621 26.371 984 1H2 G 366 1H2 G 366 57.594 49.240 25.805 985 2H2 G 366 2H2 G 366 56.811 49.200 24.241 986 1H5* U 367 1H5* U 367 53.912 53.331 19.188 987 2H5* U 367 2H5* U 367 52.824 52.843 17.890 988 H4* U 367 H4* U 367 52.305 54.856 19.576 989 H3* U 367 H3* U 367 51.439 54.418 16.739 990 H2* U 367 H2* U 367 50.307 56.503 16.722 991 2HO* U 367 2HO* U 367 50.115 57.595 18.799 992 H1* U 367 H1* U 367 52.438 57.944 17.747 993 H3 U 367 H3 U 367 52.844 59.179 13.447 994 H5 U 367 H5 U 367 53.817 55.107 13.345 995 H6 U 367 H6 U 367 53.229 55.008 15.723 996 1H5* C 368 1H5* C 368 48.457 55.657 18.598 997 2H5* C 368 2H5* C 368 46.854 54.924 18.571 998 H4* C 368 H4* C 368 46.608 57.142 17.792 999 H3* C 368 H3* C 368 46.495 55.135 15.540 1000 H2* C 368 H2* C 368 45.862 56.887 14.079 1001 2HO* C 368 2HO* C 368 44.565 58.262 15.146 1002 H1* C 368 H1* C 368 47.806 58.662 15.171 1003 1H4 C 368 1H4 C 368 50.348 56.673 9.662 1004 2H4 C 368 2H4 C 368 50.808 55.169 10.428 1005 H5 C 368 H5 C 368 50.213 54.581 12.637 1006 H6 C 368 H6 C 368 49.018 55.298 14.675 1007 1H5* C 369 1H5* C 369 42.998 56.902 16.300 1008 2H5* C 369 2H5* C 369 41.349 56.274 16.289 1009 H4* C 369 H4* C 369 41.213 57.725 14.545 1010 H3* C 369 H3* C 369 42.152 55.126 13.341 1011 H2* C 369 H2* C 369 42.042 56.122 11.190 1012 2HO* C 369 2HO* C 369 41.162 58.579 12.284 1013 H1* C 369 H1* C 369 43.345 58.477 12.051 1014 1H4 C 369 1H4 C 369 48.195 55.243 9.516 1015 2H4 C 369 2H4 C 369 47.945 53.923 10.636 1016 H5 C 369 H5 C 369 46.205 53.863 12.232 1017 H6 C 369 H6 C 369 44.258 55.067 13.156 1018 1H5* C 370 1H5* C 370 38.725 56.489 11.833 1019 2H5* C 370 2H5* C 370 37.377 55.561 11.178 1020 H4* C 370 H4* C 370 38.196 56.779 9.363 1021 H3* C 370 H3* C 370 39.240 53.952 9.274 1022 H2* C 370 H2* C 370 40.179 54.410 7.142 1023 2HO* C 370 2HO* C 370 38.265 55.697 6.623 1024 H1* C 370 H1* C 370 41.251 56.888 8.006 1025 1H4 C 370 1H4 C 370 46.255 52.961 8.340 1026 2H4 C 370 2H4 C 370 45.540 52.145 9.712 1027 H5 C 370 H5 C 370 43.396 52.640 10.568 1028 H6 C 370 H6 C 370 41.387 54.054 10.313 1029 1H5* A 371 1H5* A 371 36.206 54.537 5.815 1030 2H5* A 371 2H5* A 371 35.609 52.942 5.359 1031 H4* A 371 H4* A 371 36.566 54.184 3.465 1032 H3* A 371 H3* A 371 37.784 51.564 4.284 1033 H2* A 371 H2* A 371 39.274 51.668 2.431 1034 2HO* A 371 2HO* A 371 38.421 52.746 0.752 1035 H1* A 371 H1* A 371 40.097 54.266 2.991 1036 H8 A 371 H8 A 371 39.600 52.700 6.284 1037 1H6 A 371 1H6 A 371 45.227 50.075 5.653 1038 2H6 A 371 2H6 A 371 43.928 50.390 6.782 1039 H2 A 371 H2 A 371 44.058 51.817 1.736 1040 1H5* G 372 1H5* G 372 37.028 51.346 0.084 1041 2H5* G 372 2H5* G 372 36.118 49.876 -0.264 1042 H4* G 372 H4* G 372 37.935 49.917 -1.768 1043 H3* G 372 H3* G 372 38.321 47.952 0.474 1044 H2* G 372 H2* G 372 40.339 47.204 -0.532 1045 2HO* G 372 2HO* G 372 40.297 48.985 -2.656 1046 H1* G 372 H1* G 372 41.313 49.798 -0.939 1047 H8 G 372 H8 G 372 39.570 49.696 2.338 1048 H1 G 372 H1 G 372 45.572 47.289 2.581 1049 1H2 G 372 1H2 G 372 46.295 47.048 0.664 1050 2H2 G 372 2H2 G 372 45.408 47.440 -0.791 1051 1H5* G 373 1H5* G 373 38.703 46.372 -2.971 1052 2H5* G 373 2H5* G 373 37.926 44.942 -3.651 1053 H4* G 373 H4* G 373 40.204 44.575 -3.971 1054 H3* G 373 H3* G 373 39.183 43.054 -1.594 1055 H2* G 373 H2* G 373 41.329 42.101 -1.248 1056 2HO* G 373 2HO* G 373 41.602 41.964 -3.591 1057 H1* G 373 H1* G 373 42.681 44.519 -1.396 1058 H8 G 373 H8 G 373 39.469 45.328 0.220 1059 H1 G 373 H1 G 373 43.628 42.459 4.264 1060 1H2 G 373 1H2 G 373 45.209 41.685 3.191 1061 2H2 G 373 2H2 G 373 45.383 41.796 1.453 1062 1H5* G 374 1H5* G 374 40.673 40.475 -4.602 1063 2H5* G 374 2H5* G 374 40.089 38.817 -4.757 1064 H4* G 374 H4* G 374 42.416 38.770 -4.201 1065 H3* G 374 H3* G 374 40.552 37.852 -2.035 1066 H2* G 374 H2* G 374 42.402 37.294 -0.654 1067 2HO* G 374 2HO* G 374 43.568 36.569 -2.579 1068 H1* G 374 H1* G 374 43.683 39.744 -1.053 1069 H8 G 374 H8 G 374 40.073 40.486 -0.877 1070 H1 G 374 H1 G 374 42.690 39.446 4.950 1071 1H2 G 374 1H2 G 374 44.580 38.653 4.724 1072 2H2 G 374 2H2 G 374 45.343 38.320 3.186 1073 1H5* U 375 1H5* U 375 44.024 34.660 -2.023 1074 2H5* U 375 2H5* U 375 42.928 33.298 -2.255 1075 H4* U 375 H4* U 375 44.370 32.856 -0.384 1076 H3* U 375 H3* U 375 41.470 33.281 0.218 1077 H2* U 375 H2* U 375 41.842 32.911 2.539 1078 2HO* U 375 2HO* U 375 44.532 32.631 2.575 1079 H1* U 375 H1* U 375 44.032 34.687 2.607 1080 H3 U 375 H3 U 375 41.046 37.033 5.030 1081 H5 U 375 H5 U 375 39.422 37.112 1.171 1082 H6 U 375 H6 U 375 41.213 35.581 0.493 1083 1H5* U 376 1H5* U 376 42.576 29.192 1.839 1084 2H5* U 376 2H5* U 376 41.086 28.278 2.076 1085 H4* U 376 H4* U 376 42.449 28.797 4.145 1086 H3* U 376 H3* U 376 39.511 29.339 3.899 1087 H2* U 376 H2* U 376 39.434 30.154 6.127 1088 2HO* U 376 2HO* U 376 42.128 29.152 6.075 1089 H1* U 376 H1* U 376 41.712 31.780 5.777 1090 H3 U 376 H3 U 376 38.061 34.510 6.355 1091 H5 U 376 H5 U 376 38.122 33.577 2.273 1092 H6 U 376 H6 U 376 39.873 31.935 2.776 1093 2H ALA 1 HN ALA 1 91.589 22.017 -27.266 1094 HA ALA 1 HA ALA 1 92.630 24.018 -25.923 1095 1HB ALA 1 1HB ALA 1 91.110 25.718 -26.138 1096 2HB ALA 1 2HB ALA 1 89.742 24.608 -26.386 1097 3HB ALA 1 3HB ALA 1 90.360 24.905 -24.744 1098 H THR 2 HN THR 2 92.434 23.785 -23.497 1099 HA THR 2 HA THR 2 90.981 21.421 -22.633 1100 HB THR 2 HB THR 2 94.022 21.680 -22.729 1101 HG1 THR 2 HG1 THR 2 93.666 19.743 -23.924 1102 1HG2 THR 2 1HG2 THR 2 94.195 19.735 -21.305 1103 2HG2 THR 2 2HG2 THR 2 93.142 20.869 -20.425 1104 3HG2 THR 2 3HG2 THR 2 92.431 19.495 -21.307 1105 H VAL 3 HN VAL 3 90.378 21.478 -20.499 1106 HA VAL 3 HA VAL 3 91.545 23.604 -18.874 1107 HB VAL 3 HB VAL 3 89.281 24.293 -18.164 1108 1HG1 VAL 3 1HG1 VAL 3 89.335 25.939 -19.686 1109 2HG1 VAL 3 2HG1 VAL 3 90.701 25.060 -20.416 1110 3HG1 VAL 3 3HG1 VAL 3 89.051 24.816 -21.038 1111 1HG2 VAL 3 1HG2 VAL 3 87.339 23.698 -19.592 1112 2HG2 VAL 3 2HG2 VAL 3 88.362 22.526 -20.455 1113 3HG2 VAL 3 3HG2 VAL 3 88.015 22.299 -18.724 1114 H VAL 4 HN VAL 4 90.357 23.355 -16.532 1115 HA VAL 4 HA VAL 4 89.894 20.551 -15.960 1116 HB VAL 4 HB VAL 4 92.360 20.922 -15.881 1117 1HG1 VAL 4 1HG1 VAL 4 92.516 23.191 -15.133 1118 2HG1 VAL 4 2HG1 VAL 4 91.600 22.831 -13.650 1119 3HG1 VAL 4 3HG1 VAL 4 93.236 22.163 -13.869 1120 1HG2 VAL 4 1HG2 VAL 4 91.228 20.331 -13.133 1121 2HG2 VAL 4 2HG2 VAL 4 91.079 19.207 -14.507 1122 3HG2 VAL 4 3HG2 VAL 4 92.689 19.656 -13.895 1123 H SER 5 HN SER 5 88.738 20.235 -13.984 1124 HA SER 5 HA SER 5 88.337 22.213 -12.119 1125 1HB SER 5 2HB SER 5 86.080 23.025 -12.631 1126 2HB SER 5 3HB SER 5 87.169 23.429 -13.943 1127 HG SER 5 HG SER 5 85.518 21.055 -13.962 1128 H GLY 6 HN GLY 6 87.052 21.398 -10.362 1129 1HA GLY 6 1HA GLY 6 85.585 18.905 -10.808 1130 2HA GLY 6 2HA GLY 6 86.965 18.853 -9.729 1131 H GLN 7 HN GLN 7 83.810 18.765 -9.471 1132 HA GLN 7 HA GLN 7 83.836 20.380 -7.074 1133 1HB GLN 7 2HB GLN 7 81.912 20.705 -9.387 1134 2HB GLN 7 3HB GLN 7 81.362 21.031 -7.756 1135 1HG GLN 7 2HG GLN 7 83.976 22.269 -8.229 1136 2HG GLN 7 3HG GLN 7 82.822 22.780 -9.445 1137 1HE2 GLN 7 1HE2 GLN 7 83.567 24.754 -8.035 1138 2HE2 GLN 7 2HE2 GLN 7 82.459 25.233 -6.792 1139 H LYS 8 HN LYS 8 81.436 19.939 -5.968 1140 HA LYS 8 HA LYS 8 80.425 17.329 -6.479 1141 1HB LYS 8 2HB LYS 8 81.123 16.242 -4.440 1142 2HB LYS 8 3HB LYS 8 82.537 16.727 -5.353 1143 1HG LYS 8 2HG LYS 8 81.413 18.587 -3.239 1144 2HG LYS 8 3HG LYS 8 82.406 17.228 -2.753 1145 1HD LYS 8 2HD LYS 8 84.193 18.032 -4.377 1146 2HD LYS 8 3HD LYS 8 83.212 19.450 -4.688 1147 1HE LYS 8 2HE LYS 8 83.705 20.414 -2.650 1148 2HE LYS 8 3HE LYS 8 83.675 18.884 -1.796 1149 1HZ LYS 8 1HZ LYS 8 85.821 18.377 -2.719 1150 2HZ LYS 8 2HZ LYS 8 85.846 19.770 -3.569 1151 3HZ LYS 8 3HZ LYS 8 85.887 19.809 -1.937 1152 H GLN 9 HN GLN 9 78.554 16.851 -5.074 1153 HA GLN 9 HA GLN 9 77.698 18.504 -3.081 1154 1HB GLN 9 2HB GLN 9 75.909 19.833 -4.282 1155 2HB GLN 9 3HB GLN 9 77.547 20.361 -4.611 1156 1HG GLN 9 2HG GLN 9 77.046 20.151 -6.818 1157 2HG GLN 9 3HG GLN 9 77.122 18.417 -6.579 1158 1HE2 GLN 9 1HE2 GLN 9 75.604 18.484 -8.394 1159 2HE2 GLN 9 2HE2 GLN 9 73.907 18.627 -8.081 1160 H ASP 10 HN ASP 10 75.439 17.994 -2.410 1161 HA ASP 10 HA ASP 10 73.972 16.151 -3.957 1162 1HB ASP 10 2HB ASP 10 75.993 14.962 -2.499 1163 2HB ASP 10 3HB ASP 10 74.687 14.923 -1.330 1164 H ARG 11 HN ARG 11 71.812 16.456 -3.321 1165 HA ARG 11 HA ARG 11 71.051 16.696 -0.672 1166 1HB ARG 11 2HB ARG 11 70.254 19.111 -0.732 1167 2HB ARG 11 3HB ARG 11 71.997 18.938 -0.681 1168 1HG ARG 11 2HG ARG 11 71.076 18.916 -3.453 1169 2HG ARG 11 3HG ARG 11 70.457 20.332 -2.629 1170 1HD ARG 11 2HD ARG 11 72.843 20.764 -1.782 1171 2HD ARG 11 3HD ARG 11 73.380 19.476 -2.842 1172 HE ARG 11 HE ARG 11 72.942 20.839 -4.732 1173 1HH1 ARG 11 2HH2 ARG 11 71.778 22.375 -1.788 1174 2HH1 ARG 11 1HH2 ARG 11 71.530 23.916 -2.538 1175 1HH2 ARG 11 2HH1 ARG 11 72.614 22.873 -5.722 1176 2HH2 ARG 11 1HH1 ARG 11 72.008 24.201 -4.790 1177 H GLN 12 HN GLN 12 68.923 16.000 -0.658 1178 HA GLN 12 HA GLN 12 66.997 16.986 -2.377 1179 1HB GLN 12 2HB GLN 12 68.586 15.206 -3.760 1180 2HB GLN 12 3HB GLN 12 67.334 14.136 -3.160 1181 1HG GLN 12 2HG GLN 12 65.576 15.541 -4.156 1182 2HG GLN 12 3HG GLN 12 66.753 16.751 -4.626 1183 1HE2 GLN 12 1HE2 GLN 12 66.070 16.540 -6.774 1184 2HE2 GLN 12 2HE2 GLN 12 66.576 15.227 -7.785 1185 H GLY 13 HN GLY 13 64.859 16.013 -1.937 1186 1HA GLY 13 1HA GLY 13 63.985 13.923 -0.691 1187 2HA GLY 13 2HA GLY 13 64.866 14.621 0.653 1188 H GLY 14 HN GLY 14 61.832 14.369 -0.632 1189 1HA GLY 14 1HA GLY 14 60.736 16.396 1.000 1190 2HA GLY 14 2HA GLY 14 60.779 16.950 -0.662 1191 H GLU 15 HN GLU 15 58.619 15.848 1.395 1192 HA GLU 15 HA GLU 15 57.270 14.307 -0.660 1193 1HB GLU 15 2HB GLU 15 57.855 13.445 2.165 1194 2HB GLU 15 3HB GLU 15 56.314 12.983 1.472 1195 1HG GLU 15 2HG GLU 15 57.775 12.213 -0.603 1196 2HG GLU 15 3HG GLU 15 59.101 12.239 0.542 1197 H ARG 16 HN ARG 16 54.827 14.175 -0.197 1198 HA ARG 16 HA ARG 16 54.026 16.504 1.348 1199 1HB ARG 16 2HB ARG 16 52.335 17.045 -0.380 1200 2HB ARG 16 3HB ARG 16 53.938 17.034 -1.089 1201 1HG ARG 16 2HG ARG 16 53.102 15.595 -2.639 1202 2HG ARG 16 3HG ARG 16 53.138 14.375 -1.382 1203 1HD ARG 16 2HD ARG 16 50.825 14.732 -0.811 1204 2HD ARG 16 3HD ARG 16 50.759 16.252 -1.680 1205 HE ARG 16 HE ARG 16 51.441 13.969 -3.389 1206 1HH1 ARG 16 2HH2 ARG 16 48.814 15.854 -2.003 1207 2HH1 ARG 16 1HH2 ARG 16 47.670 15.390 -3.217 1208 1HH2 ARG 16 2HH1 ARG 16 49.932 13.355 -4.992 1209 2HH2 ARG 16 1HH1 ARG 16 48.310 13.959 -4.929 1210 H ARG 17 HN ARG 17 52.570 15.930 2.935 1211 HA ARG 17 HA ARG 17 50.453 14.188 2.363 1212 1HB ARG 17 2HB ARG 17 51.027 12.384 3.996 1213 2HB ARG 17 3HB ARG 17 52.179 12.442 2.676 1214 1HG ARG 17 2HG ARG 17 53.097 14.245 4.741 1215 2HG ARG 17 3HG ARG 17 52.686 12.721 5.500 1216 1HD ARG 17 2HD ARG 17 54.041 11.897 3.196 1217 2HD ARG 17 3HD ARG 17 54.905 13.354 3.642 1218 HE ARG 17 HE ARG 17 54.383 11.497 5.873 1219 1HH1 ARG 17 2HH2 ARG 17 56.638 12.518 3.372 1220 2HH1 ARG 17 1HH2 ARG 17 58.019 11.828 4.156 1221 1HH2 ARG 17 2HH1 ARG 17 56.205 10.585 6.908 1222 2HH2 ARG 17 1HH1 ARG 17 57.772 10.721 6.181 1223 H ARG 18 HN ARG 18 48.780 14.495 3.907 1224 HA ARG 18 HA ARG 18 49.322 16.579 5.778 1225 1HB ARG 18 2HB ARG 18 46.853 16.543 6.144 1226 2HB ARG 18 3HB ARG 18 47.238 16.621 4.437 1227 1HG ARG 18 2HG ARG 18 46.841 14.211 4.174 1228 2HG ARG 18 3HG ARG 18 46.649 14.008 5.904 1229 1HD ARG 18 2HD ARG 18 44.416 14.304 5.549 1230 2HD ARG 18 3HD ARG 18 44.784 16.005 5.344 1231 HE ARG 18 HE ARG 18 44.435 15.787 3.038 1232 1HH1 ARG 18 2HH2 ARG 18 44.851 12.593 4.455 1233 2HH1 ARG 18 1HH2 ARG 18 44.429 11.752 3.001 1234 1HH2 ARG 18 2HH1 ARG 18 43.877 14.678 1.119 1235 2HH2 ARG 18 1HH1 ARG 18 43.871 12.946 1.090 1236 H SER 19 HN SER 19 50.436 13.750 6.122 1237 HA SER 19 HA SER 19 49.108 12.279 7.948 1238 1HB SER 19 2HB SER 19 51.345 11.795 6.812 1239 2HB SER 19 3HB SER 19 52.110 12.795 8.030 1240 HG SER 19 HG SER 19 51.915 11.226 9.488 1241 H GLN 20 HN GLN 20 51.299 15.106 8.533 1242 HA GLN 20 HA GLN 20 50.179 15.200 11.227 1243 1HB GLN 20 2HB GLN 20 52.855 14.835 10.568 1244 2HB GLN 20 3HB GLN 20 52.778 16.566 10.833 1245 1HG GLN 20 2HG GLN 20 51.277 15.589 12.965 1246 2HG GLN 20 3HG GLN 20 52.496 14.344 12.782 1247 1HE2 GLN 20 1HE2 GLN 20 53.055 15.179 14.943 1248 2HE2 GLN 20 2HE2 GLN 20 54.185 16.485 15.075 1249 H LEU 21 HN LEU 21 48.975 16.385 8.878 1250 HA LEU 21 HA LEU 21 49.741 19.074 8.585 1251 1HB LEU 21 2HB LEU 21 47.983 17.285 7.379 1252 2HB LEU 21 3HB LEU 21 46.936 18.516 8.056 1253 HG LEU 21 HG LEU 21 49.088 18.810 5.971 1254 1HD1 LEU 21 1HD1 LEU 21 46.690 20.286 5.467 1255 2HD1 LEU 21 2HD1 LEU 21 47.368 18.902 4.578 1256 3HD1 LEU 21 3HD1 LEU 21 46.258 18.625 5.940 1257 1HD2 LEU 21 1HD2 LEU 21 49.686 20.817 6.695 1258 2HD2 LEU 21 2HD2 LEU 21 48.005 21.369 6.505 1259 3HD2 LEU 21 3HD2 LEU 21 48.552 20.699 8.061 1260 H ASP 22 HN ASP 22 49.979 20.202 10.504 1261 HA ASP 22 HA ASP 22 47.984 19.982 12.508 1262 1HB ASP 22 2HB ASP 22 50.649 20.821 12.392 1263 2HB ASP 22 3HB ASP 22 49.790 22.331 12.616 1264 H ARG 23 HN ARG 23 46.480 21.703 13.131 1265 HA ARG 23 HA ARG 23 45.428 23.100 10.986 1266 1HB ARG 23 2HB ARG 23 45.028 23.472 13.997 1267 2HB ARG 23 3HB ARG 23 44.027 24.244 12.784 1268 1HG ARG 23 2HG ARG 23 44.404 21.221 13.011 1269 2HG ARG 23 3HG ARG 23 43.055 22.094 13.710 1270 1HD ARG 23 2HD ARG 23 43.225 22.949 10.983 1271 2HD ARG 23 3HD ARG 23 43.422 21.209 10.960 1272 HE ARG 23 HE ARG 23 41.275 21.723 12.720 1273 1HH1 ARG 23 2HH2 ARG 23 42.006 22.224 9.316 1274 2HH1 ARG 23 1HH2 ARG 23 40.351 22.128 8.814 1275 1HH2 ARG 23 2HH1 ARG 23 39.091 21.598 12.061 1276 2HH2 ARG 23 1HH1 ARG 23 38.682 21.770 10.386 1277 H ASP 24 HN ASP 24 48.237 23.697 12.781 1278 HA ASP 24 HA ASP 24 48.045 26.545 12.185 1279 1HB ASP 24 2HB ASP 24 48.913 25.089 14.606 1280 2HB ASP 24 3HB ASP 24 50.120 26.233 14.053 1281 H GLN 25 HN GLN 25 49.043 23.967 10.716 1282 HA GLN 25 HA GLN 25 51.806 24.840 10.377 1283 1HB GLN 25 2HB GLN 25 50.673 22.226 10.824 1284 2HB GLN 25 3HB GLN 25 51.380 22.240 9.221 1285 1HG GLN 25 2HG GLN 25 53.531 22.468 10.015 1286 2HG GLN 25 3HG GLN 25 53.053 23.551 11.308 1287 1HE2 GLN 25 1HE2 GLN 25 52.445 20.191 10.278 1288 2HE2 GLN 25 2HE2 GLN 25 52.655 19.447 11.828 1289 H CYS 26 HN CYS 26 52.608 24.079 8.002 1290 HA CYS 26 HA CYS 26 50.643 25.255 6.198 1291 1HB CYS 26 2HB CYS 26 52.787 26.409 6.280 1292 2HB CYS 26 3HB CYS 26 53.648 24.925 5.923 1293 H ALA 27 HN ALA 27 49.690 23.985 4.615 1294 HA ALA 27 HA ALA 27 50.470 21.186 4.564 1295 1HB ALA 27 1HB ALA 27 48.249 22.012 2.841 1296 2HB ALA 27 2HB ALA 27 48.280 20.827 4.168 1297 3HB ALA 27 3HB ALA 27 48.037 22.553 4.523 1298 H TYR 28 HN TYR 28 52.276 23.249 3.444 1299 HA TYR 28 HA TYR 28 52.239 22.295 0.664 1300 1HB TYR 28 2HB TYR 28 51.523 24.776 1.191 1301 2HB TYR 28 3HB TYR 28 53.171 25.027 1.731 1302 HD1 TYR 28 HD1 TYR 28 50.964 25.033 -1.079 1303 HD2 TYR 28 HD2 TYR 28 55.068 24.549 0.026 1304 HE1 TYR 28 HE1 TYR 28 51.674 25.554 -3.463 1305 HE2 TYR 28 HE2 TYR 28 55.765 25.071 -2.363 1306 HH TYR 28 HH TYR 28 54.785 24.933 -4.593 1307 H CYS 29 HN CYS 29 54.289 24.035 3.120 1308 HA CYS 29 HA CYS 29 56.552 22.506 2.086 1309 1HB CYS 29 2HB CYS 29 57.956 24.196 3.246 1310 2HB CYS 29 3HB CYS 29 56.927 24.885 2.007 1311 H LYS 30 HN LYS 30 54.209 22.667 4.590 1312 HA LYS 30 HA LYS 30 53.923 21.359 6.366 1313 1HB LYS 30 2HB LYS 30 56.701 20.286 5.790 1314 2HB LYS 30 3HB LYS 30 55.614 19.656 7.012 1315 1HG LYS 30 2HG LYS 30 54.941 19.830 4.036 1316 2HG LYS 30 3HG LYS 30 55.532 18.383 4.831 1317 1HD LYS 30 2HD LYS 30 53.540 18.522 6.413 1318 2HD LYS 30 3HD LYS 30 52.929 19.856 5.454 1319 1HE LYS 30 2HE LYS 30 53.298 18.117 3.432 1320 2HE LYS 30 3HE LYS 30 53.159 16.937 4.720 1321 1HZ LYS 30 1HZ LYS 30 51.196 19.072 4.256 1322 2HZ LYS 30 2HZ LYS 30 51.040 17.549 3.686 1323 3HZ LYS 30 3HZ LYS 30 51.051 17.821 5.297 1324 H GLU 31 HN GLU 31 55.251 24.110 6.150 1325 HA GLU 31 HA GLU 31 57.026 24.220 8.341 1326 1HB GLU 31 2HB GLU 31 55.800 26.120 6.411 1327 2HB GLU 31 3HB GLU 31 56.157 26.817 7.979 1328 1HG GLU 31 2HG GLU 31 58.076 27.013 6.372 1329 2HG GLU 31 3HG GLU 31 58.501 26.139 7.830 1330 H LYS 32 HN LYS 32 56.471 25.979 10.171 1331 HA LYS 32 HA LYS 32 53.725 25.464 11.071 1332 1HB LYS 32 2HB LYS 32 55.296 23.961 12.237 1333 2HB LYS 32 3HB LYS 32 56.236 25.341 12.769 1334 1HG LYS 32 2HG LYS 32 53.626 26.027 13.532 1335 2HG LYS 32 3HG LYS 32 53.676 24.299 13.817 1336 1HD LYS 32 2HD LYS 32 54.749 24.743 15.767 1337 2HD LYS 32 3HD LYS 32 56.148 25.193 14.814 1338 1HE LYS 32 2HE LYS 32 55.721 27.488 14.997 1339 2HE LYS 32 3HE LYS 32 53.990 27.268 15.156 1340 1HZ LYS 32 1HZ LYS 32 54.948 27.889 17.236 1341 2HZ LYS 32 2HZ LYS 32 54.388 26.361 17.362 1342 3HZ LYS 32 3HZ LYS 32 55.991 26.633 17.211 1343 H GLY 33 HN GLY 33 52.635 27.344 11.195 1344 1HA GLY 33 1HA GLY 33 52.773 29.443 12.619 1345 2HA GLY 33 2HA GLY 33 54.202 29.800 11.669 1346 H HIS 34 HN HIS 34 53.617 29.147 9.087 1347 HA HIS 34 HA HIS 34 51.361 30.919 8.544 1348 1HB HIS 34 2HB HIS 34 52.408 31.501 6.523 1349 2HB HIS 34 3HB HIS 34 53.685 31.486 7.724 1350 HD1 HIS 34 HD1 HIS 34 55.627 29.853 7.385 1351 HD2 HIS 34 HD2 HIS 34 52.482 29.277 4.670 1352 HE1 HIS 34 HE1 HIS 34 56.491 28.218 5.627 1353 H TRP 35 HN TRP 35 49.955 30.372 6.654 1354 HA TRP 35 HA TRP 35 49.499 27.484 6.631 1355 1HB TRP 35 2HB TRP 35 47.795 29.900 6.368 1356 2HB TRP 35 3HB TRP 35 47.345 28.515 5.393 1357 HD1 TRP 35 HD1 TRP 35 48.648 28.466 9.080 1358 HE1 TRP 35 HE1 TRP 35 46.924 27.235 10.652 1359 HE3 TRP 35 HE3 TRP 35 45.126 27.699 5.493 1360 HZ2 TRP 35 HZ2 TRP 35 44.338 26.103 10.229 1361 HZ3 TRP 35 HZ3 TRP 35 43.030 26.523 6.157 1362 HH2 TRP 35 HH2 TRP 35 42.608 25.736 8.432 1363 H ALA 36 HN ALA 36 48.858 26.528 4.463 1364 HA ALA 36 HA ALA 36 50.835 27.015 2.572 1365 1HB ALA 36 1HB ALA 36 49.362 24.937 2.994 1366 2HB ALA 36 2HB ALA 36 48.140 25.753 1.989 1367 3HB ALA 36 3HB ALA 36 49.731 25.346 1.302 1368 H LYS 37 HN LYS 37 47.579 28.390 3.047 1369 HA LYS 37 HA LYS 37 47.331 29.507 0.480 1370 1HB LYS 37 2HB LYS 37 46.073 30.319 3.118 1371 2HB LYS 37 3HB LYS 37 45.567 30.888 1.541 1372 1HG LYS 37 2HG LYS 37 45.749 27.907 2.051 1373 2HG LYS 37 3HG LYS 37 44.365 28.797 2.653 1374 1HD LYS 37 2HD LYS 37 43.970 29.686 0.319 1375 2HD LYS 37 3HD LYS 37 45.300 28.699 -0.254 1376 1HE LYS 37 2HE LYS 37 43.639 26.935 1.249 1377 2HE LYS 37 3HE LYS 37 42.540 27.916 0.300 1378 1HZ LYS 37 1HZ LYS 37 44.724 27.157 -1.274 1379 2HZ LYS 37 2HZ LYS 37 44.081 25.826 -0.580 1380 3HZ LYS 37 3HZ LYS 37 43.143 26.810 -1.487 1381 H ASP 38 HN ASP 38 49.560 30.118 2.970 1382 HA ASP 38 HA ASP 38 50.130 32.686 1.739 1383 1HB ASP 38 2HB ASP 38 49.193 32.334 4.390 1384 2HB ASP 38 3HB ASP 38 50.920 32.566 4.568 1385 H CYS 39 HN CYS 39 51.207 29.962 1.297 1386 HA CYS 39 HA CYS 39 53.597 29.670 2.785 1387 1HB CYS 39 2HB CYS 39 52.353 27.780 1.719 1388 2HB CYS 39 3HB CYS 39 52.837 28.379 0.144 1389 HA PRO 40 HA PRO 40 55.925 32.493 0.388 1390 1HB PRO 40 2HB PRO 40 58.408 31.966 1.400 1391 2HB PRO 40 3HB PRO 40 57.259 33.030 2.186 1392 1HG PRO 40 2HG PRO 40 58.032 30.273 2.918 1393 2HG PRO 40 3HG PRO 40 57.234 31.486 3.899 1394 1HD PRO 40 2HD PRO 40 56.009 29.218 2.642 1395 2HD PRO 40 3HD PRO 40 55.194 30.493 3.525 1396 H LYS 41 HN LYS 41 55.731 29.313 -0.104 1397 HA LYS 41 HA LYS 41 57.972 29.124 -1.911 1398 1HB LYS 41 2HB LYS 41 56.568 27.309 -0.374 1399 2HB LYS 41 3HB LYS 41 55.944 26.997 -1.981 1400 1HG LYS 41 2HG LYS 41 57.920 26.106 -2.707 1401 2HG LYS 41 3HG LYS 41 58.871 27.384 -1.977 1402 1HD LYS 41 2HD LYS 41 57.773 24.893 -0.606 1403 2HD LYS 41 3HD LYS 41 59.457 25.303 -0.868 1404 1HE LYS 41 2HE LYS 41 58.815 27.491 0.538 1405 2HE LYS 41 3HE LYS 41 57.504 26.482 1.116 1406 1HZ LYS 41 1HZ LYS 41 59.661 24.875 1.270 1407 2HZ LYS 41 2HZ LYS 41 60.272 26.326 1.706 1408 3HZ LYS 41 3HZ LYS 41 59.002 25.697 2.518 1409 H LYS 42 HN LYS 42 54.531 29.923 -1.956 1410 HA LYS 42 HA LYS 42 53.780 29.344 -4.483 1411 1HB LYS 42 2HB LYS 42 53.149 31.561 -2.581 1412 2HB LYS 42 3HB LYS 42 52.581 31.718 -4.230 1413 1HG LYS 42 2HG LYS 42 51.834 29.149 -3.810 1414 2HG LYS 42 3HG LYS 42 51.826 29.685 -2.142 1415 1HD LYS 42 2HD LYS 42 50.539 31.765 -3.589 1416 2HD LYS 42 3HD LYS 42 49.917 30.279 -4.280 1417 1HE LYS 42 2HE LYS 42 49.976 29.879 -1.446 1418 2HE LYS 42 3HE LYS 42 49.309 31.480 -1.701 1419 1HZ LYS 42 1HZ LYS 42 47.921 29.228 -1.912 1420 2HZ LYS 42 2HZ LYS 42 47.496 30.629 -2.638 1421 3HZ LYS 42 3HZ LYS 42 48.296 29.482 -3.481 1422 HA PRO 43 HA PRO 43 56.918 31.556 -6.656 1423 1HB PRO 43 2HB PRO 43 56.775 30.097 -8.962 1424 2HB PRO 43 3HB PRO 43 57.815 29.667 -7.619 1425 1HG PRO 43 2HG PRO 43 55.267 28.427 -8.461 1426 2HG PRO 43 3HG PRO 43 56.515 27.773 -7.418 1427 1HD PRO 43 2HD PRO 43 53.991 28.864 -6.600 1428 2HD PRO 43 3HD PRO 43 55.286 28.318 -5.553 1429 H ARG 44 HN ARG 44 57.063 32.671 -8.872 1430 HA ARG 44 HA ARG 44 54.732 33.101 -10.246 1431 1HB ARG 44 2HB ARG 44 54.081 34.214 -8.018 1432 2HB ARG 44 3HB ARG 44 55.328 35.407 -8.328 1433 1HG ARG 44 2HG ARG 44 54.206 36.270 -10.249 1434 2HG ARG 44 3HG ARG 44 53.215 34.836 -10.433 1435 1HD ARG 44 2HD ARG 44 51.753 35.445 -8.685 1436 2HD ARG 44 3HD ARG 44 52.955 36.434 -7.878 1437 HE ARG 44 HE ARG 44 51.230 37.248 -10.127 1438 1HH1 ARG 44 2HH2 ARG 44 54.075 37.997 -8.195 1439 2HH1 ARG 44 1HH2 ARG 44 54.078 39.676 -8.620 1440 1HH2 ARG 44 2HH1 ARG 44 51.234 39.464 -10.687 1441 2HH2 ARG 44 1HH1 ARG 44 52.452 40.516 -10.047 1442 H GLY 45 HN GLY 45 57.043 32.642 -11.353 1443 1HA GLY 45 1HA GLY 45 58.699 33.378 -12.682 1444 2HA GLY 45 2HA GLY 45 57.699 34.791 -12.952 1445 HA PRO 46 HA PRO 46 59.599 35.106 -13.976 1446 1HB PRO 46 2HB PRO 46 62.226 35.432 -14.654 1447 2HB PRO 46 3HB PRO 46 61.074 36.752 -14.620 1448 1HG PRO 46 2HG PRO 46 63.218 36.113 -12.687 1449 2HG PRO 46 3HG PRO 46 62.353 37.621 -12.910 1450 1HD PRO 46 2HD PRO 46 61.943 35.699 -10.820 1451 2HD PRO 46 3HD PRO 46 61.003 37.149 -11.109 1452 H ARG 47 HN ARG 47 61.312 33.757 -15.568 1453 HA ARG 47 HA ARG 47 61.564 31.287 -14.044 1454 1HB ARG 47 2HB ARG 47 61.058 30.066 -16.158 1455 2HB ARG 47 3HB ARG 47 59.742 31.138 -15.719 1456 1HG ARG 47 2HG ARG 47 59.906 32.062 -17.783 1457 2HG ARG 47 3HG ARG 47 61.436 32.757 -17.288 1458 1HD ARG 47 2HD ARG 47 62.341 30.288 -17.907 1459 2HD ARG 47 3HD ARG 47 60.917 30.281 -18.928 1460 HE ARG 47 HE ARG 47 63.296 31.993 -19.243 1461 1HH1 ARG 47 2HH2 ARG 47 59.946 31.435 -20.162 1462 2HH1 ARG 47 1HH2 ARG 47 60.057 32.364 -21.619 1463 1HH2 ARG 47 2HH1 ARG 47 63.444 33.219 -21.165 1464 2HH2 ARG 47 1HH1 ARG 47 62.060 33.387 -22.194 1465 H GLY 48 HN GLY 48 63.693 30.679 -13.817 1466 1HA GLY 48 1HA GLY 48 65.487 30.766 -16.069 1467 2HA GLY 48 2HA GLY 48 65.876 31.937 -14.824 1468 HA PRO 49 HA PRO 49 66.560 27.468 -13.309 1469 1HB PRO 49 2HB PRO 49 67.623 25.811 -15.205 1470 2HB PRO 49 3HB PRO 49 65.924 25.808 -14.774 1471 1HG PRO 49 2HG PRO 49 67.221 26.918 -17.187 1472 2HG PRO 49 3HG PRO 49 65.533 26.525 -16.930 1473 1HD PRO 49 2HD PRO 49 66.707 29.143 -16.913 1474 2HD PRO 49 3HD PRO 49 65.043 28.738 -16.543 1475 H ARG 50 HN ARG 50 68.631 26.161 -12.856 1476 HA ARG 50 HA ARG 50 70.941 27.509 -13.809 1477 1HB ARG 50 2HB ARG 50 70.199 29.021 -11.944 1478 2HB ARG 50 3HB ARG 50 70.235 27.666 -10.834 1479 1HG ARG 50 2HG ARG 50 72.742 28.165 -12.411 1480 2HG ARG 50 3HG ARG 50 72.345 29.351 -11.183 1481 1HD ARG 50 2HD ARG 50 71.957 27.205 -9.646 1482 2HD ARG 50 3HD ARG 50 72.960 26.405 -10.840 1483 HE ARG 50 HE ARG 50 74.820 27.710 -10.159 1484 1HH1 ARG 50 2HH2 ARG 50 71.878 28.801 -8.568 1485 2HH1 ARG 50 1HH2 ARG 50 72.714 29.786 -7.415 1486 1HH2 ARG 50 2HH1 ARG 50 75.924 29.009 -8.638 1487 2HH2 ARG 50 1HH1 ARG 50 75.032 29.905 -7.455 1488 HA PRO 51 HA PRO 51 71.771 23.236 -12.839 1489 1HB PRO 51 2HB PRO 51 73.635 22.824 -14.794 1490 2HB PRO 51 3HB PRO 51 71.917 22.577 -15.040 1491 1HG PRO 51 2HG PRO 51 73.625 24.797 -15.985 1492 2HG PRO 51 3HG PRO 51 72.042 24.309 -16.557 1493 1HD PRO 51 2HD PRO 51 72.639 26.546 -14.864 1494 2HD PRO 51 3HD PRO 51 71.048 25.989 -15.342 1495 H GLN 52 HN GLN 52 73.844 21.908 -12.412 1496 HA GLN 52 HA GLN 52 75.870 23.744 -11.452 1497 1HB GLN 52 2HB GLN 52 74.054 22.872 -9.664 1498 2HB GLN 52 3HB GLN 52 75.108 21.472 -9.635 1499 1HG GLN 52 2HG GLN 52 76.922 23.598 -9.529 1500 2HG GLN 52 3HG GLN 52 75.576 24.199 -8.581 1501 1HE2 GLN 52 1HE2 GLN 52 78.413 22.792 -8.278 1502 2HE2 GLN 52 2HE2 GLN 52 78.191 21.768 -6.898 1503 H THR 53 HN THR 53 77.920 22.466 -10.763 1504 HA THR 53 HA THR 53 78.256 20.281 -12.692 1505 HB THR 53 HB THR 53 80.211 22.181 -11.296 1506 HG1 THR 53 HG1 THR 53 78.571 22.543 -13.288 1507 1HG2 THR 53 1HG2 THR 53 81.217 20.833 -13.669 1508 2HG2 THR 53 2HG2 THR 53 81.922 20.861 -12.035 1509 3HG2 THR 53 3HG2 THR 53 80.728 19.613 -12.468 1510 H SER 54 HN SER 54 79.309 18.324 -12.120 1511 HA SER 54 HA SER 54 79.624 17.913 -9.275 1512 1HB SER 54 2HB SER 54 77.254 17.218 -10.156 1513 2HB SER 54 3HB SER 54 78.087 15.877 -10.917 1514 HG SER 54 HG SER 54 77.178 15.796 -8.520 1515 H LEU 55 HN LEU 55 80.606 15.562 -8.930 1516 HA LEU 55 HA LEU 55 82.715 15.311 -10.919 1517 1HB LEU 55 2HB LEU 55 83.151 15.582 -8.452 1518 2HB LEU 55 3HB LEU 55 82.480 13.980 -8.221 1519 HG LEU 55 HG LEU 55 84.255 13.157 -9.877 1520 1HD1 LEU 55 1HD1 LEU 55 85.562 14.634 -10.888 1521 2HD1 LEU 55 2HD1 LEU 55 84.797 15.964 -9.986 1522 3HD1 LEU 55 3HD1 LEU 55 86.216 15.129 -9.308 1523 1HD2 LEU 55 1HD2 LEU 55 84.208 13.084 -7.258 1524 2HD2 LEU 55 2HD2 LEU 55 85.684 12.641 -8.151 1525 3HD2 LEU 55 3HD2 LEU 55 85.546 14.250 -7.403 1526 H LEU 56 HN LEU 56 80.699 13.012 -8.945 1527 HA LEU 56 HA LEU 56 79.657 11.695 -11.174 1528 1HB LEU 56 2HB LEU 56 81.766 10.889 -11.753 1529 2HB LEU 56 3HB LEU 56 82.231 10.601 -10.088 1530 HG LEU 56 HG LEU 56 80.188 8.869 -10.223 1531 1HD1 LEU 56 1HD1 LEU 56 81.279 8.681 -13.029 1532 2HD1 LEU 56 2HD1 LEU 56 79.872 7.860 -12.313 1533 3HD1 LEU 56 3HD1 LEU 56 79.808 9.607 -12.646 1534 1HD2 LEU 56 1HD2 LEU 56 81.965 7.684 -9.597 1535 2HD2 LEU 56 2HD2 LEU 56 82.253 7.368 -11.324 1536 3HD2 LEU 56 3HD2 LEU 56 83.079 8.722 -10.518 Start of MODEL 15 1 1H5* G 276 1H5* G 276 63.234 34.078 -9.843 2 2H5* G 276 2H5* G 276 64.698 33.663 -10.734 3 H4* G 276 H4* G 276 65.134 33.125 -8.488 4 H3* G 276 H3* G 276 64.579 30.714 -10.181 5 H2* G 276 H2* G 276 64.908 29.277 -8.329 6 2HO* G 276 2HO* G 276 65.454 31.503 -6.652 7 H1* G 276 H1* G 276 63.278 30.686 -6.602 8 H8 G 276 H8 G 276 61.700 31.099 -9.910 9 H1 G 276 H1 G 276 60.567 25.277 -7.322 10 1H2 G 276 1H2 G 276 61.801 24.996 -5.694 11 2H2 G 276 2H2 G 276 62.968 26.162 -5.116 12 1H5* G 277 1H5* G 277 67.146 29.050 -8.058 13 2H5* G 277 2H5* G 277 68.685 28.974 -8.918 14 H4* G 277 H4* G 277 68.492 26.828 -8.125 15 H3* G 277 H3* G 277 67.330 26.870 -10.905 16 H2* G 277 H2* G 277 67.001 24.527 -10.778 17 2HO* G 277 2HO* G 277 68.755 23.765 -9.721 18 H1* G 277 H1* G 277 65.944 24.683 -8.147 19 H8 G 277 H8 G 277 64.450 27.368 -10.199 20 H1 G 277 H1 G 277 61.706 21.601 -11.246 21 1H2 G 277 1H2 G 277 62.850 20.124 -10.372 22 2H2 G 277 2H2 G 277 64.334 20.407 -9.488 23 1H5* C 278 1H5* C 278 70.465 24.166 -10.871 24 2H5* C 278 2H5* C 278 71.334 23.865 -12.375 25 H4* C 278 H4* C 278 70.141 21.880 -11.652 26 H3* C 278 H3* C 278 69.213 23.178 -14.204 27 H2* C 278 H2* C 278 67.687 21.402 -14.550 28 2HO* C 278 2HO* C 278 69.330 19.902 -13.746 29 H1* C 278 H1* C 278 66.847 21.429 -11.828 30 1H4 C 278 1H4 C 278 62.213 24.419 -15.061 31 2H4 C 278 2H4 C 278 63.150 25.895 -14.996 32 H5 C 278 H5 C 278 65.345 26.023 -14.136 33 H6 C 278 H6 C 278 67.201 24.754 -13.115 34 1H5* G 279 1H5* G 279 70.726 19.179 -15.150 35 2H5* G 279 2H5* G 279 71.464 19.088 -16.749 36 H4* G 279 H4* G 279 69.669 17.484 -16.562 37 H3* G 279 H3* G 279 69.188 19.774 -18.462 38 H2* G 279 H2* G 279 67.213 18.679 -19.211 39 2HO* G 279 2HO* G 279 68.337 16.607 -19.007 40 H1* G 279 H1* G 279 66.356 18.156 -16.568 41 H8 G 279 H8 G 279 67.650 21.594 -16.588 42 H1 G 279 H1 G 279 61.768 21.169 -19.255 43 1H2 G 279 1H2 G 279 61.304 19.186 -19.585 44 2H2 G 279 2H2 G 279 62.352 17.840 -19.198 45 1H5* G 280 1H5* G 280 69.209 16.040 -21.664 46 2H5* G 280 2H5* G 280 69.798 17.096 -22.947 47 H4* G 280 H4* G 280 67.611 15.871 -23.359 48 H3* G 280 H3* G 280 67.982 18.821 -23.779 49 H2* G 280 H2* G 280 65.764 18.996 -24.608 50 2HO* G 280 2HO* G 280 65.864 16.130 -24.326 51 H1* G 280 H1* G 280 64.632 17.586 -22.494 52 H8 G 280 H8 G 280 67.377 19.518 -20.982 53 H1 G 280 H1 G 280 62.193 23.174 -22.265 54 1H2 G 280 1H2 G 280 60.888 22.122 -23.467 55 2H2 G 280 2H2 G 280 61.160 20.492 -24.042 56 1H5* U 281 1H5* U 281 66.189 17.759 -26.728 57 2H5* U 281 2H5* U 281 66.887 17.764 -28.347 58 H4* U 281 H4* U 281 64.904 18.860 -28.701 59 H3* U 281 H3* U 281 66.968 20.984 -28.113 60 H2* U 281 H2* U 281 65.344 22.627 -28.620 61 2HO* U 281 2HO* U 281 64.018 21.973 -30.206 62 H1* U 281 H1* U 281 63.311 21.247 -27.177 63 H3 U 281 H3 U 281 63.802 25.195 -24.965 64 H5 U 281 H5 U 281 67.119 22.925 -23.790 65 H6 U 281 H6 U 281 66.458 21.269 -25.474 66 2HO* AP7 282 2HO* A 282 63.593 26.773 -31.999 67 H2* AP7 282 H2* A 282 65.603 26.660 -30.995 68 H3* AP7 282 H3* A 282 67.052 24.899 -31.651 69 H4* AP7 282 H4* A 282 64.671 23.434 -32.783 70 H1* AP7 282 H1* A 282 63.689 24.859 -29.931 71 H8 AP7 282 H8 A 282 67.294 24.090 -29.131 72 H2 AP7 282 H2 A 282 62.864 27.955 -26.527 73 H1 AP7 282 H1 A 282 64.440 28.079 -24.914 74 1H6 AP7 282 1H6 A 282 66.493 27.545 -23.995 75 2H6 AP7 282 2H6 A 282 67.600 26.473 -24.824 76 2H5* AP7 282 2H5* A 282 66.943 22.556 -33.214 77 1H5* AP7 282 1H5* A 282 65.899 21.430 -32.345 78 1H5* C 283 1H5* C 283 65.321 27.537 -34.460 79 2H5* C 283 2H5* C 283 66.408 28.774 -35.092 80 H4* C 283 H4* C 283 64.681 29.739 -33.671 81 H3* C 283 H3* C 283 67.533 29.945 -32.725 82 H2* C 283 H2* C 283 66.817 31.327 -30.932 83 2HO* C 283 2HO* C 283 64.118 31.139 -31.758 84 H1* C 283 H1* C 283 64.696 29.624 -30.236 85 1H4 C 283 1H4 C 283 69.553 28.027 -26.384 86 2H4 C 283 2H4 C 283 70.077 26.869 -27.587 87 H5 C 283 H5 C 283 69.105 26.668 -29.730 88 H6 C 283 H6 C 283 67.374 27.536 -31.263 89 1H5* U 284 1H5* U 284 66.058 33.405 -32.486 90 2H5* U 284 2H5* U 284 66.619 34.693 -33.553 91 H4* U 284 H4* U 284 66.581 35.767 -31.528 92 H3* U 284 H3* U 284 69.357 34.688 -31.943 93 H2* U 284 H2* U 284 70.046 35.668 -29.893 94 2HO* U 284 2HO* U 284 68.947 37.475 -29.394 95 H1* U 284 H1* U 284 67.874 34.680 -28.450 96 H3 U 284 H3 U 284 71.290 32.106 -26.963 97 H5 U 284 H5 U 284 70.480 30.582 -30.777 98 H6 U 284 H6 U 284 68.925 32.452 -31.087 99 1H5* A 285 1H5* A 285 70.291 39.236 -30.866 100 2H5* A 285 2H5* A 285 71.774 39.300 -31.817 101 H4* A 285 H4* A 285 71.885 39.699 -29.269 102 H3* A 285 H3* A 285 73.775 37.964 -30.845 103 H2* A 285 H2* A 285 75.068 37.620 -28.885 104 2HO* A 285 2HO* A 285 74.670 39.870 -28.280 105 H1* A 285 H1* A 285 72.834 37.038 -27.293 106 H8 A 285 H8 A 285 72.280 35.484 -30.605 107 1H6 A 285 1H6 A 285 75.753 30.678 -28.655 108 2H6 A 285 2H6 A 285 74.677 31.229 -29.921 109 H2 A 285 H2 A 285 76.157 33.973 -25.701 110 1H5* G 286 1H5* G 286 76.578 40.722 -28.483 111 2H5* G 286 2H5* G 286 77.819 40.986 -29.709 112 H4* G 286 H4* G 286 78.735 40.062 -27.630 113 H3* G 286 H3* G 286 78.959 38.398 -30.136 114 H2* G 286 H2* G 286 80.358 36.886 -28.952 115 2HO* G 286 2HO* G 286 80.356 38.023 -26.495 116 H1* G 286 H1* G 286 78.621 36.866 -26.705 117 H8 G 286 H8 G 286 76.581 36.598 -29.769 118 H1 G 286 H1 G 286 79.332 30.981 -28.108 119 1H2 G 286 1H2 G 286 80.750 31.313 -26.648 120 2H2 G 286 2H2 G 286 81.136 32.881 -25.974 121 1H5* U 287 1H5* U 287 82.583 39.174 -28.528 122 2H5* U 287 2H5* U 287 84.014 39.357 -29.540 123 H4* U 287 H4* U 287 84.352 37.521 -28.040 124 H3* U 287 H3* U 287 83.932 36.701 -30.915 125 H2* U 287 H2* U 287 84.509 34.484 -30.314 126 2HO* U 287 2HO* U 287 85.548 34.184 -28.278 127 H1* U 287 H1* U 287 82.921 34.584 -27.951 128 H3 U 287 H3 U 287 81.105 31.328 -30.603 129 H5 U 287 H5 U 287 79.643 34.932 -32.159 130 H6 U 287 H6 U 287 81.196 36.095 -30.659 131 1H5* U 288 1H5* U 288 87.179 35.101 -29.820 132 2H5* U 288 2H5* U 288 88.666 35.259 -30.755 133 H4* U 288 H4* U 288 88.406 32.976 -30.643 134 H3* U 288 H3* U 288 87.143 33.910 -33.217 135 H2* U 288 H2* U 288 86.726 31.664 -33.800 136 2HO* U 288 2HO* U 288 88.397 31.169 -31.505 137 H1* U 288 H1* U 288 85.951 31.016 -31.103 138 H3 U 288 H3 U 288 82.323 29.934 -33.641 139 H5 U 288 H5 U 288 82.241 34.115 -33.419 140 H6 U 288 H6 U 288 84.448 34.003 -32.355 141 1H5* G 289 1H5* G 289 89.751 31.324 -34.472 142 2H5* G 289 2H5* G 289 90.675 31.649 -35.938 143 H4* G 289 H4* G 289 89.287 29.829 -36.456 144 H3* G 289 H3* G 289 88.125 32.385 -37.576 145 H2* G 289 H2* G 289 86.521 31.087 -38.715 146 2HO* G 289 2HO* G 289 87.041 28.618 -38.424 147 H1* G 289 H1* G 289 86.233 29.316 -36.455 148 H8 G 289 H8 G 289 85.923 33.057 -35.973 149 H1 G 289 H1 G 289 80.327 30.026 -37.147 150 1H2 G 289 1H2 G 289 80.700 28.059 -37.640 151 2H2 G 289 2H2 G 289 82.291 27.338 -37.723 152 1H5* A 290 1H5* A 290 87.901 33.832 -41.255 153 2H5* A 290 2H5* A 290 87.045 32.705 -40.202 154 H4* A 290 H4* A 290 86.505 33.035 -42.819 155 H3* A 290 H3* A 290 86.054 30.740 -40.964 156 H2* A 290 H2* A 290 85.354 29.327 -42.729 157 2HO* A 290 2HO* A 290 84.228 31.113 -43.733 158 H1* A 290 H1* A 290 87.481 29.841 -44.384 159 H8 A 290 H8 A 290 88.117 30.018 -40.625 160 1H6 A 290 1H6 A 290 90.169 24.148 -41.169 161 2H6 A 290 2H6 A 290 89.982 25.487 -40.059 162 H2 A 290 H2 A 290 88.563 25.430 -45.108 163 1H5* G 291 1H5* G 291 82.683 29.818 -43.674 164 2H5* G 291 2H5* G 291 81.472 29.545 -42.421 165 H4* G 291 H4* G 291 82.044 27.563 -43.865 166 H3* G 291 H3* G 291 82.054 27.503 -40.877 167 H2* G 291 H2* G 291 82.733 25.229 -40.847 168 2HO* G 291 2HO* G 291 82.405 25.514 -43.696 169 H1* G 291 H1* G 291 84.828 25.601 -42.636 170 H8 G 291 H8 G 291 83.963 28.334 -40.108 171 H1 G 291 H1 G 291 88.751 24.355 -38.341 172 1H2 G 291 1H2 G 291 88.957 22.859 -39.745 173 2H2 G 291 2H2 G 291 87.978 22.706 -41.188 174 1H5* A 292 1H5* A 292 76.447 25.766 -41.044 175 2H5* A 292 2H5* A 292 77.574 26.286 -39.792 176 H4* A 292 H4* A 292 77.570 23.847 -41.466 177 H3* A 292 H3* A 292 78.325 24.552 -38.636 178 H2* A 292 H2* A 292 79.574 22.535 -38.503 179 2HO* A 292 2HO* A 292 78.884 21.890 -41.179 180 H1* A 292 H1* A 292 80.780 22.992 -41.034 181 H8 A 292 H8 A 292 80.457 25.819 -38.504 182 1H6 A 292 1H6 A 292 86.329 24.448 -36.895 183 2H6 A 292 2H6 A 292 85.011 25.569 -36.631 184 H2 A 292 H2 A 292 84.952 21.421 -39.842 185 1H5* A 293 1H5* A 293 78.520 20.535 -37.437 186 2H5* A 293 2H5* A 293 77.784 20.807 -35.858 187 H4* A 293 H4* A 293 80.314 20.378 -35.983 188 H3* A 293 H3* A 293 78.997 22.535 -34.362 189 H2* A 293 H2* A 293 81.105 23.194 -33.496 190 2HO* A 293 2HO* A 293 81.727 20.910 -33.421 191 H1* A 293 H1* A 293 82.358 23.270 -35.975 192 H8 A 293 H8 A 293 78.950 24.442 -36.669 193 1H6 A 293 1H6 A 293 80.637 30.046 -34.501 194 2H6 A 293 2H6 A 293 79.388 29.177 -35.364 195 H2 A 293 H2 A 293 83.826 27.133 -33.457 196 1H5* A 294 1H5* A 294 82.336 20.544 -31.523 197 2H5* A 294 2H5* A 294 81.227 20.403 -30.160 198 H4* A 294 H4* A 294 83.323 21.567 -29.591 199 H3* A 294 H3* A 294 80.692 22.975 -29.277 200 H2* A 294 H2* A 294 81.782 24.880 -28.378 201 2HO* A 294 2HO* A 294 84.357 24.226 -28.471 202 H1* A 294 H1* A 294 83.759 24.882 -30.403 203 H8 A 294 H8 A 294 80.428 24.210 -31.896 204 1H6 A 294 1H6 A 294 79.563 30.388 -32.082 205 2H6 A 294 2H6 A 294 78.922 28.851 -32.616 206 H2 A 294 H2 A 294 83.204 29.566 -29.672 207 1H5* C 295 1H5* C 295 82.898 23.132 -26.113 208 2H5* C 295 2H5* C 295 82.394 22.986 -24.430 209 H4* C 295 H4* C 295 83.365 25.103 -24.580 210 H3* C 295 H3* C 295 80.361 25.327 -24.697 211 H2* C 295 H2* C 295 80.565 27.681 -24.626 212 2HO* C 295 2HO* C 295 82.301 27.417 -23.037 213 H1* C 295 H1* C 295 82.739 27.657 -26.484 214 1H4 C 295 1H4 C 295 77.701 29.614 -29.882 215 2H4 C 295 2H4 C 295 77.161 27.956 -30.016 216 H5 C 295 H5 C 295 78.201 26.142 -28.917 217 H6 C 295 H6 C 295 80.034 25.467 -27.406 218 1H5* U 296 1H5* U 296 81.420 27.290 -20.761 219 2H5* U 296 2H5* U 296 79.991 27.157 -19.736 220 H4* U 296 H4* U 296 80.651 29.489 -20.199 221 H3* U 296 H3* U 296 77.937 28.523 -21.071 222 H2* U 296 H2* U 296 77.381 30.711 -21.766 223 2HO* U 296 2HO* U 296 78.273 32.213 -20.480 224 H1* U 296 H1* U 296 79.974 31.099 -22.938 225 H3 U 296 H3 U 296 76.884 31.623 -26.286 226 H5 U 296 H5 U 296 77.363 27.483 -25.866 227 H6 U 296 H6 U 296 78.677 27.940 -23.847 228 1H5* A 297 1H5* A 297 77.433 31.791 -18.126 229 2H5* A 297 2H5* A 297 75.913 31.627 -17.248 230 H4* A 297 H4* A 297 76.039 33.770 -18.382 231 H3* A 297 H3* A 297 73.929 31.830 -19.251 232 H2* A 297 H2* A 297 73.077 33.399 -20.824 233 2HO* A 297 2HO* A 297 73.883 35.560 -20.686 234 H1* A 297 H1* A 297 75.642 33.946 -21.864 235 H8 A 297 H8 A 297 75.478 30.312 -21.331 236 1H6 A 297 1H6 A 297 72.439 29.856 -26.763 237 2H6 A 297 2H6 A 297 73.247 28.941 -25.509 238 H2 A 297 H2 A 297 72.631 34.149 -25.633 239 1H5* G 298 1H5* G 298 72.142 35.662 -19.247 240 2H5* G 298 2H5* G 298 70.751 35.569 -18.168 241 H4* G 298 H4* G 298 70.000 36.565 -20.176 242 H3* G 298 H3* G 298 69.097 33.729 -19.815 243 H2* G 298 H2* G 298 67.863 33.829 -21.845 244 2HO* G 298 2HO* G 298 67.411 35.861 -22.673 245 H1* G 298 H1* G 298 70.040 34.945 -23.260 246 H8 G 298 H8 G 298 71.441 32.303 -21.133 247 H1 G 298 H1 G 298 68.408 29.914 -26.327 248 1H2 G 298 1H2 G 298 67.302 31.403 -27.225 249 2H2 G 298 2H2 G 298 67.209 33.056 -26.655 250 1H5* C 299 1H5* C 299 66.158 35.421 -20.988 251 2H5* C 299 2H5* C 299 64.585 35.419 -20.189 252 H4* C 299 H4* C 299 64.265 34.525 -22.357 253 H3* C 299 H3* C 299 64.170 32.462 -20.177 254 H2* C 299 H2* C 299 63.696 30.771 -21.751 255 2HO* C 299 2HO* C 299 62.478 31.487 -23.399 256 H1* C 299 H1* C 299 65.614 31.837 -23.613 257 1H4 C 299 1H4 C 299 68.178 26.467 -21.250 258 2H4 C 299 2H4 C 299 68.829 27.408 -19.928 259 H5 C 299 H5 C 299 68.334 29.689 -19.568 260 H6 C 299 H6 C 299 67.079 31.647 -20.397 261 1H5* U 300 1H5* U 300 61.123 32.865 -22.954 262 2H5* U 300 2H5* U 300 59.427 32.797 -22.476 263 H4* U 300 H4* U 300 59.502 31.513 -24.405 264 H3* U 300 H3* U 300 59.602 29.730 -21.987 265 H2* U 300 H2* U 300 59.583 27.819 -23.386 266 2HO* U 300 2HO* U 300 59.253 28.317 -25.738 267 H1* U 300 H1* U 300 61.563 28.748 -25.097 268 H3 U 300 H3 U 300 63.956 25.725 -22.776 269 H5 U 300 H5 U 300 63.241 28.739 -19.957 270 H6 U 300 H6 U 300 61.818 29.829 -21.630 271 1H5* C 301 1H5* C 301 55.663 28.875 -23.828 272 2H5* C 301 2H5* C 301 54.660 27.885 -22.768 273 H4* C 301 H4* C 301 55.618 26.642 -24.679 274 H3* C 301 H3* C 301 56.190 25.791 -21.861 275 H2* C 301 H2* C 301 57.455 23.945 -22.629 276 2HO* C 301 2HO* C 301 57.038 24.574 -25.338 277 H1* C 301 H1* C 301 58.791 25.527 -24.595 278 1H4 C 301 1H4 C 301 63.040 24.774 -19.884 279 2H4 C 301 2H4 C 301 62.271 26.077 -19.005 280 H5 C 301 H5 C 301 60.283 27.141 -19.707 281 H6 C 301 H6 C 301 58.526 27.219 -21.440 282 1H5* U 302 1H5* U 302 55.242 22.753 -23.665 283 2H5* U 302 2H5* U 302 53.916 21.657 -23.273 284 H4* U 302 H4* U 302 55.578 20.147 -23.130 285 H3* U 302 H3* U 302 55.612 21.475 -20.431 286 H2* U 302 H2* U 302 57.411 20.066 -19.772 287 2HO* U 302 2HO* U 302 57.772 18.214 -20.994 288 H1* U 302 H1* U 302 58.887 20.558 -22.095 289 H3 U 302 H3 U 302 61.413 23.099 -19.412 290 H5 U 302 H5 U 302 57.661 24.939 -19.131 291 H6 U 302 H6 U 302 56.783 23.142 -20.551 292 1H5* G 303 1H5* G 303 55.418 17.587 -20.036 293 2H5* G 303 2H5* G 303 54.577 16.708 -18.759 294 H4* G 303 H4* G 303 56.847 16.277 -18.401 295 H3* G 303 H3* G 303 55.906 18.448 -16.521 296 H2* G 303 H2* G 303 57.992 18.316 -15.419 297 2HO* G 303 2HO* G 303 58.390 16.036 -17.136 298 H1* G 303 H1* G 303 59.412 18.111 -17.896 299 H8 G 303 H8 G 303 56.965 20.880 -18.043 300 H1 G 303 H1 G 303 62.412 22.507 -14.949 301 1H2 G 303 1H2 G 303 63.526 20.812 -14.579 302 2H2 G 303 2H2 G 303 63.055 19.191 -15.039 303 1H5* U 304 1H5* U 304 56.974 15.066 -14.645 304 2H5* U 304 2H5* U 304 56.489 14.532 -13.036 305 H4* U 304 H4* U 304 58.844 15.169 -13.112 306 H3* U 304 H3* U 304 57.022 16.845 -11.387 307 H2* U 304 H2* U 304 58.907 17.992 -10.562 308 2HO* U 304 2HO* U 304 60.822 16.878 -10.554 309 H1* U 304 H1* U 304 60.133 18.028 -13.175 310 H3 U 304 H3 U 304 59.831 22.380 -11.735 311 H5 U 304 H5 U 304 56.031 21.432 -13.221 312 H6 U 304 H6 U 304 56.780 19.103 -13.373 313 1H5* A 305 1H5* A 305 56.012 16.906 -7.999 314 2H5* A 305 2H5* A 305 57.076 16.977 -9.402 315 H4* A 305 H4* A 305 58.326 15.538 -7.214 316 H3* A 305 H3* A 305 56.993 18.084 -6.489 317 H2* A 305 H2* A 305 58.938 19.042 -5.553 318 2HO* A 305 2HO* A 305 60.582 17.643 -4.946 319 H1* A 305 H1* A 305 60.604 18.522 -7.658 320 H8 A 305 H8 A 305 57.238 18.909 -9.173 321 1H6 A 305 1H6 A 305 58.193 25.075 -9.062 322 2H6 A 305 2H6 A 305 57.141 23.814 -9.667 323 H2 A 305 H2 A 305 61.414 23.128 -6.701 324 1H5* U 306 1H5* U 306 53.863 17.176 -4.307 325 2H5* U 306 2H5* U 306 53.662 18.693 -5.182 326 H4* U 306 H4* U 306 53.329 18.380 -2.504 327 H3* U 306 H3* U 306 53.948 20.813 -4.161 328 H2* U 306 H2* U 306 54.302 22.077 -2.266 329 2HO* U 306 2HO* U 306 52.671 20.041 -1.042 330 H1* U 306 H1* U 306 54.932 19.593 -0.733 331 H3 U 306 H3 U 306 58.832 21.075 0.872 332 H5 U 306 H5 U 306 58.249 23.528 -2.472 333 H6 U 306 H6 U 306 56.222 22.234 -2.945 334 1H5* C 307 1H5* C 307 50.760 20.785 -1.646 335 2H5* C 307 2H5* C 307 49.265 20.037 -2.207 336 H4* C 307 H4* C 307 48.877 21.404 -0.237 337 H3* C 307 H3* C 307 47.573 22.210 -2.810 338 H2* C 307 H2* C 307 46.489 24.039 -1.739 339 2HO* C 307 2HO* C 307 47.784 23.032 0.628 340 H1* C 307 H1* C 307 48.837 24.980 -0.563 341 1H4 C 307 1H4 C 307 48.164 28.055 -6.162 342 2H4 C 307 2H4 C 307 49.322 26.931 -6.837 343 H5 C 307 H5 C 307 50.157 25.047 -5.683 344 H6 C 307 H6 C 307 50.084 23.766 -3.572 345 1H5* U 308 1H5* U 308 43.682 19.167 -1.829 346 2H5* U 308 2H5* U 308 42.470 19.892 -0.774 347 H4* U 308 H4* U 308 42.855 17.586 -0.158 348 H3* U 308 H3* U 308 43.690 19.686 1.818 349 H2* U 308 H2* U 308 44.609 18.114 3.220 350 2HO* U 308 2HO* U 308 43.304 15.890 2.190 351 H1* U 308 H1* U 308 44.845 16.213 0.915 352 H3 U 308 H3 U 308 49.076 15.083 1.780 353 H5 U 308 H5 U 308 48.783 18.853 3.581 354 H6 U 308 H6 U 308 46.482 18.967 2.739 355 1H5* G 309 1H5* G 309 41.100 18.388 5.986 356 2H5* G 309 2H5* G 309 39.910 19.297 5.056 357 H4* G 309 H4* G 309 40.619 20.365 7.199 358 H3* G 309 H3* G 309 40.869 21.810 4.575 359 H2* G 309 H2* G 309 41.675 23.721 5.665 360 2HO* G 309 2HO* G 309 40.054 23.599 7.286 361 H1* G 309 H1* G 309 43.142 22.074 7.576 362 H8 G 309 H8 G 309 43.402 22.342 3.754 363 H1 G 309 H1 G 309 48.313 24.931 7.080 364 1H2 G 309 1H2 G 309 47.941 24.761 9.101 365 2H2 G 309 2H2 G 309 46.512 24.026 9.792 366 1H5* G 310 1H5* G 310 40.263 25.123 5.785 367 2H5* G 310 2H5* G 310 38.622 24.769 6.324 368 H4* G 310 H4* G 310 39.454 27.138 5.272 369 H3* G 310 H3* G 310 36.696 25.911 5.397 370 H2* G 310 H2* G 310 35.839 27.881 4.414 371 2HO* G 310 2HO* G 310 36.986 29.424 5.511 372 H1* G 310 H1* G 310 38.044 28.039 2.582 373 H8 G 310 H8 G 310 36.711 24.630 2.454 374 H1 G 310 H1 G 310 33.000 28.818 -0.797 375 1H2 G 310 1H2 G 310 33.561 30.745 -0.326 376 2H2 G 310 2H2 G 310 34.845 31.164 0.785 377 1H5* C 311 1H5* C 311 36.693 29.460 7.637 378 2H5* C 311 2H5* C 311 35.802 29.490 9.158 379 H4* C 311 H4* C 311 34.893 31.226 7.878 380 H3* C 311 H3* C 311 33.111 28.795 7.798 381 H2* C 311 H2* C 311 31.487 30.072 6.629 382 2HO* C 311 2HO* C 311 33.227 32.329 6.785 383 H1* C 311 H1* C 311 33.415 31.153 4.862 384 1H4 C 311 1H4 C 311 30.649 26.360 1.657 385 2H4 C 311 2H4 C 311 31.780 25.248 2.396 386 H5 C 311 H5 C 311 33.323 25.865 4.076 387 H6 C 311 H6 C 311 34.167 27.717 5.472 388 1H5* G 312 1H5* G 312 30.155 32.283 9.680 389 2H5* G 312 2H5* G 312 28.831 31.146 9.934 390 H4* G 312 H4* G 312 28.811 33.156 8.120 391 H3* G 312 H3* G 312 27.283 30.586 8.280 392 H2* G 312 H2* G 312 26.278 30.995 6.167 393 2HO* G 312 2HO* G 312 27.698 33.493 6.399 394 H1* G 312 H1* G 312 28.647 31.548 4.866 395 H8 G 312 H8 G 312 29.878 29.058 7.163 396 H1 G 312 H1 G 312 25.999 26.390 2.721 397 1H2 G 312 1H2 G 312 24.947 27.872 1.746 398 2H2 G 312 2H2 G 312 25.093 29.582 2.082 399 1H5* G 313 1H5* G 313 24.791 33.064 5.858 400 2H5* G 313 2H5* G 313 23.439 33.330 6.958 401 H4* G 313 H4* G 313 22.480 32.650 4.928 402 H3* G 313 H3* G 313 22.524 30.436 6.957 403 H2* G 313 H2* G 313 21.383 29.008 5.453 404 2HO* G 313 2HO* G 313 20.123 30.951 4.801 405 H1* G 313 H1* G 313 23.002 29.571 3.276 406 H8 G 313 H8 G 313 24.870 29.598 6.558 407 H1 G 313 H1 G 313 24.482 23.777 3.756 408 1H2 G 313 1H2 G 313 23.208 23.875 2.139 409 2H2 G 313 2H2 G 313 22.369 25.320 1.618 410 1H5* A 314 1H5* A 314 18.270 30.715 5.358 411 2H5* A 314 2H5* A 314 17.318 29.786 6.515 412 H4* A 314 H4* A 314 17.534 28.896 4.123 413 H3* A 314 H3* A 314 17.890 27.257 6.612 414 H2* A 314 H2* A 314 18.216 25.302 5.299 415 2HO* A 314 2HO* A 314 16.591 26.256 3.781 416 H1* A 314 H1* A 314 20.126 26.444 3.658 417 H8 A 314 H8 A 314 20.243 27.795 7.181 418 1H6 A 314 1H6 A 314 24.270 23.186 8.402 419 2H6 A 314 2H6 A 314 23.531 24.633 9.052 420 H2 A 314 H2 A 314 22.648 22.568 4.311 421 1H5* C 315 1H5* C 315 16.931 24.338 4.059 422 2H5* C 315 2H5* C 315 15.329 23.819 4.578 423 H4* C 315 H4* C 315 17.047 22.006 4.427 424 H3* C 315 H3* C 315 15.026 22.216 6.288 425 H2* C 315 H2* C 315 16.358 22.925 8.093 426 2HO* C 315 2HO* C 315 15.521 20.999 8.788 427 H1* C 315 H1* C 315 18.633 21.093 7.304 428 1H4 C 315 1H4 C 315 22.082 25.230 10.669 429 2H4 C 315 2H4 C 315 20.971 26.528 10.294 430 H5 C 315 H5 C 315 19.048 26.266 8.949 431 H6 C 315 H6 C 315 17.703 24.677 7.620 432 1H5* C 316 1H5* C 316 14.119 19.558 3.435 433 2H5* C 316 2H5* C 316 13.542 17.893 3.498 434 H4* C 316 H4* C 316 15.089 17.971 1.733 435 H3* C 316 H3* C 316 16.337 16.745 4.196 436 H2* C 316 H2* C 316 18.219 16.170 2.884 437 2HO* C 316 2HO* C 316 16.678 15.604 1.142 438 H1* C 316 H1* C 316 18.201 18.704 1.555 439 1H4 C 316 1H4 C 316 23.029 19.000 5.735 440 2H4 C 316 2H4 C 316 21.885 19.420 6.991 441 H5 C 316 H5 C 316 19.544 19.441 6.684 442 H6 C 316 H6 C 316 17.705 19.062 5.080 443 1H5* C 317 1H5* C 317 15.878 13.530 1.320 444 2H5* C 317 2H5* C 317 15.622 11.946 2.054 445 H4* C 317 H4* C 317 17.627 11.837 0.786 446 H3* C 317 H3* C 317 18.131 11.946 3.761 447 H2* C 317 H2* C 317 20.420 11.511 3.338 448 2HO* C 317 2HO* C 317 19.493 11.152 0.633 449 H1* C 317 H1* C 317 20.495 13.354 1.168 450 1H4 C 317 1H4 C 317 23.210 16.549 5.971 451 2H4 C 317 2H4 C 317 21.644 16.765 6.718 452 H5 C 317 H5 C 317 19.648 15.812 5.890 453 H6 C 317 H6 C 317 18.654 14.402 4.124 454 1H5* G 318 1H5* G 318 19.590 8.559 2.142 455 2H5* G 318 2H5* G 318 19.064 6.992 2.756 456 H4* G 318 H4* G 318 21.342 6.711 2.643 457 H3* G 318 H3* G 318 20.643 7.586 5.432 458 H2* G 318 H2* G 318 22.924 7.419 6.064 459 2HO* G 318 2HO* G 318 24.161 6.046 4.871 460 H1* G 318 H1* G 318 23.866 8.841 3.866 461 H8 G 318 H8 G 318 20.557 10.120 5.145 462 H1 G 318 H1 G 318 25.716 12.683 8.095 463 1H2 G 318 1H2 G 318 27.419 11.684 7.497 464 2H2 G 318 2H2 G 318 27.444 10.351 6.366 465 1H5* U 319 1H5* U 319 22.352 4.820 6.230 466 2H5* U 319 2H5* U 319 22.239 3.522 7.418 467 H4* U 319 H4* U 319 22.622 6.359 7.808 468 H3* U 319 H3* U 319 22.924 3.871 9.469 469 H2* U 319 H2* U 319 23.138 5.217 11.426 470 2HO* U 319 2HO* U 319 22.702 7.589 9.960 471 H1* U 319 H1* U 319 20.856 6.744 10.736 472 H3 U 319 H3 U 319 18.910 4.669 14.186 473 H5 U 319 H5 U 319 20.124 1.464 11.780 474 H6 U 319 H6 U 319 21.156 3.108 10.282 475 1H5* G 320 1H5* G 320 25.469 6.528 7.651 476 2H5* G 320 2H5* G 320 25.794 6.445 5.920 477 H4* G 320 H4* G 320 28.134 5.575 6.632 478 H3* G 320 H3* G 320 27.042 6.323 9.264 479 H2* G 320 H2* G 320 28.863 7.714 9.872 480 2HO* G 320 2HO* G 320 30.240 6.140 8.653 481 H1* G 320 H1* G 320 28.830 9.252 7.619 482 H8 G 320 H8 G 320 25.300 8.433 7.749 483 H1 G 320 H1 G 320 26.946 12.537 12.476 484 1H2 G 320 1H2 G 320 29.000 12.603 12.647 485 2H2 G 320 2H2 G 320 30.110 11.683 11.658 486 1H5* G 321 1H5* G 321 31.382 5.479 10.142 487 2H5* G 321 2H5* G 321 31.263 4.422 11.549 488 H4* G 321 H4* G 321 32.710 6.352 11.960 489 H3* G 321 H3* G 321 30.230 6.001 13.605 490 H2* G 321 H2* G 321 30.752 7.936 14.883 491 2HO* G 321 2HO* G 321 33.152 7.825 13.294 492 H1* G 321 H1* G 321 31.327 9.450 12.546 493 H8 G 321 H8 G 321 28.235 7.715 11.759 494 H1 G 321 H1 G 321 27.242 12.537 15.960 495 1H2 G 321 1H2 G 321 29.051 13.174 16.717 496 2H2 G 321 2H2 G 321 30.606 12.503 16.278 497 1H5* U 322 1H5* U 322 33.378 4.920 16.723 498 2H5* U 322 2H5* U 322 32.506 4.076 18.002 499 H4* U 322 H4* U 322 33.245 6.448 18.490 500 H3* U 322 H3* U 322 30.437 5.467 18.905 501 H2* U 322 H2* U 322 29.797 7.570 19.768 502 2HO* U 322 2HO* U 322 32.362 7.457 20.418 503 H1* U 322 H1* U 322 31.290 8.949 17.728 504 H3 U 322 H3 U 322 26.994 10.412 17.251 505 H5 U 322 H5 U 322 27.000 6.575 15.573 506 H6 U 322 H6 U 322 29.274 6.303 16.449 507 1H5* G 323 1H5* G 323 31.394 6.165 23.330 508 2H5* G 323 2H5* G 323 30.943 4.590 23.985 509 H4* G 323 H4* G 323 29.647 6.119 25.178 510 H3* G 323 H3* G 323 28.036 4.824 22.994 511 H2* G 323 H2* G 323 26.091 5.955 23.779 512 2HO* G 323 2HO* G 323 27.522 7.339 25.764 513 H1* G 323 H1* G 323 27.376 8.440 23.861 514 H8 G 323 H8 G 323 28.565 6.549 20.883 515 H1 G 323 H1 G 323 22.868 9.474 19.947 516 1H2 G 323 1H2 G 323 22.148 10.172 21.750 517 2H2 G 323 2H2 G 323 22.965 9.989 23.286 518 1H5* G 324 1H5* G 324 25.058 1.851 23.895 519 2H5* G 324 2H5* G 324 25.158 2.099 22.153 520 H4* G 324 H4* G 324 24.654 4.644 23.123 521 H3* G 324 H3* G 324 23.575 2.740 25.078 522 H2* G 324 H2* G 324 21.323 3.411 24.902 523 2HO* G 324 2HO* G 324 21.198 5.547 24.548 524 H1* G 324 H1* G 324 21.096 3.292 22.211 525 H8 G 324 H8 G 324 23.683 0.809 22.401 526 H1 G 324 H1 G 324 18.208 -1.388 25.061 527 1H2 G 324 1H2 G 324 16.918 0.189 25.385 528 2H2 G 324 2H2 G 324 17.269 1.858 24.994 529 1H5* A 325 1H5* A 325 21.691 6.075 26.470 530 2H5* A 325 2H5* A 325 22.218 6.441 28.113 531 H4* A 325 H4* A 325 19.888 6.305 28.240 532 H3* A 325 H3* A 325 21.236 3.858 29.300 533 H2* A 325 H2* A 325 19.160 2.823 29.774 534 2HO* A 325 2HO* A 325 18.168 5.415 29.005 535 H1* A 325 H1* A 325 18.039 3.360 27.292 536 H8 A 325 H8 A 325 21.618 2.721 26.647 537 1H6 A 325 1H6 A 325 20.314 -3.381 26.801 538 2H6 A 325 2H6 A 325 21.544 -2.204 26.398 539 H2 A 325 H2 A 325 16.758 -1.162 28.277 540 1H5* A 326 1H5* A 326 20.147 5.011 33.732 541 2H5* A 326 2H5* A 326 21.077 3.652 34.362 542 H4* A 326 H4* A 326 18.435 3.596 34.163 543 H3* A 326 H3* A 326 20.436 1.393 33.949 544 H2* A 326 H2* A 326 18.753 -0.191 33.369 545 2HO* A 326 2HO* A 326 17.065 2.095 33.833 546 H1* A 326 H1* A 326 17.715 1.359 31.321 547 H8 A 326 H8 A 326 21.133 2.250 30.826 548 1H6 A 326 1H6 A 326 22.294 -3.432 28.523 549 2H6 A 326 2H6 A 326 22.927 -1.808 28.676 550 H2 A 326 H2 A 326 18.347 -3.539 30.559 551 1H5* C 327 1H5* C 327 17.388 -0.611 36.443 552 2H5* C 327 2H5* C 327 18.358 -1.399 37.689 553 H4* C 327 H4* C 327 16.945 -2.956 36.379 554 H3* C 327 H3* C 327 19.924 -3.304 36.471 555 H2* C 327 H2* C 327 19.742 -5.310 35.201 556 2HO* C 327 2HO* C 327 16.930 -4.750 35.491 557 H1* C 327 H1* C 327 18.172 -4.148 33.227 558 1H4 C 327 1H4 C 327 24.291 -3.481 31.393 559 2H4 C 327 2H4 C 327 24.204 -1.828 31.957 560 H5 C 327 H5 C 327 22.365 -0.936 33.141 561 H6 C 327 H6 C 327 20.135 -1.416 34.084 562 1H5* U 328 1H5* U 328 18.286 -7.067 37.554 563 2H5* U 328 2H5* U 328 19.100 -7.708 38.981 564 H4* U 328 H4* U 328 19.113 -9.307 37.142 565 H3* U 328 H3* U 328 21.756 -8.227 38.087 566 H2* U 328 H2* U 328 22.881 -9.733 36.624 567 2HO* U 328 2HO* U 328 21.689 -11.453 35.798 568 H1* U 328 H1* U 328 21.318 -9.026 34.419 569 H3 U 328 H3 U 328 25.733 -7.445 34.304 570 H5 U 328 H5 U 328 23.277 -4.297 35.569 571 H6 U 328 H6 U 328 21.475 -5.940 35.831 572 1H5* G 329 1H5* G 329 22.635 -12.348 39.177 573 2H5* G 329 2H5* G 329 23.681 -12.193 40.588 574 H4* G 329 H4* G 329 24.784 -13.094 38.531 575 H3* G 329 H3* G 329 25.846 -10.682 39.972 576 H2* G 329 H2* G 329 27.680 -10.569 38.482 577 2HO* G 329 2HO* G 329 28.290 -12.478 37.603 578 H1* G 329 H1* G 329 25.965 -11.073 36.228 579 H8 G 329 H8 G 329 24.487 -8.363 38.194 580 H1 G 329 H1 G 329 29.491 -6.328 34.629 581 1H2 G 329 1H2 G 329 30.527 -7.957 33.903 582 2H2 G 329 2H2 G 329 30.104 -9.625 34.214 583 1H5* U 330 1H5* U 330 27.684 -9.642 42.205 584 2H5* U 330 2H5* U 330 28.049 -9.546 40.483 585 H4* U 330 H4* U 330 29.663 -8.650 42.484 586 H3* U 330 H3* U 330 30.276 -9.449 39.644 587 H2* U 330 H2* U 330 32.547 -9.107 40.020 588 2HO* U 330 2HO* U 330 32.151 -7.874 42.521 589 H1* U 330 H1* U 330 32.224 -9.889 42.845 590 H3 U 330 H3 U 330 35.561 -12.804 42.345 591 H5 U 330 H5 U 330 33.334 -13.415 38.852 592 H6 U 330 H6 U 330 31.830 -11.636 39.618 593 1H5* G 331 1H5* G 331 32.912 -6.658 38.788 594 2H5* G 331 2H5* G 331 32.268 -6.104 37.243 595 H4* G 331 H4* G 331 34.394 -7.358 37.051 596 H3* G 331 H3* G 331 31.929 -8.235 35.606 597 H2* G 331 H2* G 331 33.059 -10.092 34.652 598 2HO* G 331 2HO* G 331 35.443 -9.391 36.025 599 H1* G 331 H1* G 331 34.178 -10.892 37.104 600 H8 G 331 H8 G 331 30.625 -9.696 37.402 601 H1 G 331 H1 G 331 31.178 -15.957 35.856 602 1H2 G 331 1H2 G 331 33.148 -16.388 35.430 603 2H2 G 331 2H2 G 331 34.456 -15.229 35.483 604 1H5* A 332 1H5* A 332 34.098 -6.061 31.783 605 2H5* A 332 2H5* A 332 32.980 -6.646 30.550 606 H4* A 332 H4* A 332 35.343 -7.738 30.872 607 H3* A 332 H3* A 332 32.755 -9.067 30.168 608 H2* A 332 H2* A 332 33.811 -11.200 30.123 609 2HO* A 332 2HO* A 332 36.295 -10.230 30.955 610 H1* A 332 H1* A 332 34.997 -10.886 32.615 611 H8 A 332 H8 A 332 31.642 -9.232 32.581 612 1H6 A 332 1H6 A 332 29.252 -14.782 34.139 613 2H6 A 332 2H6 A 332 28.882 -13.084 33.948 614 H2 A 332 H2 A 332 33.540 -15.351 33.123 615 1H5* A 333 1H5* A 333 32.959 -10.974 28.333 616 2H5* A 333 2H5* A 333 32.665 -10.665 26.622 617 H4* A 333 H4* A 333 31.023 -12.195 27.116 618 H3* A 333 H3* A 333 29.882 -9.434 27.335 619 H2* A 333 H2* A 333 27.756 -10.313 27.941 620 2HO* A 333 2HO* A 333 28.168 -12.127 26.456 621 H1* A 333 H1* A 333 28.733 -11.921 29.955 622 H8 A 333 H8 A 333 30.864 -8.851 29.685 623 1H6 A 333 1H6 A 333 26.795 -6.095 33.531 624 2H6 A 333 2H6 A 333 28.347 -5.915 32.744 625 H2 A 333 H2 A 333 25.117 -10.027 32.318 626 1H5* G 334 1H5* G 334 26.670 -12.203 25.014 627 2H5* G 334 2H5* G 334 25.504 -10.923 24.673 628 H4* G 334 H4* G 334 25.163 -12.893 26.511 629 H3* G 334 H3* G 334 23.921 -10.178 26.220 630 H2* G 334 H2* G 334 22.717 -10.481 28.250 631 2HO* G 334 2HO* G 334 23.909 -13.097 28.066 632 H1* G 334 H1* G 334 24.937 -11.229 29.718 633 H8 G 334 H8 G 334 26.563 -8.851 27.581 634 H1 G 334 H1 G 334 22.481 -5.863 31.617 635 1H2 G 334 1H2 G 334 21.215 -7.250 32.469 636 2H2 G 334 2H2 G 334 21.254 -8.968 32.138 637 1H5* U 335 1H5* U 335 20.774 -12.794 27.572 638 2H5* U 335 2H5* U 335 19.341 -12.397 26.624 639 H4* U 335 H4* U 335 19.026 -12.246 29.087 640 H3* U 335 H3* U 335 18.458 -9.944 27.269 641 H2* U 335 H2* U 335 17.810 -8.568 29.090 642 2HO* U 335 2HO* U 335 17.450 -9.599 31.107 643 H1* U 335 H1* U 335 20.077 -9.211 30.615 644 H3 U 335 H3 U 335 20.032 -4.815 29.018 645 H5 U 335 H5 U 335 22.382 -7.085 26.397 646 H6 U 335 H6 U 335 21.537 -9.088 27.531 647 1H5* U 336 1H5* U 336 14.365 -10.707 28.929 648 2H5* U 336 2H5* U 336 13.213 -10.084 27.747 649 H4* U 336 H4* U 336 13.236 -8.799 29.847 650 H3* U 336 H3* U 336 13.889 -7.455 27.251 651 H2* U 336 H2* U 336 14.151 -5.366 28.340 652 2HO* U 336 2HO* U 336 12.330 -6.088 29.766 653 H1* U 336 H1* U 336 15.753 -6.449 30.391 654 H3 U 336 H3 U 336 18.399 -3.671 27.877 655 H5 U 336 H5 U 336 18.390 -7.328 25.838 656 H6 U 336 H6 U 336 16.632 -8.070 27.376 657 1H5* C 337 1H5* C 337 11.508 -4.492 28.946 658 2H5* C 337 2H5* C 337 9.981 -4.685 28.083 659 H4* C 337 H4* C 337 10.198 -2.436 27.913 660 H3* C 337 H3* C 337 11.585 -3.598 25.533 661 H2* C 337 H2* C 337 12.299 -1.452 24.814 662 2HO* C 337 2HO* C 337 10.664 -0.614 27.033 663 H1* C 337 H1* C 337 13.284 -0.709 27.315 664 1H4 C 337 1H4 C 337 18.444 -3.178 24.519 665 2H4 C 337 2H4 C 337 17.760 -4.784 24.631 666 H5 C 337 H5 C 337 15.596 -5.237 25.461 667 H6 C 337 H6 C 337 13.535 -4.250 26.397 668 1H5* G 338 1H5* G 338 9.991 0.094 23.978 669 2H5* G 338 2H5* G 338 9.343 -0.366 22.404 670 H4* G 338 H4* G 338 11.076 1.338 22.205 671 H3* G 338 H3* G 338 11.584 -1.355 20.979 672 H2* G 338 H2* G 338 13.654 -0.620 20.131 673 2HO* G 338 2HO* G 338 12.501 1.449 19.642 674 H1* G 338 H1* G 338 14.187 0.842 22.583 675 H8 G 338 H8 G 338 13.429 -2.719 23.221 676 H1 G 338 H1 G 338 19.571 -1.750 21.430 677 1H2 G 338 1H2 G 338 19.787 0.175 20.722 678 2H2 G 338 2H2 G 338 18.496 1.351 20.628 679 1H5* G 339 1H5* G 339 13.489 0.405 18.285 680 2H5* G 339 2H5* G 339 12.902 -0.163 16.722 681 H4* G 339 H4* G 339 15.291 -0.767 17.401 682 H3* G 339 H3* G 339 13.280 -2.653 16.245 683 H2* G 339 H2* G 339 14.440 -4.449 17.021 684 2HO* G 339 2HO* G 339 15.857 -4.423 15.357 685 H1* G 339 H1* G 339 16.490 -2.497 18.172 686 H8 G 339 H8 G 339 17.741 -3.620 20.039 687 H1 G 339 H1 G 339 13.254 -8.234 20.719 688 1H2 G 339 1H2 G 339 11.675 -7.850 19.450 689 2H2 G 339 2H2 G 339 11.579 -6.482 18.364 690 1H5* A 340 1H5* A 340 15.041 0.820 13.946 691 2H5* A 340 2H5* A 340 16.326 1.919 14.445 692 H4* A 340 H4* A 340 13.677 2.436 14.678 693 H3* A 340 H3* A 340 16.060 3.521 16.140 694 H2* A 340 H2* A 340 14.636 4.831 17.533 695 2HO* A 340 2HO* A 340 12.681 5.302 16.677 696 H1* A 340 H1* A 340 12.980 2.619 18.109 697 H8 A 340 H8 A 340 16.249 1.132 18.345 698 1H6 A 340 1H6 A 340 17.059 3.920 23.870 699 2H6 A 340 2H6 A 340 17.686 2.688 22.799 700 H2 A 340 H2 A 340 13.539 5.767 21.884 701 1H5* A 341 1H5* A 341 13.350 6.932 15.787 702 2H5* A 341 2H5* A 341 14.413 8.253 15.305 703 H4* A 341 H4* A 341 13.146 8.702 17.381 704 H3* A 341 H3* A 341 16.158 8.702 17.455 705 H2* A 341 H2* A 341 16.080 9.477 19.694 706 2HO* A 341 2HO* A 341 13.834 10.014 20.466 707 H1* A 341 H1* A 341 14.130 7.620 20.475 708 H8 A 341 H8 A 341 16.620 6.120 18.108 709 1H6 A 341 1H6 A 341 20.073 4.774 23.130 710 2H6 A 341 2H6 A 341 19.921 4.521 21.406 711 H2 A 341 H2 A 341 16.704 7.370 24.414 712 1H5* C 342 1H5* C 342 14.808 11.985 18.670 713 2H5* C 342 2H5* C 342 15.182 13.633 18.165 714 H4* C 342 H4* C 342 15.560 13.592 20.476 715 H3* C 342 H3* C 342 18.089 13.517 18.883 716 H2* C 342 H2* C 342 19.410 13.427 20.856 717 2HO* C 342 2HO* C 342 17.588 13.330 22.799 718 H1* C 342 H1* C 342 18.040 11.331 21.991 719 1H4 C 342 1H4 C 342 22.554 8.743 18.223 720 2H4 C 342 2H4 C 342 21.290 8.420 17.057 721 H5 C 342 H5 C 342 19.074 9.204 17.268 722 H6 C 342 H6 C 342 17.506 10.504 18.665 723 1H5* A 343 1H5* A 343 19.031 15.726 21.865 724 2H5* A 343 2H5* A 343 19.582 17.352 21.462 725 H4* A 343 H4* A 343 21.250 16.402 22.830 726 H3* A 343 H3* A 343 22.028 16.497 19.930 727 H2* A 343 H2* A 343 24.173 15.633 20.464 728 2HO* A 343 2HO* A 343 23.183 15.945 23.152 729 H1* A 343 H1* A 343 23.187 13.552 22.025 730 H8 A 343 H8 A 343 20.888 14.189 19.144 731 1H6 A 343 1H6 A 343 24.504 10.334 15.825 732 2H6 A 343 2H6 A 343 22.997 11.222 15.816 733 H2 A 343 H2 A 343 26.522 11.141 19.701 734 1H5* C 344 1H5* C 344 25.117 19.226 21.435 735 2H5* C 344 2H5* C 344 25.472 20.326 20.102 736 H4* C 344 H4* C 344 27.333 18.790 20.649 737 H3* C 344 H3* C 344 26.118 18.721 17.891 738 H2* C 344 H2* C 344 27.853 17.244 17.206 739 2HO* C 344 2HO* C 344 28.828 17.709 19.878 740 H1* C 344 H1* C 344 27.528 15.617 19.499 741 1H4 C 344 1H4 C 344 24.305 12.522 14.947 742 2H4 C 344 2H4 C 344 22.998 13.676 15.087 743 H5 C 344 H5 C 344 23.073 15.589 16.470 744 H6 C 344 H6 C 344 24.436 16.878 18.076 745 1H5* C 345 1H5* C 345 30.424 20.270 16.711 746 2H5* C 345 2H5* C 345 30.175 20.316 14.966 747 H4* C 345 H4* C 345 31.591 18.412 16.238 748 H3* C 345 H3* C 345 30.054 18.276 13.650 749 H2* C 345 H2* C 345 30.774 16.032 13.377 750 2HO* C 345 2HO* C 345 32.696 15.576 14.302 751 H1* C 345 H1* C 345 30.169 15.338 16.038 752 1H4 C 345 1H4 C 345 25.199 13.528 12.393 753 2H4 C 345 2H4 C 345 24.393 14.999 12.887 754 H5 C 345 H5 C 345 25.430 16.709 14.144 755 H6 C 345 H6 C 345 27.517 17.436 15.245 756 1H5* C 346 1H5* C 346 33.091 16.005 12.398 757 2H5* C 346 2H5* C 346 33.768 16.848 11.004 758 H4* C 346 H4* C 346 33.163 14.648 10.319 759 H3* C 346 H3* C 346 31.280 16.769 9.278 760 H2* C 346 H2* C 346 30.234 15.127 7.956 761 2HO* C 346 2HO* C 346 32.386 14.309 7.407 762 H1* C 346 H1* C 346 30.524 13.171 10.087 763 1H4 C 346 1H4 C 346 24.250 14.334 9.471 764 2H4 C 346 2H4 C 346 24.435 15.651 10.606 765 H5 C 346 H5 C 346 26.520 16.392 11.432 766 H6 C 346 H6 C 346 28.965 16.048 11.370 767 1H5* G 347 1H5* G 347 34.132 15.574 5.913 768 2H5* G 347 2H5* G 347 34.077 16.695 4.553 769 H4* G 347 H4* G 347 33.346 14.404 3.981 770 H3* G 347 H3* G 347 31.486 16.728 3.601 771 H2* G 347 H2* G 347 29.865 15.286 2.618 772 2HO* G 347 2HO* G 347 31.042 12.885 2.890 773 H1* G 347 H1* G 347 30.070 13.411 4.707 774 H8 G 347 H8 G 347 30.150 16.522 6.531 775 H1 G 347 H1 G 347 24.258 15.414 4.094 776 1H2 G 347 1H2 G 347 24.368 13.913 2.684 777 2H2 G 347 2H2 G 347 25.836 13.080 2.228 778 1H5* G 348 1H5* G 348 32.188 16.273 -0.836 779 2H5* G 348 2H5* G 348 31.521 17.805 -1.399 780 H4* G 348 H4* G 348 30.135 15.570 -1.514 781 H3* G 348 H3* G 348 29.093 18.322 -0.842 782 H2* G 348 H2* G 348 26.891 17.430 -0.855 783 2HO* G 348 2HO* G 348 27.437 16.079 -2.690 784 H1* G 348 H1* G 348 27.704 15.162 0.666 785 H8 G 348 H8 G 348 29.211 17.908 2.448 786 H1 G 348 H1 G 348 22.790 17.874 3.255 787 1H2 G 348 1H2 G 348 21.927 16.620 1.864 788 2H2 G 348 2H2 G 348 22.812 15.713 0.658 789 1H5* C 349 1H5* C 349 25.677 17.301 -2.486 790 2H5* C 349 2H5* C 349 25.665 18.264 -3.963 791 H4* C 349 H4* C 349 23.695 18.834 -2.830 792 H3* C 349 H3* C 349 25.816 20.939 -2.490 793 H2* C 349 H2* C 349 24.323 22.272 -1.253 794 2HO* C 349 2HO* C 349 22.504 22.033 -2.510 795 H1* C 349 H1* C 349 23.246 19.941 0.089 796 1H4 C 349 1H4 C 349 26.515 23.284 4.477 797 2H4 C 349 2H4 C 349 27.941 22.375 4.030 798 H5 C 349 H5 C 349 28.024 20.870 2.211 799 H6 C 349 H6 C 349 26.749 19.857 0.357 800 1H5* C 350 1H5* C 350 22.990 23.105 -5.251 801 2H5* C 350 2H5* C 350 23.923 24.375 -6.042 802 H4* C 350 H4* C 350 22.226 25.163 -4.378 803 H3* C 350 H3* C 350 25.119 25.948 -4.193 804 H2* C 350 H2* C 350 24.649 27.331 -2.333 805 2HO* C 350 2HO* C 350 21.901 26.708 -2.384 806 H1* C 350 H1* C 350 22.939 25.318 -1.188 807 1H4 C 350 1H4 C 350 28.223 25.283 2.405 808 2H4 C 350 2H4 C 350 29.020 24.310 1.190 809 H5 C 350 H5 C 350 28.060 23.766 -0.898 810 H6 C 350 H6 C 350 26.077 24.023 -2.347 811 1H5* G 351 1H5* G 351 23.285 29.858 -4.724 812 2H5* G 351 2H5* G 351 24.000 30.562 -6.174 813 H4* G 351 H4* G 351 24.309 32.195 -4.552 814 H3* G 351 H3* G 351 26.812 30.601 -4.958 815 H2* G 351 H2* G 351 27.957 31.899 -3.332 816 2HO* G 351 2HO* G 351 27.220 33.937 -3.265 817 H1* G 351 H1* G 351 25.957 31.661 -1.415 818 H8 G 351 H8 G 351 26.579 28.663 -3.676 819 H1 G 351 H1 G 351 29.862 28.603 1.901 820 1H2 G 351 1H2 G 351 29.571 30.388 2.891 821 2H2 G 351 2H2 G 351 28.585 31.707 2.298 822 1H5* C 352 1H5* C 352 27.958 34.557 -5.541 823 2H5* C 352 2H5* C 352 29.272 34.814 -6.689 824 H4* C 352 H4* C 352 29.937 35.405 -4.422 825 H3* C 352 H3* C 352 31.349 33.125 -5.767 826 H2* C 352 H2* C 352 32.779 32.862 -3.898 827 2HO* C 352 2HO* C 352 33.191 34.771 -2.955 828 H1* C 352 H1* C 352 30.597 33.105 -2.067 829 1H4 C 352 1H4 C 352 31.884 26.856 -2.195 830 2H4 C 352 2H4 C 352 31.070 26.725 -3.738 831 H5 C 352 H5 C 352 30.219 28.572 -4.938 832 H6 C 352 H6 C 352 29.938 31.026 -4.952 833 1H5* A 353 1H5* A 353 34.256 36.785 -6.489 834 2H5* A 353 2H5* A 353 35.012 36.481 -8.053 835 H4* A 353 H4* A 353 36.661 36.422 -6.281 836 H3* A 353 H3* A 353 36.115 33.877 -7.763 837 H2* A 353 H2* A 353 37.779 32.738 -6.504 838 2HO* A 353 2HO* A 353 38.887 34.964 -6.532 839 H1* A 353 H1* A 353 36.810 33.643 -4.047 840 H8 A 353 H8 A 353 34.220 32.833 -6.702 841 1H6 A 353 1H6 A 353 33.962 27.161 -4.111 842 2H6 A 353 2H6 A 353 33.237 28.205 -5.313 843 H2 A 353 H2 A 353 37.244 29.433 -2.159 844 1H5* A 354 1H5* A 354 40.498 34.547 -7.854 845 2H5* A 354 2H5* A 354 41.103 33.926 -9.390 846 H4* A 354 H4* A 354 42.171 32.911 -7.395 847 H3* A 354 H3* A 354 40.741 31.188 -9.399 848 H2* A 354 H2* A 354 41.437 29.242 -8.229 849 2HO* A 354 2HO* A 354 43.466 29.734 -7.556 850 H1* A 354 H1* A 354 40.657 30.215 -5.734 851 H8 A 354 H8 A 354 38.142 31.392 -8.182 852 1H6 A 354 1H6 A 354 35.378 25.822 -7.645 853 2H6 A 354 2H6 A 354 35.196 27.438 -8.288 854 H2 A 354 H2 A 354 39.327 25.615 -5.620 855 1H5* C 355 1H5* C 355 44.456 29.364 -9.495 856 2H5* C 355 2H5* C 355 44.998 29.155 -11.160 857 H4* C 355 H4* C 355 44.907 27.005 -10.159 858 H3* C 355 H3* C 355 42.670 27.510 -12.111 859 H2* C 355 H2* C 355 41.977 25.257 -11.869 860 2HO* C 355 2HO* C 355 43.982 24.622 -10.020 861 H1* C 355 H1* C 355 42.249 25.356 -9.037 862 1H4 C 355 1H4 C 355 35.975 25.934 -10.064 863 2H4 C 355 2H4 C 355 36.207 27.615 -10.489 864 H5 C 355 H5 C 355 38.323 28.648 -10.666 865 H6 C 355 H6 C 355 40.763 28.319 -10.474 866 1H5* C 356 1H5* C 356 45.612 24.679 -13.451 867 2H5* C 356 2H5* C 356 45.667 24.053 -15.099 868 H4* C 356 H4* C 356 44.954 22.327 -13.564 869 H3* C 356 H3* C 356 42.916 23.294 -15.550 870 H2* C 356 H2* C 356 41.392 21.635 -14.797 871 2HO* C 356 2HO* C 356 42.289 19.863 -13.856 872 H1* C 356 H1* C 356 41.891 22.245 -12.073 873 1H4 C 356 1H4 C 356 36.432 25.274 -13.393 874 2H4 C 356 2H4 C 356 37.334 26.535 -14.205 875 H5 C 356 H5 C 356 39.667 26.463 -14.562 876 H6 C 356 H6 C 356 41.731 25.151 -14.223 877 1H5* C 357 1H5* C 357 43.576 19.508 -15.577 878 2H5* C 357 2H5* C 357 44.440 18.574 -16.798 879 H4* C 357 H4* C 357 42.798 17.087 -16.323 880 H3* C 357 H3* C 357 41.747 18.828 -18.514 881 H2* C 357 H2* C 357 39.629 17.771 -18.446 882 2HO* C 357 2HO* C 357 39.480 15.792 -17.269 883 H1* C 357 H1* C 357 39.293 17.978 -15.726 884 1H4 C 357 1H4 C 357 36.995 23.473 -18.061 885 2H4 C 357 2H4 C 357 38.584 24.182 -17.870 886 H5 C 357 H5 C 357 40.498 22.963 -17.217 887 H6 C 357 H6 C 357 41.369 20.742 -16.579 888 1H5* U 358 1H5* U 358 39.663 15.585 -19.302 889 2H5* U 358 2H5* U 358 40.255 14.948 -20.837 890 H4* U 358 H4* U 358 37.969 15.088 -21.170 891 H3* U 358 H3* U 358 39.267 17.560 -22.306 892 H2* U 358 H2* U 358 37.160 18.227 -23.170 893 2HO* U 358 2HO* U 358 35.480 16.348 -22.445 894 H1* U 358 H1* U 358 35.819 17.641 -20.751 895 H3 U 358 H3 U 358 35.451 22.133 -20.794 896 H5 U 358 H5 U 358 39.549 21.510 -20.197 897 H6 U 358 H6 U 358 39.132 19.115 -20.525 898 1H5* G 359 1H5* G 359 37.129 15.359 -24.714 899 2H5* G 359 2H5* G 359 37.376 14.911 -26.402 900 H4* G 359 H4* G 359 35.272 15.904 -26.376 901 H3* G 359 H3* G 359 37.344 17.872 -27.320 902 H2* G 359 H2* G 359 35.639 19.466 -27.728 903 2HO* G 359 2HO* G 359 33.718 18.592 -28.269 904 H1* G 359 H1* G 359 34.353 18.901 -25.249 905 H8 G 359 H8 G 359 38.040 19.251 -24.853 906 H1 G 359 H1 G 359 34.919 24.920 -24.912 907 1H2 G 359 1H2 G 359 32.962 24.623 -25.492 908 2H2 G 359 2H2 G 359 32.271 23.068 -25.901 909 1H5* G 360 1H5* G 360 34.572 16.814 -30.118 910 2H5* G 360 2H5* G 360 34.832 16.451 -31.823 911 H4* G 360 H4* G 360 33.313 18.168 -31.936 912 H3* G 360 H3* G 360 36.071 19.327 -32.191 913 H2* G 360 H2* G 360 35.159 21.501 -32.438 914 2HO* G 360 2HO* G 360 33.414 20.702 -33.737 915 H1* G 360 H1* G 360 33.359 21.134 -30.274 916 H8 G 360 H8 G 360 36.807 19.879 -29.537 917 H1 G 360 H1 G 360 36.065 26.218 -28.467 918 1H2 G 360 1H2 G 360 34.248 26.836 -29.222 919 2H2 G 360 2H2 G 360 33.096 25.792 -30.025 920 1H5* G 361 1H5* G 361 34.066 19.737 -36.109 921 2H5* G 361 2H5* G 361 35.136 19.722 -37.511 922 H4* G 361 H4* G 361 34.108 21.860 -37.411 923 H3* G 361 H3* G 361 37.010 21.838 -36.656 924 H2* G 361 H2* G 361 36.988 24.194 -36.369 925 2HO* G 361 2HO* G 361 34.310 23.889 -37.387 926 H1* G 361 H1* G 361 34.620 24.143 -34.839 927 H8 G 361 H8 G 361 36.929 21.331 -33.957 928 H1 G 361 H1 G 361 38.303 26.878 -30.918 929 1H2 G 361 1H2 G 361 37.184 28.406 -31.734 930 2H2 G 361 2H2 G 361 36.044 28.213 -33.046 931 1H5* A 362 1H5* A 362 36.336 24.139 -40.385 932 2H5* A 362 2H5* A 362 37.687 24.147 -41.517 933 H4* A 362 H4* A 362 37.073 26.408 -40.936 934 H3* A 362 H3* A 362 39.753 25.449 -39.975 935 H2* A 362 H2* A 362 40.229 27.609 -39.111 936 2HO* A 362 2HO* A 362 38.207 29.122 -39.590 937 H1* A 362 H1* A 362 37.790 27.858 -37.794 938 H8 A 362 H8 A 362 38.694 24.301 -37.479 939 1H6 A 362 1H6 A 362 42.428 25.890 -32.739 940 2H6 A 362 2H6 A 362 41.695 24.540 -33.574 941 H2 A 362 H2 A 362 41.121 29.611 -34.787 942 1H5* G 363 1H5* G 363 40.319 29.475 -41.143 943 2H5* G 363 2H5* G 363 41.929 29.559 -41.860 944 H4* G 363 H4* G 363 41.396 30.832 -39.647 945 H3* G 363 H3* G 363 43.913 29.341 -40.323 946 H2* G 363 H2* G 363 44.858 29.955 -38.236 947 2HO* G 363 2HO* G 363 43.172 31.396 -36.963 948 H1* G 363 H1* G 363 42.631 29.219 -36.748 949 H8 G 363 H8 G 363 42.766 26.726 -39.439 950 H1 G 363 H1 G 363 47.239 25.662 -34.884 951 1H2 G 363 1H2 G 363 47.378 27.313 -33.656 952 2H2 G 363 2H2 G 363 46.424 28.769 -33.834 953 1H5* A 364 1H5* A 364 47.384 30.964 -42.151 954 2H5* A 364 2H5* A 364 47.622 29.870 -40.789 955 H4* A 364 H4* A 364 49.459 31.478 -41.045 956 H3* A 364 H3* A 364 48.234 30.845 -38.618 957 H2* A 364 H2* A 364 47.226 32.942 -38.294 958 2HO* A 364 2HO* A 364 48.702 32.706 -36.631 959 H1* A 364 H1* A 364 49.679 34.122 -39.712 960 H8 A 364 H8 A 364 46.056 34.734 -40.574 961 1H6 A 364 1H6 A 364 46.945 40.547 -38.480 962 2H6 A 364 2H6 A 364 45.810 39.490 -39.292 963 H2 A 364 H2 A 364 50.583 38.167 -37.561 964 1H5* G 365 1H5* G 365 52.579 28.034 -37.845 965 2H5* G 365 2H5* G 365 50.923 27.678 -37.352 966 H4* G 365 H4* G 365 52.624 27.305 -35.579 967 H3* G 365 H3* G 365 50.140 28.110 -35.117 968 H2* G 365 H2* G 365 50.501 30.459 -35.360 969 2HO* G 365 2HO* G 365 49.700 30.771 -33.353 970 H1* G 365 H1* G 365 52.937 30.149 -33.538 971 H8 G 365 H8 G 365 53.255 31.501 -36.992 972 H1 G 365 H1 G 365 52.867 36.111 -32.466 973 1H2 G 365 1H2 G 365 52.333 35.264 -30.663 974 2H2 G 365 2H2 G 365 52.035 33.558 -30.415 975 1H5* G 366 1H5* G 366 49.084 26.529 -30.009 976 2H5* G 366 2H5* G 366 48.734 28.090 -30.751 977 H4* G 366 H4* G 366 49.496 27.817 -28.206 978 H3* G 366 H3* G 366 49.110 30.002 -29.813 979 H2* G 366 H2* G 366 51.348 30.211 -30.551 980 2HO* G 366 2HO* G 366 51.466 31.463 -27.982 981 H1* G 366 H1* G 366 52.179 29.458 -27.698 982 H8 G 366 H8 G 366 53.606 27.206 -30.075 983 H1 G 366 H1 G 366 57.281 32.504 -29.515 984 1H2 G 366 1H2 G 366 56.213 33.985 -28.555 985 2H2 G 366 2H2 G 366 54.567 33.815 -27.987 986 1H5* U 367 1H5* U 367 47.884 32.910 -28.372 987 2H5* U 367 2H5* U 367 46.620 32.500 -27.212 988 H4* U 367 H4* U 367 46.067 33.946 -29.306 989 H3* U 367 H3* U 367 44.385 31.738 -28.150 990 H2* U 367 H2* U 367 42.703 32.175 -29.769 991 2HO* U 367 2HO* U 367 43.221 34.104 -31.193 992 H1* U 367 H1* U 367 44.495 32.218 -31.910 993 H3 U 367 H3 U 367 42.483 28.262 -32.674 994 H5 U 367 H5 U 367 44.713 27.544 -29.203 995 H6 U 367 H6 U 367 45.280 29.929 -29.194 996 1H5* C 368 1H5* C 368 42.166 34.705 -28.583 997 2H5* C 368 2H5* C 368 41.010 35.346 -27.416 998 H4* C 368 H4* C 368 39.777 34.686 -29.324 999 H3* C 368 H3* C 368 39.480 32.713 -27.055 1000 H2* C 368 H2* C 368 37.801 31.618 -28.302 1001 2HO* C 368 2HO* C 368 36.658 32.874 -29.702 1002 H1* C 368 H1* C 368 39.292 31.914 -30.742 1003 1H4 C 368 1H4 C 368 39.800 25.731 -29.218 1004 2H4 C 368 2H4 C 368 41.047 26.137 -28.059 1005 H5 C 368 H5 C 368 41.681 28.349 -27.529 1006 H6 C 368 H6 C 368 41.270 30.741 -27.983 1007 1H5* C 369 1H5* C 369 36.155 34.719 -27.796 1008 2H5* C 369 2H5* C 369 34.960 35.423 -26.707 1009 H4* C 369 H4* C 369 33.651 33.859 -27.691 1010 H3* C 369 H3* C 369 34.967 32.396 -25.405 1011 H2* C 369 H2* C 369 33.683 30.478 -25.947 1012 2HO* C 369 2HO* C 369 31.841 31.877 -26.401 1013 H1* C 369 H1* C 369 34.199 30.754 -28.724 1014 1H4 C 369 1H4 C 369 38.448 26.311 -27.110 1015 2H4 C 369 2H4 C 369 39.187 27.389 -25.948 1016 H5 C 369 H5 C 369 38.399 29.568 -25.490 1017 H6 C 369 H6 C 369 36.692 31.265 -26.039 1018 1H5* C 370 1H5* C 370 30.855 32.889 -24.990 1019 2H5* C 370 2H5* C 370 29.931 32.792 -23.491 1020 H4* C 370 H4* C 370 29.347 30.899 -24.776 1021 H3* C 370 H3* C 370 31.219 30.209 -22.516 1022 H2* C 370 H2* C 370 30.910 27.909 -23.019 1023 2HO* C 370 2HO* C 370 28.634 28.358 -23.470 1024 H1* C 370 H1* C 370 31.239 28.349 -25.803 1025 1H4 C 370 1H4 C 370 36.949 26.182 -23.994 1026 2H4 C 370 2H4 C 370 37.267 27.683 -23.152 1027 H5 C 370 H5 C 370 35.696 29.435 -22.949 1028 H6 C 370 H6 C 370 33.412 30.186 -23.509 1029 1H5* A 371 1H5* A 371 26.954 28.735 -21.339 1030 2H5* A 371 2H5* A 371 26.925 28.476 -19.595 1031 H4* A 371 H4* A 371 26.344 26.463 -20.905 1032 H3* A 371 H3* A 371 28.688 26.423 -19.029 1033 H2* A 371 H2* A 371 29.022 24.109 -19.477 1034 2HO* A 371 2HO* A 371 27.283 23.001 -20.260 1035 H1* A 371 H1* A 371 28.966 24.435 -22.238 1036 H8 A 371 H8 A 371 30.622 27.467 -20.977 1037 1H6 A 371 1H6 A 371 35.892 24.155 -20.531 1038 2H6 A 371 2H6 A 371 35.225 25.771 -20.476 1039 H2 A 371 H2 A 371 32.538 21.337 -21.274 1040 1H5* G 372 1H5* G 372 26.368 23.027 -18.291 1041 2H5* G 372 2H5* G 372 25.831 23.002 -16.611 1042 H4* G 372 H4* G 372 26.619 20.846 -16.991 1043 H3* G 372 H3* G 372 28.646 22.500 -15.530 1044 H2* G 372 H2* G 372 30.144 20.661 -15.439 1045 2HO* G 372 2HO* G 372 28.854 18.755 -16.777 1046 H1* G 372 H1* G 372 29.836 20.055 -18.165 1047 H8 G 372 H8 G 372 29.936 23.745 -17.744 1048 H1 G 372 H1 G 372 35.806 21.021 -17.693 1049 1H2 G 372 1H2 G 372 35.613 18.972 -17.558 1050 2H2 G 372 2H2 G 372 34.089 18.120 -17.471 1051 1H5* G 373 1H5* G 373 27.938 19.143 -13.798 1052 2H5* G 373 2H5* G 373 27.559 18.798 -12.111 1053 H4* G 373 H4* G 373 29.435 17.484 -12.617 1054 H3* G 373 H3* G 373 30.165 19.926 -11.027 1055 H2* G 373 H2* G 373 32.426 19.201 -10.935 1056 2HO* G 373 2HO* G 373 32.082 17.011 -10.675 1057 H1* G 373 H1* G 373 32.588 18.672 -13.664 1058 H8 G 373 H8 G 373 30.461 21.662 -13.400 1059 H1 G 373 H1 G 373 36.733 23.011 -12.550 1060 1H2 G 373 1H2 G 373 37.787 21.256 -12.302 1061 2H2 G 373 2H2 G 373 37.078 19.657 -12.321 1062 1H5* G 374 1H5* G 374 31.030 16.303 -8.930 1063 2H5* G 374 2H5* G 374 31.227 16.325 -7.178 1064 H4* G 374 H4* G 374 33.305 15.715 -8.253 1065 H3* G 374 H3* G 374 33.237 18.340 -6.798 1066 H2* G 374 H2* G 374 35.555 18.659 -7.238 1067 2HO* G 374 2HO* G 374 35.884 16.332 -6.973 1068 H1* G 374 H1* G 374 35.277 18.075 -9.966 1069 H8 G 374 H8 G 374 32.293 20.024 -9.098 1070 H1 G 374 H1 G 374 37.572 23.732 -9.613 1071 1H2 G 374 1H2 G 374 39.250 22.536 -9.675 1072 2H2 G 374 2H2 G 374 39.231 20.789 -9.600 1073 1H5* U 375 1H5* U 375 36.332 16.560 -5.042 1074 2H5* U 375 2H5* U 375 36.273 16.424 -3.285 1075 H4* U 375 H4* U 375 38.245 17.589 -3.716 1076 H3* U 375 H3* U 375 36.049 19.463 -2.885 1077 H2* U 375 H2* U 375 37.542 21.294 -2.991 1078 2HO* U 375 2HO* U 375 39.511 19.248 -3.484 1079 H1* U 375 H1* U 375 38.659 20.369 -5.460 1080 H3 U 375 H3 U 375 36.933 24.370 -6.676 1081 H5 U 375 H5 U 375 33.550 22.002 -5.982 1082 H6 U 375 H6 U 375 35.062 20.263 -5.142 1083 1H5* U 376 1H5* U 376 39.259 20.039 0.176 1084 2H5* U 376 2H5* U 376 38.526 20.790 1.592 1085 H4* U 376 H4* U 376 40.239 22.144 0.271 1086 H3* U 376 H3* U 376 37.548 23.199 1.109 1087 H2* U 376 H2* U 376 38.133 25.334 0.262 1088 2HO* U 376 2HO* U 376 40.253 25.488 0.855 1089 H1* U 376 H1* U 376 39.208 24.230 -2.128 1090 H3 U 376 H3 U 376 35.563 26.888 -3.119 1091 H5 U 376 H5 U 376 34.030 23.077 -2.304 1092 H6 U 376 H6 U 376 36.264 22.457 -1.505 1093 2H ALA 1 HN ALA 1 69.358 -22.873 -1.829 1094 HA ALA 1 HA ALA 1 69.976 -20.844 -3.858 1095 1HB ALA 1 1HB ALA 1 67.871 -22.914 -4.303 1096 2HB ALA 1 2HB ALA 1 69.089 -22.262 -5.425 1097 3HB ALA 1 3HB ALA 1 69.552 -23.490 -4.223 1098 H THR 2 HN THR 2 68.171 -19.526 -4.667 1099 HA THR 2 HA THR 2 66.045 -19.247 -2.646 1100 HB THR 2 HB THR 2 67.580 -17.125 -4.236 1101 HG1 THR 2 HG1 THR 2 67.896 -16.612 -1.780 1102 1HG2 THR 2 1HG2 THR 2 66.256 -15.469 -3.099 1103 2HG2 THR 2 2HG2 THR 2 65.067 -16.633 -3.730 1104 3HG2 THR 2 3HG2 THR 2 65.536 -16.682 -2.013 1105 H VAL 3 HN VAL 3 63.961 -18.533 -3.402 1106 HA VAL 3 HA VAL 3 63.418 -19.656 -6.010 1107 HB VAL 3 HB VAL 3 62.077 -20.201 -4.008 1108 1HG1 VAL 3 1HG1 VAL 3 61.539 -18.557 -2.593 1109 2HG1 VAL 3 2HG1 VAL 3 61.957 -17.305 -3.786 1110 3HG1 VAL 3 3HG1 VAL 3 60.329 -18.023 -3.783 1111 1HG2 VAL 3 1HG2 VAL 3 59.862 -19.929 -5.077 1112 2HG2 VAL 3 2HG2 VAL 3 60.576 -18.779 -6.233 1113 3HG2 VAL 3 3HG2 VAL 3 61.105 -20.479 -6.226 1114 H VAL 4 HN VAL 4 61.972 -18.447 -7.555 1115 HA VAL 4 HA VAL 4 62.639 -15.585 -7.473 1116 HB VAL 4 HB VAL 4 63.859 -16.950 -9.169 1117 1HG1 VAL 4 1HG1 VAL 4 62.040 -17.267 -11.226 1118 2HG1 VAL 4 2HG1 VAL 4 62.677 -18.565 -10.188 1119 3HG1 VAL 4 3HG1 VAL 4 61.120 -17.795 -9.798 1120 1HG2 VAL 4 1HG2 VAL 4 63.910 -14.788 -9.863 1121 2HG2 VAL 4 2HG2 VAL 4 62.860 -15.417 -11.155 1122 3HG2 VAL 4 3HG2 VAL 4 62.144 -14.591 -9.749 1123 H SER 5 HN SER 5 61.012 -14.110 -8.243 1124 HA SER 5 HA SER 5 58.407 -15.339 -8.616 1125 1HB SER 5 2HB SER 5 59.047 -14.269 -6.202 1126 2HB SER 5 3HB SER 5 58.510 -12.809 -7.009 1127 HG SER 5 HG SER 5 56.463 -13.696 -7.340 1128 H GLY 6 HN GLY 6 56.772 -13.549 -9.420 1129 1HA GLY 6 1HA GLY 6 58.066 -12.174 -11.616 1130 2HA GLY 6 2HA GLY 6 56.348 -12.351 -11.321 1131 H GLN 7 HN GLN 7 55.996 -10.077 -11.753 1132 HA GLN 7 HA GLN 7 56.060 -8.533 -9.436 1133 1HB GLN 7 2HB GLN 7 57.718 -6.909 -9.851 1134 2HB GLN 7 3HB GLN 7 58.517 -8.410 -10.274 1135 1HG GLN 7 2HG GLN 7 57.743 -7.988 -12.702 1136 2HG GLN 7 3HG GLN 7 57.278 -6.380 -12.182 1137 1HE2 GLN 7 1HE2 GLN 7 58.728 -4.828 -12.199 1138 2HE2 GLN 7 2HE2 GLN 7 60.445 -5.010 -12.343 1139 H LYS 8 HN LYS 8 54.721 -6.649 -9.661 1140 HA LYS 8 HA LYS 8 53.690 -6.179 -12.357 1141 1HB LYS 8 2HB LYS 8 52.164 -7.121 -9.967 1142 2HB LYS 8 3HB LYS 8 51.402 -5.931 -11.003 1143 1HG LYS 8 2HG LYS 8 50.744 -7.805 -12.172 1144 2HG LYS 8 3HG LYS 8 52.310 -7.603 -12.933 1145 1HD LYS 8 2HD LYS 8 53.312 -9.168 -11.228 1146 2HD LYS 8 3HD LYS 8 51.718 -9.407 -10.538 1147 1HE LYS 8 2HE LYS 8 51.987 -9.843 -13.502 1148 2HE LYS 8 3HE LYS 8 52.741 -11.032 -12.459 1149 1HZ LYS 8 1HZ LYS 8 50.629 -11.291 -11.334 1150 2HZ LYS 8 2HZ LYS 8 49.928 -10.192 -12.319 1151 3HZ LYS 8 3HZ LYS 8 50.475 -11.605 -12.930 1152 H GLN 9 HN GLN 9 52.445 -4.058 -12.451 1153 HA GLN 9 HA GLN 9 53.000 -2.252 -10.316 1154 1HB GLN 9 2HB GLN 9 54.608 -2.243 -12.847 1155 2HB GLN 9 3HB GLN 9 54.095 -0.682 -12.236 1156 1HG GLN 9 2HG GLN 9 54.996 -1.583 -9.913 1157 2HG GLN 9 3HG GLN 9 55.867 -2.746 -10.893 1158 1HE2 GLN 9 1HE2 GLN 9 56.092 0.138 -9.406 1159 2HE2 GLN 9 2HE2 GLN 9 57.319 0.925 -10.342 1160 H ASP 10 HN ASP 10 51.988 -0.061 -10.750 1161 HA ASP 10 HA ASP 10 49.895 -0.352 -12.760 1162 1HB ASP 10 2HB ASP 10 49.319 -0.441 -10.175 1163 2HB ASP 10 3HB ASP 10 49.571 1.292 -10.231 1164 H ARG 11 HN ARG 11 48.814 2.201 -12.752 1165 HA ARG 11 HA ARG 11 50.919 4.120 -12.638 1166 1HB ARG 11 2HB ARG 11 50.406 4.833 -15.092 1167 2HB ARG 11 3HB ARG 11 51.427 3.427 -14.862 1168 1HG ARG 11 2HG ARG 11 49.456 1.928 -15.167 1169 2HG ARG 11 3HG ARG 11 48.415 3.325 -15.363 1170 1HD ARG 11 2HD ARG 11 48.888 3.315 -17.584 1171 2HD ARG 11 3HD ARG 11 50.547 3.729 -17.204 1172 HE ARG 11 HE ARG 11 51.182 1.475 -17.513 1173 1HH1 ARG 11 2HH2 ARG 11 47.674 1.758 -17.493 1174 2HH1 ARG 11 1HH2 ARG 11 47.413 0.143 -18.060 1175 1HH2 ARG 11 2HH1 ARG 11 50.837 -0.656 -18.261 1176 2HH2 ARG 11 1HH1 ARG 11 49.224 -1.240 -18.500 1177 H GLN 12 HN GLN 12 49.884 5.784 -11.577 1178 HA GLN 12 HA GLN 12 47.858 7.217 -12.635 1179 1HB GLN 12 2HB GLN 12 46.795 4.775 -11.656 1180 2HB GLN 12 3HB GLN 12 46.352 5.978 -10.461 1181 1HG GLN 12 2HG GLN 12 45.869 7.284 -12.903 1182 2HG GLN 12 3HG GLN 12 45.372 5.635 -13.224 1183 1HE2 GLN 12 1HE2 GLN 12 43.416 5.056 -12.667 1184 2HE2 GLN 12 2HE2 GLN 12 42.378 5.838 -11.521 1185 H GLY 13 HN GLY 13 46.394 7.908 -10.181 1186 1HA GLY 13 1HA GLY 13 48.465 8.500 -8.215 1187 2HA GLY 13 2HA GLY 13 47.773 9.869 -9.063 1188 H GLY 14 HN GLY 14 47.598 8.695 -6.159 1189 1HA GLY 14 1HA GLY 14 44.950 9.550 -5.647 1190 2HA GLY 14 2HA GLY 14 45.017 7.798 -5.640 1191 H GLU 15 HN GLU 15 44.523 7.840 -3.326 1192 HA GLU 15 HA GLU 15 45.044 7.722 -1.222 1193 1HB GLU 15 2HB GLU 15 47.867 7.611 -2.346 1194 2HB GLU 15 3HB GLU 15 47.556 7.476 -0.628 1195 1HG GLU 15 2HG GLU 15 47.214 5.256 -0.969 1196 2HG GLU 15 3HG GLU 15 45.705 5.690 -1.748 1197 H ARG 16 HN ARG 16 45.765 8.997 0.686 1198 HA ARG 16 HA ARG 16 47.166 11.376 0.318 1199 1HB ARG 16 2HB ARG 16 45.101 12.863 0.993 1200 2HB ARG 16 3HB ARG 16 45.300 12.421 -0.691 1201 1HG ARG 16 2HG ARG 16 43.642 10.667 -0.533 1202 2HG ARG 16 3HG ARG 16 43.627 10.737 1.219 1203 1HD ARG 16 2HD ARG 16 41.818 12.112 0.974 1204 2HD ARG 16 3HD ARG 16 42.984 13.356 0.567 1205 HE ARG 16 HE ARG 16 42.630 12.173 -1.862 1206 1HH1 ARG 16 2HH2 ARG 16 40.302 13.237 0.551 1207 2HH1 ARG 16 1HH2 ARG 16 39.062 13.578 -0.610 1208 1HH2 ARG 16 2HH1 ARG 16 40.995 12.621 -3.394 1209 2HH2 ARG 16 1HH1 ARG 16 39.459 13.224 -2.870 1210 H ARG 17 HN ARG 17 47.646 12.361 2.386 1211 HA ARG 17 HA ARG 17 46.186 11.432 4.656 1212 1HB ARG 17 2HB ARG 17 48.331 10.634 5.810 1213 2HB ARG 17 3HB ARG 17 47.740 9.586 4.537 1214 1HG ARG 17 2HG ARG 17 49.540 11.656 3.473 1215 2HG ARG 17 3HG ARG 17 50.321 10.712 4.726 1216 1HD ARG 17 2HD ARG 17 50.596 8.984 3.280 1217 2HD ARG 17 3HD ARG 17 48.861 8.871 3.060 1218 HE ARG 17 HE ARG 17 49.455 10.989 1.444 1219 1HH1 ARG 17 2HH2 ARG 17 50.948 7.819 1.762 1220 2HH1 ARG 17 1HH2 ARG 17 51.469 7.758 0.111 1221 1HH2 ARG 17 2HH1 ARG 17 50.141 10.908 -0.734 1222 2HH2 ARG 17 1HH1 ARG 17 51.008 9.527 -1.318 1223 H ARG 18 HN ARG 18 46.084 13.128 6.118 1224 HA ARG 18 HA ARG 18 47.715 15.401 5.536 1225 1HB ARG 18 2HB ARG 18 45.458 14.911 7.538 1226 2HB ARG 18 3HB ARG 18 46.293 16.446 7.412 1227 1HG ARG 18 2HG ARG 18 45.557 16.764 5.119 1228 2HG ARG 18 3HG ARG 18 44.976 15.114 5.007 1229 1HD ARG 18 2HD ARG 18 43.584 16.090 7.227 1230 2HD ARG 18 3HD ARG 18 43.660 17.496 6.183 1231 HE ARG 18 HE ARG 18 42.372 16.349 4.534 1232 1HH1 ARG 18 2HH2 ARG 18 43.108 14.270 7.277 1233 2HH1 ARG 18 1HH2 ARG 18 41.939 13.068 6.844 1234 1HH2 ARG 18 2HH1 ARG 18 40.830 14.763 3.962 1235 2HH2 ARG 18 1HH1 ARG 18 40.634 13.350 4.945 1236 H SER 19 HN SER 19 49.716 14.036 6.223 1237 HA SER 19 HA SER 19 50.399 12.941 8.416 1238 1HB SER 19 2HB SER 19 51.758 14.772 6.625 1239 2HB SER 19 3HB SER 19 52.359 15.022 8.252 1240 HG SER 19 HG SER 19 52.964 12.836 8.394 1241 H GLN 20 HN GLN 20 48.472 13.807 9.810 1242 HA GLN 20 HA GLN 20 47.680 14.981 11.469 1243 1HB GLN 20 2HB GLN 20 49.149 15.277 13.374 1244 2HB GLN 20 3HB GLN 20 49.636 13.813 12.542 1245 1HG GLN 20 2HG GLN 20 50.975 16.352 11.663 1246 2HG GLN 20 3HG GLN 20 51.394 15.765 13.259 1247 1HE2 GLN 20 1HE2 GLN 20 53.250 15.911 11.263 1248 2HE2 GLN 20 2HE2 GLN 20 53.749 14.331 10.760 1249 H LEU 21 HN LEU 21 47.818 16.553 9.187 1250 HA LEU 21 HA LEU 21 49.242 18.868 9.245 1251 1HB LEU 21 2HB LEU 21 47.397 17.839 7.635 1252 2HB LEU 21 3HB LEU 21 46.365 18.982 8.473 1253 HG LEU 21 HG LEU 21 48.828 19.590 6.825 1254 1HD1 LEU 21 1HD1 LEU 21 46.823 21.153 5.864 1255 2HD1 LEU 21 2HD1 LEU 21 47.253 19.548 5.224 1256 3HD1 LEU 21 3HD1 LEU 21 45.914 19.713 6.384 1257 1HD2 LEU 21 1HD2 LEU 21 48.455 20.951 9.042 1258 2HD2 LEU 21 2HD2 LEU 21 48.884 21.776 7.523 1259 3HD2 LEU 21 3HD2 LEU 21 47.194 21.761 8.081 1260 H ASP 22 HN ASP 22 49.597 20.229 10.913 1261 HA ASP 22 HA ASP 22 47.723 20.410 13.013 1262 1HB ASP 22 2HB ASP 22 49.942 22.420 12.548 1263 2HB ASP 22 3HB ASP 22 49.329 21.811 14.072 1264 H ARG 23 HN ARG 23 46.551 22.415 13.647 1265 HA ARG 23 HA ARG 23 45.448 23.709 11.432 1266 1HB ARG 23 2HB ARG 23 45.262 24.164 14.443 1267 2HB ARG 23 3HB ARG 23 44.401 25.191 13.315 1268 1HG ARG 23 2HG ARG 23 44.097 22.170 13.621 1269 2HG ARG 23 3HG ARG 23 42.913 23.387 14.053 1270 1HD ARG 23 2HD ARG 23 43.228 24.071 11.450 1271 2HD ARG 23 3HD ARG 23 43.703 22.390 11.322 1272 HE ARG 23 HE ARG 23 41.232 22.755 12.847 1273 1HH1 ARG 23 2HH2 ARG 23 42.588 22.394 9.620 1274 2HH1 ARG 23 1HH2 ARG 23 41.114 21.802 8.928 1275 1HH2 ARG 23 2HH1 ARG 23 39.288 21.972 11.936 1276 2HH2 ARG 23 1HH1 ARG 23 39.225 21.560 10.255 1277 H ASP 24 HN ASP 24 48.445 24.104 12.872 1278 HA ASP 24 HA ASP 24 48.487 26.916 12.106 1279 1HB ASP 24 2HB ASP 24 49.018 25.814 14.665 1280 2HB ASP 24 3HB ASP 24 50.601 26.150 13.993 1281 H GLN 25 HN GLN 25 49.080 24.251 10.697 1282 HA GLN 25 HA GLN 25 51.935 24.663 10.265 1283 1HB GLN 25 2HB GLN 25 50.298 22.256 10.589 1284 2HB GLN 25 3HB GLN 25 51.195 22.204 9.084 1285 1HG GLN 25 2HG GLN 25 52.608 21.232 10.797 1286 2HG GLN 25 3HG GLN 25 53.299 22.786 10.372 1287 1HE2 GLN 25 1HE2 GLN 25 53.513 21.184 12.812 1288 2HE2 GLN 25 2HE2 GLN 25 53.001 22.184 14.131 1289 H CYS 26 HN CYS 26 52.522 23.787 7.859 1290 HA CYS 26 HA CYS 26 50.652 25.200 6.108 1291 1HB CYS 26 2HB CYS 26 52.824 26.285 6.206 1292 2HB CYS 26 3HB CYS 26 53.645 24.781 5.841 1293 H ALA 27 HN ALA 27 49.801 24.077 4.328 1294 HA ALA 27 HA ALA 27 50.388 21.224 4.284 1295 1HB ALA 27 1HB ALA 27 48.330 21.323 2.695 1296 2HB ALA 27 2HB ALA 27 48.072 21.631 4.430 1297 3HB ALA 27 3HB ALA 27 48.145 22.991 3.284 1298 H TYR 28 HN TYR 28 52.380 23.164 3.312 1299 HA TYR 28 HA TYR 28 52.453 22.245 0.527 1300 1HB TYR 28 2HB TYR 28 51.760 24.761 1.070 1301 2HB TYR 28 3HB TYR 28 53.425 24.963 1.572 1302 HD1 TYR 28 HD1 TYR 28 51.151 24.758 -1.241 1303 HD2 TYR 28 HD2 TYR 28 55.278 24.650 -0.115 1304 HE1 TYR 28 HE1 TYR 28 51.828 25.227 -3.647 1305 HE2 TYR 28 HE2 TYR 28 55.941 25.118 -2.525 1306 HH TYR 28 HH TYR 28 55.146 25.007 -4.662 1307 H CYS 29 HN CYS 29 54.389 23.983 3.075 1308 HA CYS 29 HA CYS 29 56.694 22.446 2.165 1309 1HB CYS 29 2HB CYS 29 58.029 24.099 3.459 1310 2HB CYS 29 3HB CYS 29 57.088 24.821 2.170 1311 H LYS 30 HN LYS 30 54.249 22.702 4.618 1312 HA LYS 30 HA LYS 30 53.833 21.380 6.357 1313 1HB LYS 30 2HB LYS 30 56.495 20.099 5.683 1314 2HB LYS 30 3HB LYS 30 55.477 19.570 7.007 1315 1HG LYS 30 2HG LYS 30 54.279 19.860 4.238 1316 2HG LYS 30 3HG LYS 30 55.243 18.445 4.612 1317 1HD LYS 30 2HD LYS 30 53.739 17.692 6.285 1318 2HD LYS 30 3HD LYS 30 53.039 19.282 6.515 1319 1HE LYS 30 2HE LYS 30 51.599 19.071 4.711 1320 2HE LYS 30 3HE LYS 30 52.742 18.137 3.766 1321 1HZ LYS 30 1HZ LYS 30 51.693 16.889 6.152 1322 2HZ LYS 30 2HZ LYS 30 50.666 17.056 4.895 1323 3HZ LYS 30 3HZ LYS 30 52.059 16.225 4.706 1324 H GLU 31 HN GLU 31 55.239 24.039 6.291 1325 HA GLU 31 HA GLU 31 56.959 23.903 8.575 1326 1HB GLU 31 2HB GLU 31 56.152 25.977 6.573 1327 2HB GLU 31 3HB GLU 31 56.623 26.573 8.152 1328 1HG GLU 31 2HG GLU 31 58.825 25.827 7.944 1329 2HG GLU 31 3HG GLU 31 58.391 24.482 6.908 1330 H LYS 32 HN LYS 32 56.474 25.924 10.235 1331 HA LYS 32 HA LYS 32 53.631 25.738 10.937 1332 1HB LYS 32 2HB LYS 32 54.262 25.527 13.300 1333 2HB LYS 32 3HB LYS 32 54.823 24.168 12.348 1334 1HG LYS 32 2HG LYS 32 57.016 24.630 12.776 1335 2HG LYS 32 3HG LYS 32 56.816 26.333 12.408 1336 1HD LYS 32 2HD LYS 32 55.765 26.662 14.685 1337 2HD LYS 32 3HD LYS 32 56.081 24.977 15.045 1338 1HE LYS 32 2HE LYS 32 58.512 25.330 14.793 1339 2HE LYS 32 3HE LYS 32 58.253 26.984 14.278 1340 1HZ LYS 32 1HZ LYS 32 57.893 25.833 16.926 1341 2HZ LYS 32 2HZ LYS 32 58.667 27.205 16.494 1342 3HZ LYS 32 3HZ LYS 32 57.035 27.160 16.515 1343 H GLY 33 HN GLY 33 52.672 27.681 11.289 1344 1HA GLY 33 1HA GLY 33 53.088 29.841 12.518 1345 2HA GLY 33 2HA GLY 33 54.469 30.023 11.455 1346 H HIS 34 HN HIS 34 53.446 29.044 8.996 1347 HA HIS 34 HA HIS 34 51.329 31.008 8.502 1348 1HB HIS 34 2HB HIS 34 52.254 31.400 6.337 1349 2HB HIS 34 3HB HIS 34 53.537 31.571 7.519 1350 HD1 HIS 34 HD1 HIS 34 55.480 29.843 7.464 1351 HD2 HIS 34 HD2 HIS 34 52.506 29.172 4.584 1352 HE1 HIS 34 HE1 HIS 34 56.436 28.126 5.837 1353 H TRP 35 HN TRP 35 49.942 30.426 6.515 1354 HA TRP 35 HA TRP 35 49.304 27.577 6.735 1355 1HB TRP 35 2HB TRP 35 47.739 30.056 6.271 1356 2HB TRP 35 3HB TRP 35 47.212 28.620 5.413 1357 HD1 TRP 35 HD1 TRP 35 48.448 28.952 9.117 1358 HE1 TRP 35 HE1 TRP 35 46.681 27.901 10.771 1359 HE3 TRP 35 HE3 TRP 35 45.040 27.743 5.542 1360 HZ2 TRP 35 HZ2 TRP 35 44.114 26.708 10.407 1361 HZ3 TRP 35 HZ3 TRP 35 42.930 26.637 6.276 1362 HH2 TRP 35 HH2 TRP 35 42.441 26.120 8.614 1363 H ALA 36 HN ALA 36 48.394 26.654 4.549 1364 HA ALA 36 HA ALA 36 50.457 26.686 2.690 1365 1HB ALA 36 1HB ALA 36 48.513 25.641 1.238 1366 2HB ALA 36 2HB ALA 36 49.133 24.773 2.663 1367 3HB ALA 36 3HB ALA 36 47.614 25.694 2.773 1368 H LYS 37 HN LYS 37 47.354 28.507 2.868 1369 HA LYS 37 HA LYS 37 47.694 29.680 0.303 1370 1HB LYS 37 2HB LYS 37 45.857 30.196 2.645 1371 2HB LYS 37 3HB LYS 37 45.851 31.224 1.227 1372 1HG LYS 37 2HG LYS 37 44.187 29.578 0.773 1373 2HG LYS 37 3HG LYS 37 45.571 29.072 -0.175 1374 1HD LYS 37 2HD LYS 37 46.095 27.285 1.280 1375 2HD LYS 37 3HD LYS 37 45.269 28.014 2.643 1376 1HE LYS 37 2HE LYS 37 43.776 26.301 2.006 1377 2HE LYS 37 3HE LYS 37 43.082 27.710 1.229 1378 1HZ LYS 37 1HZ LYS 37 43.287 26.596 -0.644 1379 2HZ LYS 37 2HZ LYS 37 44.911 26.732 -0.541 1380 3HZ LYS 37 3HZ LYS 37 44.164 25.403 0.044 1381 H ASP 38 HN ASP 38 49.512 29.968 3.070 1382 HA ASP 38 HA ASP 38 50.160 32.722 2.373 1383 1HB ASP 38 2HB ASP 38 49.501 31.504 4.972 1384 2HB ASP 38 3HB ASP 38 51.071 32.283 5.011 1385 H CYS 39 HN CYS 39 51.130 29.792 1.713 1386 HA CYS 39 HA CYS 39 53.630 29.486 2.955 1387 1HB CYS 39 2HB CYS 39 52.298 27.660 1.851 1388 2HB CYS 39 3HB CYS 39 52.732 28.337 0.294 1389 HA PRO 40 HA PRO 40 55.763 32.467 0.565 1390 1HB PRO 40 2HB PRO 40 58.304 31.953 1.427 1391 2HB PRO 40 3HB PRO 40 57.178 32.962 2.312 1392 1HG PRO 40 2HG PRO 40 58.040 30.196 2.896 1393 2HG PRO 40 3HG PRO 40 57.271 31.354 3.963 1394 1HD PRO 40 2HD PRO 40 56.025 29.110 2.681 1395 2HD PRO 40 3HD PRO 40 55.234 30.334 3.654 1396 H LYS 41 HN LYS 41 55.652 29.278 -0.007 1397 HA LYS 41 HA LYS 41 57.695 29.382 -2.083 1398 1HB LYS 41 2HB LYS 41 56.136 27.157 -0.771 1399 2HB LYS 41 3HB LYS 41 56.986 26.900 -2.281 1400 1HG LYS 41 2HG LYS 41 59.021 26.872 -1.256 1401 2HG LYS 41 3HG LYS 41 58.673 28.325 -0.341 1402 1HD LYS 41 2HD LYS 41 58.446 27.048 1.516 1403 2HD LYS 41 3HD LYS 41 57.009 26.337 0.808 1404 1HE LYS 41 2HE LYS 41 58.066 24.353 0.473 1405 2HE LYS 41 3HE LYS 41 59.379 25.132 -0.388 1406 1HZ LYS 41 1HZ LYS 41 59.874 23.972 1.799 1407 2HZ LYS 41 2HZ LYS 41 60.545 25.439 1.552 1408 3HZ LYS 41 3HZ LYS 41 59.240 25.292 2.522 1409 H LYS 42 HN LYS 42 54.278 29.774 -1.558 1410 HA LYS 42 HA LYS 42 53.329 28.882 -4.031 1411 1HB LYS 42 2HB LYS 42 52.317 30.193 -1.692 1412 2HB LYS 42 3HB LYS 42 51.762 31.078 -3.099 1413 1HG LYS 42 2HG LYS 42 51.449 28.397 -3.870 1414 2HG LYS 42 3HG LYS 42 51.018 28.373 -2.171 1415 1HD LYS 42 2HD LYS 42 49.883 30.645 -3.758 1416 2HD LYS 42 3HD LYS 42 49.276 29.055 -4.177 1417 1HE LYS 42 2HE LYS 42 49.285 29.065 -1.350 1418 2HE LYS 42 3HE LYS 42 48.745 30.676 -1.781 1419 1HZ LYS 42 1HZ LYS 42 47.283 28.359 -1.870 1420 2HZ LYS 42 2HZ LYS 42 46.816 29.837 -2.382 1421 3HZ LYS 42 3HZ LYS 42 47.501 28.789 -3.431 1422 HA PRO 43 HA PRO 43 55.105 31.994 -6.513 1423 1HB PRO 43 2HB PRO 43 54.259 31.037 -8.930 1424 2HB PRO 43 3HB PRO 43 55.714 30.474 -8.132 1425 1HG PRO 43 2HG PRO 43 53.098 29.122 -8.386 1426 2HG PRO 43 3HG PRO 43 54.656 28.430 -7.982 1427 1HD PRO 43 2HD PRO 43 52.510 29.000 -6.166 1428 2HD PRO 43 3HD PRO 43 54.109 28.417 -5.749 1429 H ARG 44 HN ARG 44 53.494 33.360 -5.250 1430 HA ARG 44 HA ARG 44 51.097 33.843 -6.656 1431 1HB ARG 44 2HB ARG 44 52.125 34.411 -4.084 1432 2HB ARG 44 3HB ARG 44 51.937 35.991 -4.818 1433 1HG ARG 44 2HG ARG 44 49.609 34.348 -5.431 1434 2HG ARG 44 3HG ARG 44 49.895 34.339 -3.702 1435 1HD ARG 44 2HD ARG 44 50.229 37.038 -4.828 1436 2HD ARG 44 3HD ARG 44 48.640 36.390 -5.184 1437 HE ARG 44 HE ARG 44 49.393 35.940 -2.406 1438 1HH1 ARG 44 2HH2 ARG 44 48.087 38.326 -4.638 1439 2HH1 ARG 44 1HH2 ARG 44 47.256 39.214 -3.404 1440 1HH2 ARG 44 2HH1 ARG 44 48.297 37.110 -0.777 1441 2HH2 ARG 44 1HH1 ARG 44 47.376 38.517 -1.193 1442 H GLY 45 HN GLY 45 50.602 35.540 -8.103 1443 1HA GLY 45 1HA GLY 45 52.559 36.604 -9.714 1444 2HA GLY 45 2HA GLY 45 50.941 37.252 -9.522 1445 HA PRO 46 HA PRO 46 51.433 38.776 -10.615 1446 1HB PRO 46 2HB PRO 46 52.705 40.848 -11.862 1447 2HB PRO 46 3HB PRO 46 51.205 41.038 -10.977 1448 1HG PRO 46 2HG PRO 46 53.941 41.825 -10.180 1449 2HG PRO 46 3HG PRO 46 52.409 42.371 -9.529 1450 1HD PRO 46 2HD PRO 46 54.207 40.483 -8.333 1451 2HD PRO 46 3HD PRO 46 52.621 40.942 -7.741 1452 H ARG 47 HN ARG 47 51.893 37.215 -12.023 1453 HA ARG 47 HA ARG 47 54.682 37.150 -12.816 1454 1HB ARG 47 2HB ARG 47 53.197 35.091 -11.316 1455 2HB ARG 47 3HB ARG 47 53.850 34.446 -12.810 1456 1HG ARG 47 2HG ARG 47 55.682 36.173 -11.165 1457 2HG ARG 47 3HG ARG 47 55.298 34.591 -10.518 1458 1HD ARG 47 2HD ARG 47 56.477 33.477 -12.162 1459 2HD ARG 47 3HD ARG 47 55.993 34.598 -13.419 1460 HE ARG 47 HE ARG 47 57.672 36.158 -11.924 1461 1HH1 ARG 47 2HH2 ARG 47 58.027 32.908 -13.223 1462 2HH1 ARG 47 1HH2 ARG 47 59.747 33.021 -13.384 1463 1HH2 ARG 47 2HH1 ARG 47 59.943 36.309 -12.136 1464 2HH2 ARG 47 1HH1 ARG 47 60.844 34.969 -12.761 1465 H GLY 48 HN GLY 48 55.020 36.027 -14.939 1466 1HA GLY 48 1HA GLY 48 52.782 35.150 -16.479 1467 2HA GLY 48 2HA GLY 48 53.254 36.783 -16.907 1468 HA PRO 49 HA PRO 49 56.615 33.621 -18.106 1469 1HB PRO 49 2HB PRO 49 55.625 31.258 -19.055 1470 2HB PRO 49 3HB PRO 49 56.240 31.454 -17.425 1471 1HG PRO 49 2HG PRO 49 53.435 31.253 -18.338 1472 2HG PRO 49 3HG PRO 49 54.084 31.024 -16.726 1473 1HD PRO 49 2HD PRO 49 52.671 33.323 -17.696 1474 2HD PRO 49 3HD PRO 49 53.421 33.140 -16.122 1475 H ARG 50 HN ARG 50 56.057 35.652 -19.458 1476 HA ARG 50 HA ARG 50 54.736 35.200 -21.843 1477 1HB ARG 50 2HB ARG 50 56.568 37.294 -20.725 1478 2HB ARG 50 3HB ARG 50 56.448 37.258 -22.472 1479 1HG ARG 50 2HG ARG 50 53.953 37.225 -20.732 1480 2HG ARG 50 3HG ARG 50 54.744 38.733 -21.143 1481 1HD ARG 50 2HD ARG 50 54.496 37.181 -23.568 1482 2HD ARG 50 3HD ARG 50 52.939 37.170 -22.763 1483 HE ARG 50 HE ARG 50 52.761 39.512 -23.067 1484 1HH1 ARG 50 2HH2 ARG 50 55.965 38.386 -23.987 1485 2HH1 ARG 50 1HH2 ARG 50 56.406 39.872 -24.761 1486 1HH2 ARG 50 2HH1 ARG 50 53.341 41.473 -24.087 1487 2HH2 ARG 50 1HH1 ARG 50 54.903 41.639 -24.818 1488 HA PRO 51 HA PRO 51 57.961 32.936 -23.820 1489 1HB PRO 51 2HB PRO 51 56.593 32.286 -26.096 1490 2HB PRO 51 3HB PRO 51 56.495 31.349 -24.618 1491 1HG PRO 51 2HG PRO 51 54.509 33.214 -25.766 1492 2HG PRO 51 3HG PRO 51 54.275 31.971 -24.555 1493 1HD PRO 51 2HD PRO 51 54.457 34.797 -24.100 1494 2HD PRO 51 3HD PRO 51 54.339 33.545 -22.880 1495 H GLN 52 HN GLN 52 59.643 33.284 -25.234 1496 HA GLN 52 HA GLN 52 59.251 35.765 -26.718 1497 1HB GLN 52 2HB GLN 52 61.071 35.377 -24.742 1498 2HB GLN 52 3HB GLN 52 62.019 34.793 -26.096 1499 1HG GLN 52 2HG GLN 52 61.170 37.031 -27.274 1500 2HG GLN 52 3HG GLN 52 60.887 37.561 -25.628 1501 1HE2 GLN 52 1HE2 GLN 52 62.523 38.199 -24.384 1502 2HE2 GLN 52 2HE2 GLN 52 64.199 38.177 -24.819 1503 H THR 53 HN THR 53 60.102 35.899 -28.889 1504 HA THR 53 HA THR 53 61.471 33.729 -30.084 1505 HB THR 53 HB THR 53 59.206 32.676 -29.802 1506 HG1 THR 53 HG1 THR 53 59.004 32.417 -32.252 1507 1HG2 THR 53 1HG2 THR 53 58.380 35.104 -31.464 1508 2HG2 THR 53 2HG2 THR 53 57.434 33.595 -31.449 1509 3HG2 THR 53 3HG2 THR 53 57.649 34.527 -29.947 1510 H SER 54 HN SER 54 61.850 34.091 -32.415 1511 HA SER 54 HA SER 54 61.101 36.720 -33.310 1512 1HB SER 54 2HB SER 54 63.675 36.201 -32.145 1513 2HB SER 54 3HB SER 54 63.920 36.421 -33.867 1514 HG SER 54 HG SER 54 62.166 38.278 -32.657 1515 H LEU 55 HN LEU 55 61.587 37.011 -35.674 1516 HA LEU 55 HA LEU 55 62.693 34.960 -37.212 1517 1HB LEU 55 2HB LEU 55 60.671 33.760 -36.371 1518 2HB LEU 55 3HB LEU 55 59.673 34.941 -37.194 1519 HG LEU 55 HG LEU 55 61.184 34.167 -39.280 1520 1HD1 LEU 55 1HD1 LEU 55 61.166 31.536 -38.963 1521 2HD1 LEU 55 2HD1 LEU 55 62.564 32.530 -38.489 1522 3HD1 LEU 55 3HD1 LEU 55 61.403 31.981 -37.256 1523 1HD2 LEU 55 1HD2 LEU 55 59.057 33.888 -39.880 1524 2HD2 LEU 55 2HD2 LEU 55 59.218 32.217 -39.287 1525 3HD2 LEU 55 3HD2 LEU 55 58.553 33.479 -38.223 1526 H LEU 56 HN LEU 56 62.713 35.526 -39.475 1527 HA LEU 56 HA LEU 56 62.261 38.357 -39.832 1528 1HB LEU 56 2HB LEU 56 64.349 37.628 -40.571 1529 2HB LEU 56 3HB LEU 56 63.693 36.203 -41.352 1530 HG LEU 56 HG LEU 56 62.492 37.902 -42.926 1531 1HD1 LEU 56 1HD1 LEU 56 64.745 39.638 -41.877 1532 2HD1 LEU 56 2HD1 LEU 56 63.684 40.006 -43.258 1533 3HD1 LEU 56 3HD1 LEU 56 63.005 39.907 -41.616 1534 1HD2 LEU 56 1HD2 LEU 56 63.942 36.671 -44.128 1535 2HD2 LEU 56 2HD2 LEU 56 64.924 38.156 -44.094 1536 3HD2 LEU 56 3HD2 LEU 56 65.252 36.845 -42.936 Start of MODEL 16 1 1H5* G 276 1H5* G 276 72.183 17.700 3.628 2 2H5* G 276 2H5* G 276 73.509 18.226 2.591 3 H4* G 276 H4* G 276 72.448 16.259 1.670 4 H3* G 276 H3* G 276 72.183 18.814 0.119 5 H2* G 276 H2* G 276 71.033 17.664 -1.619 6 2HO* G 276 2HO* G 276 71.180 15.251 -0.126 7 H1* G 276 H1* G 276 69.220 16.456 0.098 8 H8 G 276 H8 G 276 69.845 19.759 1.597 9 H1 G 276 H1 G 276 65.928 20.081 -3.545 10 1H2 G 276 1H2 G 276 65.966 18.283 -4.554 11 2H2 G 276 2H2 G 276 66.918 16.895 -4.078 12 1H5* G 277 1H5* G 277 72.872 16.124 -2.682 13 2H5* G 277 2H5* G 277 74.224 16.558 -3.728 14 H4* G 277 H4* G 277 72.376 16.206 -5.146 15 H3* G 277 H3* G 277 72.907 19.152 -4.750 16 H2* G 277 H2* G 277 71.307 19.608 -6.435 17 2HO* G 277 2HO* G 277 70.656 16.969 -6.974 18 H1* G 277 H1* G 277 69.514 17.639 -5.374 19 H8 G 277 H8 G 277 70.805 19.868 -2.707 20 H1 G 277 H1 G 277 65.879 22.462 -6.006 21 1H2 G 277 1H2 G 277 65.497 21.323 -7.682 22 2H2 G 277 2H2 G 277 66.380 19.880 -8.127 23 1H5* C 278 1H5* C 278 73.510 18.279 -8.748 24 2H5* C 278 2H5* C 278 74.643 19.278 -9.659 25 H4* C 278 H4* C 278 72.353 19.507 -10.481 26 H3* C 278 H3* C 278 73.600 21.970 -9.248 27 H2* C 278 H2* C 278 71.764 23.219 -10.044 28 2HO* C 278 2HO* C 278 70.603 21.009 -11.343 29 H1* C 278 H1* C 278 69.919 21.125 -9.355 30 1H4 C 278 1H4 C 278 69.017 25.770 -5.046 31 2H4 C 278 2H4 C 278 70.331 25.103 -4.103 32 H5 C 278 H5 C 278 71.706 23.327 -4.833 33 H6 C 278 H6 C 278 72.163 21.738 -6.667 34 1H5* G 279 1H5* G 279 73.128 22.607 -13.486 35 2H5* G 279 2H5* G 279 74.368 23.623 -14.220 36 H4* G 279 H4* G 279 72.261 24.622 -14.668 37 H3* G 279 H3* G 279 73.836 26.094 -12.558 38 H2* G 279 H2* G 279 72.213 27.829 -12.631 39 2HO* G 279 2HO* G 279 72.058 27.529 -14.972 40 H1* G 279 H1* G 279 70.068 25.968 -12.560 41 H8 G 279 H8 G 279 72.656 24.991 -10.095 42 H1 G 279 H1 G 279 68.784 29.712 -7.951 43 1H2 G 279 1H2 G 279 67.651 30.437 -9.513 44 2H2 G 279 2H2 G 279 67.737 29.852 -11.160 45 1H5* G 280 1H5* G 280 74.308 29.593 -15.918 46 2H5* G 280 2H5* G 280 75.738 30.217 -15.097 47 H4* G 280 H4* G 280 73.687 31.741 -15.314 48 H3* G 280 H3* G 280 75.264 31.331 -12.788 49 H2* G 280 H2* G 280 73.923 32.950 -11.686 50 2HO* G 280 2HO* G 280 72.841 33.271 -14.336 51 H1* G 280 H1* G 280 71.513 31.853 -12.566 52 H8 G 280 H8 G 280 73.659 28.949 -11.913 53 H1 G 280 H1 G 280 71.421 31.617 -6.458 54 1H2 G 280 1H2 G 280 70.594 33.458 -6.880 55 2H2 G 280 2H2 G 280 70.518 34.173 -8.475 56 1H5* U 281 1H5* U 281 74.805 34.958 -13.043 57 2H5* U 281 2H5* U 281 76.138 36.081 -13.313 58 H4* U 281 H4* U 281 75.048 37.056 -11.540 59 H3* U 281 H3* U 281 77.219 35.300 -10.391 60 H2* U 281 H2* U 281 76.703 36.151 -8.244 61 2HO* U 281 2HO* U 281 76.122 38.238 -8.358 62 H1* U 281 H1* U 281 73.901 35.939 -8.686 63 H3 U 281 H3 U 281 74.807 33.064 -5.262 64 H5 U 281 H5 U 281 76.034 31.025 -8.707 65 H6 U 281 H6 U 281 75.649 33.101 -9.954 66 2HO* AP7 282 2HO* A 282 78.134 39.058 -3.843 67 H2* AP7 282 H2* A 282 79.603 37.381 -4.719 68 H3* AP7 282 H3* A 282 80.290 37.718 -6.960 69 H4* AP7 282 H4* A 282 78.285 39.963 -7.173 70 H1* AP7 282 H1* A 282 76.850 37.610 -5.395 71 H8 AP7 282 H8 A 282 79.019 35.486 -7.647 72 H2 AP7 282 H2 A 282 75.772 34.386 -2.207 73 H1 AP7 282 H1 A 282 76.311 32.259 -2.738 74 1H6 AP7 282 1H6 A 282 77.300 30.659 -4.083 75 2H6 AP7 282 2H6 A 282 78.154 31.111 -5.541 76 2H5* AP7 282 2H5* A 282 79.823 39.717 -9.035 77 1H5* AP7 282 1H5* A 282 78.170 39.353 -9.526 78 1H5* C 283 1H5* C 283 81.375 40.530 -3.861 79 2H5* C 283 2H5* C 283 83.047 40.343 -3.331 80 H4* C 283 H4* C 283 81.492 39.738 -1.565 81 H3* C 283 H3* C 283 83.274 37.607 -2.682 82 H2* C 283 H2* C 283 82.395 36.007 -1.161 83 2HO* C 283 2HO* C 283 81.005 38.323 -0.159 84 H1* C 283 H1* C 283 79.722 36.754 -1.721 85 1H4 C 283 1H4 C 283 80.794 31.497 -5.202 86 2H4 C 283 2H4 C 283 81.471 32.503 -6.464 87 H5 C 283 H5 C 283 81.830 34.827 -6.243 88 H6 C 283 H6 C 283 81.626 36.778 -4.742 89 1H5* U 284 1H5* U 284 83.344 37.182 1.091 90 2H5* U 284 2H5* U 284 84.806 37.617 1.977 91 H4* U 284 H4* U 284 84.302 35.624 2.964 92 H3* U 284 H3* U 284 86.153 35.031 0.676 93 H2* U 284 H2* U 284 86.104 32.715 1.221 94 2HO* U 284 2HO* U 284 86.050 32.821 3.437 95 H1* U 284 H1* U 284 83.329 32.599 1.344 96 H3 U 284 H3 U 284 84.286 30.509 -2.566 97 H5 U 284 H5 U 284 84.720 34.577 -3.459 98 H6 U 284 H6 U 284 84.425 35.033 -1.068 99 1H5* A 285 1H5* A 285 88.028 32.905 4.164 100 2H5* A 285 2H5* A 285 89.758 33.043 3.856 101 H4* A 285 H4* A 285 88.861 30.703 4.046 102 H3* A 285 H3* A 285 90.426 31.608 1.635 103 H2* A 285 H2* A 285 90.422 29.375 0.828 104 2HO* A 285 2HO* A 285 89.472 27.768 2.374 105 H1* A 285 H1* A 285 87.675 29.023 1.325 106 H8 A 285 H8 A 285 88.065 32.426 -0.023 107 1H6 A 285 1H6 A 285 88.208 29.918 -5.737 108 2H6 A 285 2H6 A 285 88.082 31.422 -4.852 109 H2 A 285 H2 A 285 88.562 26.632 -2.767 110 1H5* G 286 1H5* G 286 92.577 27.898 2.982 111 2H5* G 286 2H5* G 286 94.260 28.311 2.650 112 H4* G 286 H4* G 286 93.509 26.271 1.487 113 H3* G 286 H3* G 286 94.420 28.625 -0.164 114 H2* G 286 H2* G 286 94.309 27.256 -2.099 115 2HO* G 286 2HO* G 286 94.968 25.271 -1.490 116 H1* G 286 H1* G 286 91.780 26.204 -1.365 117 H8 G 286 H8 G 286 91.728 29.841 -0.756 118 H1 G 286 H1 G 286 90.972 28.358 -7.009 119 1H2 G 286 1H2 G 286 91.417 26.366 -7.304 120 2H2 G 286 2H2 G 286 91.920 25.261 -6.043 121 1H5* U 287 1H5* U 287 96.899 25.338 -0.988 122 2H5* U 287 2H5* U 287 98.532 25.720 -1.532 123 H4* U 287 H4* U 287 97.261 24.510 -3.232 124 H3* U 287 H3* U 287 98.100 27.334 -3.878 125 H2* U 287 H2* U 287 97.358 26.995 -6.109 126 2HO* U 287 2HO* U 287 98.194 24.784 -5.999 127 H1* U 287 H1* U 287 94.937 25.791 -5.233 128 H3 U 287 H3 U 287 93.748 29.641 -7.393 129 H5 U 287 H5 U 287 94.948 30.876 -3.576 130 H6 U 287 H6 U 287 95.736 28.587 -3.190 131 1H5* U 288 1H5* U 288 99.981 25.092 -6.828 132 2H5* U 288 2H5* U 288 101.596 25.683 -7.218 133 H4* U 288 H4* U 288 100.198 25.802 -9.171 134 H3* U 288 H3* U 288 100.913 28.484 -7.979 135 H2* U 288 H2* U 288 99.973 29.518 -9.887 136 2HO* U 288 2HO* U 288 100.233 28.351 -11.700 137 H1* U 288 H1* U 288 97.738 27.734 -9.887 138 H3 U 288 H3 U 288 95.914 31.867 -9.305 139 H5 U 288 H5 U 288 97.541 30.907 -5.569 140 H6 U 288 H6 U 288 98.565 28.946 -6.628 141 1H5* G 289 1H5* G 289 102.912 29.137 -11.995 142 2H5* G 289 2H5* G 289 104.249 30.153 -11.456 143 H4* G 289 H4* G 289 102.696 31.259 -13.052 144 H3* G 289 H3* G 289 103.243 32.429 -10.345 145 H2* G 289 H2* G 289 101.867 34.298 -10.836 146 2HO* G 289 2HO* G 289 101.062 34.384 -13.102 147 H1* G 289 H1* G 289 99.822 32.619 -11.916 148 H8 G 289 H8 G 289 101.269 31.522 -8.621 149 H1 G 289 H1 G 289 96.338 35.678 -8.083 150 1H2 G 289 1H2 G 289 95.855 36.419 -9.946 151 2H2 G 289 2H2 G 289 96.665 35.981 -11.432 152 1H5* A 290 1H5* A 290 105.190 35.257 -9.032 153 2H5* A 290 2H5* A 290 103.434 35.224 -8.866 154 H4* A 290 H4* A 290 104.367 37.427 -8.356 155 H3* A 290 H3* A 290 102.533 37.208 -10.741 156 H2* A 290 H2* A 290 102.568 39.564 -10.943 157 2HO* A 290 2HO* A 290 102.514 40.337 -8.905 158 H1* A 290 H1* A 290 105.386 39.671 -10.455 159 H8 A 290 H8 A 290 105.200 37.144 -12.970 160 1H6 A 290 1H6 A 290 104.115 41.516 -17.290 161 2H6 A 290 2H6 A 290 104.558 39.841 -17.048 162 H2 A 290 H2 A 290 103.549 43.350 -13.282 163 1H5* G 291 1H5* G 291 101.118 40.925 -10.376 164 2H5* G 291 2H5* G 291 99.478 40.556 -9.844 165 H4* G 291 H4* G 291 99.516 41.757 -11.978 166 H3* G 291 H3* G 291 98.360 38.986 -11.890 167 H2* G 291 H2* G 291 97.723 39.167 -14.175 168 2HO* G 291 2HO* G 291 97.178 41.241 -14.541 169 H1* G 291 H1* G 291 100.228 40.037 -15.014 170 H8 G 291 H8 G 291 100.281 37.516 -12.188 171 H1 G 291 H1 G 291 100.370 34.917 -18.114 172 1H2 G 291 1H2 G 291 100.078 36.397 -19.520 173 2H2 G 291 2H2 G 291 99.843 38.090 -19.148 174 1H5* A 292 1H5* A 292 95.111 42.354 -11.327 175 2H5* A 292 2H5* A 292 93.506 41.687 -11.027 176 H4* A 292 H4* A 292 94.015 42.064 -13.424 177 H3* A 292 H3* A 292 93.346 39.282 -12.469 178 H2* A 292 H2* A 292 93.290 38.562 -14.724 179 2HO* A 292 2HO* A 292 92.611 40.104 -16.096 180 H1* A 292 H1* A 292 95.664 39.996 -15.372 181 H8 A 292 H8 A 292 95.284 37.823 -12.249 182 1H6 A 292 1H6 A 292 98.436 33.497 -15.460 183 2H6 A 292 2H6 A 292 97.725 33.870 -13.906 184 H2 A 292 H2 A 292 97.712 36.966 -18.141 185 1H5* A 293 1H5* A 293 90.345 38.510 -15.884 186 2H5* A 293 2H5* A 293 89.559 37.435 -14.728 187 H4* A 293 H4* A 293 91.138 36.610 -16.763 188 H3* A 293 H3* A 293 90.415 35.321 -14.153 189 H2* A 293 H2* A 293 91.858 33.497 -14.608 190 2HO* A 293 2HO* A 293 92.099 34.842 -17.145 191 H1* A 293 H1* A 293 94.031 35.058 -15.307 192 H8 A 293 H8 A 293 92.341 37.014 -12.691 193 1H6 A 293 1H6 A 293 95.106 33.356 -8.457 194 2H6 A 293 2H6 A 293 94.189 34.829 -8.674 195 H2 A 293 H2 A 293 95.679 31.524 -12.465 196 1H5* A 294 1H5* A 294 90.600 32.403 -16.999 197 2H5* A 294 2H5* A 294 89.088 31.504 -17.123 198 H4* A 294 H4* A 294 90.767 29.877 -16.991 199 H3* A 294 H3* A 294 89.345 30.226 -14.368 200 H2* A 294 H2* A 294 90.623 28.460 -13.428 201 2HO* A 294 2HO* A 294 92.193 27.515 -15.178 202 H1* A 294 H1* A 294 93.060 29.449 -14.345 203 H8 A 294 H8 A 294 90.826 32.290 -13.398 204 1H6 A 294 1H6 A 294 92.941 31.598 -7.567 205 2H6 A 294 2H6 A 294 91.997 32.628 -8.620 206 H2 A 294 H2 A 294 94.379 28.158 -9.984 207 1H5* C 295 1H5* C 295 89.392 26.505 -15.466 208 2H5* C 295 2H5* C 295 88.068 25.352 -15.299 209 H4* C 295 H4* C 295 89.807 24.452 -14.027 210 H3* C 295 H3* C 295 87.807 25.847 -12.262 211 H2* C 295 H2* C 295 88.998 25.106 -10.350 212 2HO* C 295 2HO* C 295 90.889 23.774 -11.991 213 H1* C 295 H1* C 295 91.503 25.829 -11.448 214 1H4 C 295 1H4 C 295 90.020 30.673 -7.565 215 2H4 C 295 2H4 C 295 88.938 31.310 -8.784 216 H5 C 295 H5 C 295 88.449 30.209 -10.815 217 H6 C 295 H6 C 295 88.881 28.203 -12.190 218 1H5* U 296 1H5* U 296 87.359 21.393 -10.984 219 2H5* U 296 2H5* U 296 85.671 21.322 -10.478 220 H4* U 296 H4* U 296 87.238 20.647 -8.705 221 H3* U 296 H3* U 296 85.465 23.038 -8.252 222 H2* U 296 H2* U 296 86.229 23.155 -6.006 223 2HO* U 296 2HO* U 296 88.020 21.130 -5.971 224 H1* U 296 H1* U 296 88.929 22.903 -6.725 225 H3 U 296 H3 U 296 88.313 27.190 -5.231 226 H5 U 296 H5 U 296 87.143 27.255 -9.252 227 H6 U 296 H6 U 296 87.330 24.810 -9.243 228 1H5* A 297 1H5* A 297 85.161 20.408 -5.395 229 2H5* A 297 2H5* A 297 83.642 19.920 -4.645 230 H4* A 297 H4* A 297 84.975 20.689 -2.884 231 H3* A 297 H3* A 297 82.925 22.722 -3.707 232 H2* A 297 H2* A 297 83.639 24.173 -1.961 233 2HO* A 297 2HO* A 297 85.308 21.910 -1.335 234 H1* A 297 H1* A 297 86.355 23.892 -2.650 235 H8 A 297 H8 A 297 84.504 24.136 -5.819 236 1H6 A 297 1H6 A 297 84.437 30.331 -5.070 237 2H6 A 297 2H6 A 297 84.123 29.037 -6.204 238 H2 A 297 H2 A 297 85.809 28.486 -1.267 239 1H5* G 298 1H5* G 298 83.208 22.835 0.578 240 2H5* G 298 2H5* G 298 81.589 22.389 1.115 241 H4* G 298 H4* G 298 82.231 24.295 2.362 242 H3* G 298 H3* G 298 80.171 24.827 0.259 243 H2* G 298 H2* G 298 80.072 27.129 0.860 244 2HO* G 298 2HO* G 298 82.123 26.764 2.781 245 H1* G 298 H1* G 298 82.877 27.400 0.793 246 H8 G 298 H8 G 298 82.017 25.327 -2.103 247 H1 G 298 H1 G 298 80.618 31.570 -3.072 248 1H2 G 298 1H2 G 298 80.722 32.585 -1.281 249 2H2 G 298 2H2 G 298 81.128 31.854 0.256 250 1H5* C 299 1H5* C 299 79.060 26.687 3.061 251 2H5* C 299 2H5* C 299 77.507 26.580 3.891 252 H4* C 299 H4* C 299 77.708 28.810 3.175 253 H3* C 299 H3* C 299 75.827 27.214 1.462 254 H2* C 299 H2* C 299 75.350 29.114 0.152 255 2HO* C 299 2HO* C 299 77.002 30.708 1.832 256 H1* C 299 H1* C 299 78.113 29.922 0.146 257 1H4 C 299 1H4 C 299 76.854 27.755 -5.746 258 2H4 C 299 2H4 C 299 77.242 26.141 -5.192 259 H5 C 299 H5 C 299 77.692 25.597 -2.938 260 H6 C 299 H6 C 299 77.883 26.477 -0.639 261 1H5* U 300 1H5* U 300 74.551 31.222 3.154 262 2H5* U 300 2H5* U 300 72.804 31.238 3.392 263 H4* U 300 H4* U 300 73.536 33.234 2.227 264 H3* U 300 H3* U 300 71.807 31.316 0.680 265 H2* U 300 H2* U 300 71.725 32.850 -1.119 266 2HO* U 300 2HO* U 300 71.520 34.628 0.384 267 H1* U 300 H1* U 300 74.462 33.385 -1.102 268 H3 U 300 H3 U 300 74.092 30.855 -4.825 269 H5 U 300 H5 U 300 73.572 28.097 -1.717 270 H6 U 300 H6 U 300 73.589 29.995 -0.163 271 1H5* C 301 1H5* C 301 69.277 34.859 1.504 272 2H5* C 301 2H5* C 301 67.601 34.632 1.008 273 H4* C 301 H4* C 301 68.935 36.069 -0.518 274 H3* C 301 H3* C 301 67.553 33.602 -1.515 275 H2* C 301 H2* C 301 68.289 34.027 -3.723 276 2HO* C 301 2HO* C 301 67.900 36.339 -3.304 277 H1* C 301 H1* C 301 70.925 34.694 -2.819 278 1H4 C 301 1H4 C 301 71.380 28.862 -5.412 279 2H4 C 301 2H4 C 301 70.881 28.178 -3.881 280 H5 C 301 H5 C 301 70.173 29.464 -2.032 281 H6 C 301 H6 C 301 69.766 31.749 -1.188 282 1H5* U 302 1H5* U 302 66.064 36.454 -3.848 283 2H5* U 302 2H5* U 302 64.344 36.447 -4.232 284 H4* U 302 H4* U 302 65.341 36.010 -6.274 285 H3* U 302 H3* U 302 64.521 33.399 -5.014 286 H2* U 302 H2* U 302 65.166 32.276 -7.010 287 2HO* U 302 2HO* U 302 64.344 34.123 -8.249 288 H1* U 302 H1* U 302 67.633 33.640 -7.134 289 H3 U 302 H3 U 302 69.219 29.567 -6.107 290 H5 U 302 H5 U 302 66.978 30.576 -2.716 291 H6 U 302 H6 U 302 66.272 32.600 -3.906 292 1H5* G 303 1H5* G 303 62.467 33.784 -8.511 293 2H5* G 303 2H5* G 303 60.902 33.003 -8.733 294 H4* G 303 H4* G 303 62.464 31.896 -10.136 295 H3* G 303 H3* G 303 61.764 30.259 -7.693 296 H2* G 303 H2* G 303 62.915 28.441 -8.662 297 2HO* G 303 2HO* G 303 62.259 28.565 -10.765 298 H1* G 303 H1* G 303 65.029 30.143 -9.596 299 H8 G 303 H8 G 303 64.307 30.800 -6.029 300 H1 G 303 H1 G 303 68.030 25.581 -6.913 301 1H2 G 303 1H2 G 303 68.046 25.078 -8.913 302 2H2 G 303 2H2 G 303 67.179 25.940 -10.164 303 1H5* U 304 1H5* U 304 59.972 27.095 -7.046 304 2H5* U 304 2H5* U 304 61.267 28.075 -7.732 305 H4* U 304 H4* U 304 60.353 26.213 -9.717 306 H3* U 304 H3* U 304 60.500 25.054 -7.004 307 H2* U 304 H2* U 304 62.042 23.359 -7.579 308 2HO* U 304 2HO* U 304 62.574 23.353 -10.000 309 H1* U 304 H1* U 304 63.849 24.990 -8.840 310 H3 U 304 H3 U 304 65.512 24.147 -4.659 311 H5 U 304 H5 U 304 62.996 27.461 -4.181 312 H6 U 304 H6 U 304 62.242 27.097 -6.486 313 1H5* A 305 1H5* A 305 57.612 21.407 -10.894 314 2H5* A 305 2H5* A 305 57.364 22.562 -9.585 315 H4* A 305 H4* A 305 58.397 19.886 -9.486 316 H3* A 305 H3* A 305 57.579 21.952 -7.449 317 H2* A 305 H2* A 305 58.574 20.694 -5.764 318 2HO* A 305 2HO* A 305 58.966 18.445 -7.419 319 H1* A 305 H1* A 305 60.578 19.674 -7.675 320 H8 A 305 H8 A 305 59.842 23.056 -5.998 321 1H6 A 305 1H6 A 305 65.421 22.340 -3.294 322 2H6 A 305 2H6 A 305 64.039 23.403 -3.431 323 H2 A 305 H2 A 305 64.654 18.794 -5.859 324 1H5* U 306 1H5* U 306 53.300 18.879 -5.413 325 2H5* U 306 2H5* U 306 53.081 20.607 -5.688 326 H4* U 306 H4* U 306 53.241 19.429 -3.248 327 H3* U 306 H3* U 306 53.881 22.265 -4.078 328 H2* U 306 H2* U 306 54.546 22.717 -1.922 329 2HO* U 306 2HO* U 306 52.366 22.029 -1.316 330 H1* U 306 H1* U 306 54.964 19.793 -1.443 331 H3 U 306 H3 U 306 58.984 20.337 0.410 332 H5 U 306 H5 U 306 58.726 23.667 -2.116 333 H6 U 306 H6 U 306 56.537 22.828 -2.836 334 1H5* C 307 1H5* C 307 49.969 20.408 -0.571 335 2H5* C 307 2H5* C 307 48.464 19.951 -1.368 336 H4* C 307 H4* C 307 48.356 21.834 0.332 337 H3* C 307 H3* C 307 47.232 22.101 -2.456 338 H2* C 307 H2* C 307 46.275 24.173 -1.820 339 2HO* C 307 2HO* C 307 45.569 23.746 0.224 340 H1* C 307 H1* C 307 48.641 25.011 -0.490 341 1H4 C 307 1H4 C 307 48.549 27.939 -6.197 342 2H4 C 307 2H4 C 307 49.522 26.626 -6.820 343 H5 C 307 H5 C 307 50.046 24.677 -5.593 344 H6 C 307 H6 C 307 49.761 23.496 -3.443 345 1H5* U 308 1H5* U 308 42.382 20.319 -1.078 346 2H5* U 308 2H5* U 308 41.901 20.762 0.560 347 H4* U 308 H4* U 308 42.568 18.294 -0.055 348 H3* U 308 H3* U 308 43.261 19.759 2.496 349 H2* U 308 H2* U 308 44.378 17.894 3.245 350 2HO* U 308 2HO* U 308 42.610 16.524 1.428 351 H1* U 308 H1* U 308 44.630 16.927 0.420 352 H3 U 308 H3 U 308 49.032 16.144 0.600 353 H5 U 308 H5 U 308 48.442 18.724 3.845 354 H6 U 308 H6 U 308 46.095 18.893 3.158 355 1H5* G 309 1H5* G 309 40.633 18.750 6.489 356 2H5* G 309 2H5* G 309 39.525 19.696 5.494 357 H4* G 309 H4* G 309 40.716 20.830 7.482 358 H3* G 309 H3* G 309 40.529 22.046 4.719 359 H2* G 309 H2* G 309 41.516 23.980 5.549 360 2HO* G 309 2HO* G 309 40.824 24.575 7.542 361 H1* G 309 H1* G 309 42.993 22.394 7.555 362 H8 G 309 H8 G 309 43.204 22.744 3.734 363 H1 G 309 H1 G 309 48.290 24.995 7.042 364 1H2 G 309 1H2 G 309 47.953 24.764 9.064 365 2H2 G 309 2H2 G 309 46.508 24.065 9.759 366 1H5* G 310 1H5* G 310 40.984 23.815 3.636 367 2H5* G 310 2H5* G 310 40.048 25.007 4.538 368 H4* G 310 H4* G 310 40.686 25.155 1.881 369 H3* G 310 H3* G 310 38.496 26.495 3.472 370 H2* G 310 H2* G 310 37.846 27.638 1.507 371 2HO* G 310 2HO* G 310 39.669 28.181 0.452 372 H1* G 310 H1* G 310 38.167 25.285 -0.092 373 H8 G 310 H8 G 310 36.212 24.332 2.847 374 H1 G 310 H1 G 310 32.659 27.592 -1.471 375 1H2 G 310 1H2 G 310 33.902 28.464 -2.867 376 2H2 G 310 2H2 G 310 35.646 28.332 -2.867 377 1H5* C 311 1H5* C 311 40.915 29.632 2.102 378 2H5* C 311 2H5* C 311 41.228 30.949 3.233 379 H4* C 311 H4* C 311 40.123 31.933 1.415 380 H3* C 311 H3* C 311 38.217 31.495 3.713 381 H2* C 311 H2* C 311 36.571 32.711 2.519 382 2HO* C 311 2HO* C 311 37.491 34.309 1.379 383 H1* C 311 H1* C 311 37.164 31.370 0.084 384 1H4 C 311 1H4 C 311 31.865 28.590 2.346 385 2H4 C 311 2H4 C 311 32.869 27.532 3.313 386 H5 C 311 H5 C 311 35.214 27.741 3.490 387 H6 C 311 H6 C 311 37.195 29.032 2.777 388 1H5* G 312 1H5* G 312 38.130 36.465 3.501 389 2H5* G 312 2H5* G 312 36.858 36.540 4.721 390 H4* G 312 H4* G 312 36.550 37.087 2.059 391 H3* G 312 H3* G 312 34.625 36.462 4.258 392 H2* G 312 H2* G 312 32.809 36.352 2.723 393 2HO* G 312 2HO* G 312 34.868 37.153 0.874 394 H1* G 312 H1* G 312 34.041 34.580 1.020 395 H8 G 312 H8 G 312 35.509 33.362 4.061 396 H1 G 312 H1 G 312 29.161 32.108 3.929 397 1H2 G 312 1H2 G 312 28.269 33.228 2.445 398 2H2 G 312 2H2 G 312 29.114 34.342 1.394 399 1H5* G 313 1H5* G 313 32.026 37.951 1.618 400 2H5* G 313 2H5* G 313 31.977 39.641 2.122 401 H4* G 313 H4* G 313 29.750 39.230 1.856 402 H3* G 313 H3* G 313 30.430 38.658 4.719 403 H2* G 313 H2* G 313 28.200 38.009 5.171 404 2HO* G 313 2HO* G 313 27.678 38.785 2.450 405 H1* G 313 H1* G 313 27.951 36.331 2.992 406 H8 G 313 H8 G 313 31.470 36.387 4.352 407 H1 G 313 H1 G 313 27.573 32.096 7.230 408 1H2 G 313 1H2 G 313 25.635 32.383 6.584 409 2H2 G 313 2H2 G 313 25.141 33.605 5.433 410 1H5* A 314 1H5* A 314 26.337 40.472 4.245 411 2H5* A 314 2H5* A 314 26.016 41.262 5.789 412 H4* A 314 H4* A 314 24.472 39.369 5.138 413 H3* A 314 H3* A 314 25.864 39.524 7.793 414 H2* A 314 H2* A 314 24.731 37.558 8.515 415 2HO* A 314 2HO* A 314 22.857 38.349 7.211 416 H1* A 314 H1* A 314 25.416 36.080 6.283 417 H8 A 314 H8 A 314 28.078 38.583 7.232 418 1H6 A 314 1H6 A 314 30.509 34.066 10.787 419 2H6 A 314 2H6 A 314 30.776 35.680 10.166 420 H2 A 314 H2 A 314 26.596 32.653 9.228 421 1H5* C 315 1H5* C 315 22.758 37.201 8.800 422 2H5* C 315 2H5* C 315 21.744 38.264 9.774 423 H4* C 315 H4* C 315 22.298 36.104 10.865 424 H3* C 315 H3* C 315 22.163 38.554 12.117 425 H2* C 315 H2* C 315 24.481 38.897 12.346 426 2HO* C 315 2HO* C 315 24.771 38.236 14.574 427 H1* C 315 H1* C 315 24.967 35.971 12.961 428 1H4 C 315 1H4 C 315 30.865 37.354 11.055 429 2H4 C 315 2H4 C 315 30.274 38.615 9.995 430 H5 C 315 H5 C 315 27.989 39.161 9.747 431 H6 C 315 H6 C 315 25.687 38.626 10.461 432 1H5* C 316 1H5* C 316 19.856 35.834 11.581 433 2H5* C 316 2H5* C 316 18.407 36.680 12.120 434 H4* C 316 H4* C 316 17.268 34.784 12.404 435 H3* C 316 H3* C 316 19.589 33.950 14.030 436 H2* C 316 H2* C 316 19.305 31.638 13.632 437 2HO* C 316 2HO* C 316 17.170 31.687 11.953 438 H1* C 316 H1* C 316 19.111 31.809 10.904 439 1H4 C 316 1H4 C 316 25.425 31.535 11.649 440 2H4 C 316 2H4 C 316 25.440 33.150 12.323 441 H5 C 316 H5 C 316 23.494 34.429 12.717 442 H6 C 316 H6 C 316 21.030 34.473 12.560 443 1H5* C 317 1H5* C 317 16.520 31.276 15.125 444 2H5* C 317 2H5* C 317 16.610 30.891 16.843 445 H4* C 317 H4* C 317 16.926 28.940 15.338 446 H3* C 317 H3* C 317 19.005 29.699 17.360 447 H2* C 317 H2* C 317 20.362 27.875 16.731 448 2HO* C 317 2HO* C 317 18.300 26.636 16.530 449 H1* C 317 H1* C 317 19.902 28.318 13.946 450 1H4 C 317 1H4 C 317 25.793 30.545 14.998 451 2H4 C 317 2H4 C 317 25.108 32.005 15.678 452 H5 C 317 H5 C 317 22.796 32.334 16.031 453 H6 C 317 H6 C 317 20.550 31.332 15.816 454 1H5* G 318 1H5* G 318 19.063 25.696 18.081 455 2H5* G 318 2H5* G 318 18.771 25.472 19.805 456 H4* G 318 H4* G 318 20.851 24.455 19.310 457 H3* G 318 H3* G 318 21.103 27.053 20.796 458 H2* G 318 H2* G 318 23.428 26.897 20.792 459 2HO* G 318 2HO* G 318 22.982 24.173 19.967 460 H1* G 318 H1* G 318 23.390 25.557 18.181 461 H8 G 318 H8 G 318 22.051 29.063 18.602 462 H1 G 318 H1 G 318 28.274 28.774 16.845 463 1H2 G 318 1H2 G 318 28.923 26.819 16.929 464 2H2 G 318 2H2 G 318 27.930 25.459 17.405 465 1H5* U 319 1H5* U 319 21.880 28.618 23.577 466 2H5* U 319 2H5* U 319 21.921 28.179 21.869 467 H4* U 319 H4* U 319 24.184 28.469 21.695 468 H3* U 319 H3* U 319 24.362 27.602 24.556 469 H2* U 319 H2* U 319 26.414 28.779 24.826 470 2HO* U 319 2HO* U 319 26.019 29.169 22.002 471 H1* U 319 H1* U 319 25.273 31.079 23.528 472 H3 U 319 H3 U 319 25.857 33.137 27.454 473 H5 U 319 H5 U 319 23.623 29.764 28.534 474 H6 U 319 H6 U 319 23.753 29.050 26.192 475 1H5* G 320 1H5* G 320 26.327 25.980 21.289 476 2H5* G 320 2H5* G 320 25.436 24.753 20.388 477 H4* G 320 H4* G 320 27.298 23.132 21.109 478 H3* G 320 H3* G 320 28.390 25.612 22.240 479 H2* G 320 H2* G 320 30.502 25.467 21.169 480 2HO* G 320 2HO* G 320 29.477 23.010 20.072 481 H1* G 320 H1* G 320 29.534 25.185 18.638 482 H8 G 320 H8 G 320 26.792 27.126 19.979 483 H1 G 320 H1 G 320 32.143 30.722 19.403 484 1H2 G 320 1H2 G 320 33.770 29.493 19.099 485 2H2 G 320 2H2 G 320 33.695 27.748 19.011 486 1H5* G 321 1H5* G 321 31.478 22.820 22.663 487 2H5* G 321 2H5* G 321 32.080 22.754 24.319 488 H4* G 321 H4* G 321 33.930 23.140 22.866 489 H3* G 321 H3* G 321 33.133 25.477 24.566 490 H2* G 321 H2* G 321 34.922 26.770 23.694 491 2HO* G 321 2HO* G 321 35.566 24.272 22.414 492 H1* G 321 H1* G 321 34.315 25.976 21.023 493 H8 G 321 H8 G 321 31.120 26.894 22.497 494 H1 G 321 H1 G 321 34.710 32.108 21.154 495 1H2 G 321 1H2 G 321 36.648 31.526 20.759 496 2H2 G 321 2H2 G 321 37.217 29.872 20.787 497 1H5* U 322 1H5* U 322 36.929 24.265 26.947 498 2H5* U 322 2H5* U 322 36.732 25.186 28.438 499 H4* U 322 H4* U 322 38.450 26.005 26.726 500 H3* U 322 H3* U 322 36.425 27.743 28.101 501 H2* U 322 H2* U 322 37.277 29.658 27.002 502 2HO* U 322 2HO* U 322 39.284 27.771 26.165 503 H1* U 322 H1* U 322 37.445 28.253 24.507 504 H3 U 322 H3 U 322 34.619 31.767 23.767 505 H5 U 322 H5 U 322 32.297 28.933 25.796 506 H6 U 322 H6 U 322 34.357 27.655 26.165 507 1H5* G 323 1H5* G 323 40.387 29.717 29.389 508 2H5* G 323 2H5* G 323 40.220 29.541 31.136 509 H4* G 323 H4* G 323 40.785 31.765 30.909 510 H3* G 323 H3* G 323 37.813 31.499 31.152 511 H2* G 323 H2* G 323 37.545 33.859 30.986 512 2HO* G 323 2HO* G 323 39.447 35.141 31.144 513 H1* G 323 H1* G 323 39.055 34.095 28.688 514 H8 G 323 H8 G 323 37.356 30.780 28.582 515 H1 G 323 H1 G 323 33.549 35.676 26.735 516 1H2 G 323 1H2 G 323 34.470 37.469 27.173 517 2H2 G 323 2H2 G 323 36.040 37.621 27.928 518 1H5* G 324 1H5* G 324 35.569 32.875 34.652 519 2H5* G 324 2H5* G 324 34.678 31.964 33.433 520 H4* G 324 H4* G 324 35.326 34.343 32.144 521 H3* G 324 H3* G 324 35.130 34.889 35.034 522 H2* G 324 H2* G 324 33.395 36.470 34.863 523 2HO* G 324 2HO* G 324 34.371 37.387 32.964 524 H1* G 324 H1* G 324 31.700 35.037 33.327 525 H8 G 324 H8 G 324 33.225 32.136 34.757 526 H1 G 324 H1 G 324 29.952 35.417 39.274 527 1H2 G 324 1H2 G 324 29.517 37.306 38.572 528 2H2 G 324 2H2 G 324 29.970 37.912 36.994 529 1H5* A 325 1H5* A 325 35.506 38.798 33.760 530 2H5* A 325 2H5* A 325 36.930 39.547 34.482 531 H4* A 325 H4* A 325 35.114 40.908 35.088 532 H3* A 325 H3* A 325 36.033 39.154 37.346 533 H2* A 325 H2* A 325 34.436 40.140 38.793 534 2HO* A 325 2HO* A 325 33.487 42.102 38.123 535 H1* A 325 H1* A 325 32.318 39.889 37.014 536 H8 A 325 H8 A 325 34.349 36.876 36.449 537 1H6 A 325 1H6 A 325 31.667 34.367 41.495 538 2H6 A 325 2H6 A 325 32.670 34.023 40.103 539 H2 A 325 H2 A 325 30.647 38.690 41.383 540 1H5* A 326 1H5* A 326 37.794 43.089 39.360 541 2H5* A 326 2H5* A 326 38.575 42.235 40.689 542 H4* A 326 H4* A 326 36.429 43.663 41.102 543 H3* A 326 H3* A 326 37.188 41.056 42.343 544 H2* A 326 H2* A 326 35.145 40.964 43.565 545 2HO* A 326 2HO* A 326 34.925 43.153 43.993 546 H1* A 326 H1* A 326 33.563 41.397 41.326 547 H8 A 326 H8 A 326 36.036 39.382 39.728 548 1H6 A 326 1H6 A 326 33.830 34.333 42.656 549 2H6 A 326 2H6 A 326 34.862 34.878 41.353 550 H2 A 326 H2 A 326 32.137 37.935 44.631 551 1H5* C 327 1H5* C 327 35.950 43.255 45.727 552 2H5* C 327 2H5* C 327 37.133 43.049 47.018 553 H4* C 327 H4* C 327 34.949 42.322 47.754 554 H3* C 327 H3* C 327 37.067 40.213 47.478 555 H2* C 327 H2* C 327 35.571 38.580 48.355 556 2HO* C 327 2HO* C 327 33.339 40.144 48.575 557 H1* C 327 H1* C 327 33.513 39.248 46.613 558 1H4 C 327 1H4 C 327 36.879 34.621 43.720 559 2H4 C 327 2H4 C 327 37.749 35.868 42.856 560 H5 C 327 H5 C 327 37.512 38.178 43.288 561 H6 C 327 H6 C 327 36.371 39.876 44.671 562 1H5* U 328 1H5* U 328 35.392 39.759 51.246 563 2H5* U 328 2H5* U 328 36.607 39.714 52.523 564 H4* U 328 H4* U 328 35.109 37.838 52.742 565 H3* U 328 H3* U 328 37.939 37.186 51.953 566 H2* U 328 H2* U 328 37.445 34.872 52.130 567 2HO* U 328 2HO* U 328 36.116 35.310 54.018 568 H1* U 328 H1* U 328 35.071 35.059 50.664 569 H3 U 328 H3 U 328 38.490 32.897 48.345 570 H5 U 328 H5 U 328 38.527 36.908 47.140 571 H6 U 328 H6 U 328 36.972 37.372 48.978 572 1H5* G 329 1H5* G 329 38.963 34.463 55.767 573 2H5* G 329 2H5* G 329 40.565 35.155 55.509 574 H4* G 329 H4* G 329 40.019 32.598 55.045 575 H3* G 329 H3* G 329 41.943 34.412 53.613 576 H2* G 329 H2* G 329 42.588 32.619 52.204 577 2HO* G 329 2HO* G 329 42.118 30.528 52.906 578 H1* G 329 H1* G 329 39.857 31.820 51.846 579 H8 G 329 H8 G 329 39.964 35.410 51.235 580 H1 G 329 H1 G 329 42.458 32.068 46.286 581 1H2 G 329 1H2 G 329 42.783 30.117 46.867 582 2H2 G 329 2H2 G 329 42.433 29.480 48.459 583 1H5* U 330 1H5* U 330 45.915 34.760 53.965 584 2H5* U 330 2H5* U 330 44.982 33.674 52.936 585 H4* U 330 H4* U 330 47.659 33.558 53.228 586 H3* U 330 H3* U 330 45.643 31.515 52.413 587 H2* U 330 H2* U 330 47.248 29.772 52.450 588 2HO* U 330 2HO* U 330 49.168 31.781 53.168 589 H1* U 330 H1* U 330 48.259 30.462 54.960 590 H3 U 330 H3 U 330 45.979 26.926 56.467 591 H5 U 330 H5 U 330 42.966 29.253 54.720 592 H6 U 330 H6 U 330 44.717 30.823 54.026 593 1H5* G 331 1H5* G 331 47.892 30.564 48.842 594 2H5* G 331 2H5* G 331 46.603 30.585 47.638 595 H4* G 331 H4* G 331 47.642 28.348 48.058 596 H3* G 331 H3* G 331 44.700 28.835 48.218 597 H2* G 331 H2* G 331 44.274 26.577 48.813 598 2HO* G 331 2HO* G 331 45.960 25.078 48.501 599 H1* G 331 H1* G 331 46.248 26.540 50.806 600 H8 G 331 H8 G 331 44.399 29.803 50.698 601 H1 G 331 H1 G 331 41.450 25.236 54.209 602 1H2 G 331 1H2 G 331 42.397 23.427 53.920 603 2H2 G 331 2H2 G 331 43.783 23.183 52.881 604 1H5* A 332 1H5* A 332 44.891 26.821 43.874 605 2H5* A 332 2H5* A 332 43.181 26.886 43.445 606 H4* A 332 H4* A 332 44.182 24.697 44.400 607 H3* A 332 H3* A 332 41.535 25.918 45.050 608 H2* A 332 H2* A 332 41.052 24.224 46.640 609 2HO* A 332 2HO* A 332 42.037 22.590 45.333 610 H1* A 332 H1* A 332 43.543 24.440 47.907 611 H8 A 332 H8 A 332 42.246 27.798 46.875 612 1H6 A 332 1H6 A 332 39.250 27.955 52.348 613 2H6 A 332 2H6 A 332 39.683 28.901 50.941 614 H2 A 332 H2 A 332 40.936 23.880 51.803 615 1H5* A 333 1H5* A 333 39.459 22.829 45.745 616 2H5* A 333 2H5* A 333 38.323 22.824 44.395 617 H4* A 333 H4* A 333 37.094 23.085 46.427 618 H3* A 333 H3* A 333 37.206 25.520 44.675 619 H2* A 333 H2* A 333 35.782 26.690 46.167 620 2HO* A 333 2HO* A 333 35.660 24.102 47.428 621 H1* A 333 H1* A 333 37.217 26.022 48.443 622 H8 A 333 H8 A 333 39.606 26.427 45.606 623 1H6 A 333 1H6 A 333 39.633 32.532 46.902 624 2H6 A 333 2H6 A 333 40.407 31.281 45.956 625 H2 A 333 H2 A 333 36.416 30.618 49.296 626 1H5* G 334 1H5* G 334 33.058 24.673 46.522 627 2H5* G 334 2H5* G 334 31.969 25.717 45.609 628 H4* G 334 H4* G 334 32.520 26.125 48.171 629 H3* G 334 H3* G 334 31.932 28.126 46.012 630 H2* G 334 H2* G 334 32.166 29.904 47.574 631 2HO* G 334 2HO* G 334 31.163 28.613 49.243 632 H1* G 334 H1* G 334 34.604 29.011 48.549 633 H8 G 334 H8 G 334 35.045 28.091 45.105 634 H1 G 334 H1 G 334 35.044 34.528 45.770 635 1H2 G 334 1H2 G 334 34.309 35.028 47.630 636 2H2 G 334 2H2 G 334 33.772 33.875 48.832 637 1H5* U 335 1H5* U 335 29.358 29.449 49.359 638 2H5* U 335 2H5* U 335 27.944 30.150 48.573 639 H4* U 335 H4* U 335 29.349 31.690 50.021 640 H3* U 335 H3* U 335 28.516 32.349 47.211 641 H2* U 335 H2* U 335 29.513 34.495 47.410 642 2HO* U 335 2HO* U 335 29.883 33.623 50.131 643 H1* U 335 H1* U 335 31.909 33.521 48.445 644 H3 U 335 H3 U 335 32.340 34.968 44.045 645 H5 U 335 H5 U 335 31.636 30.841 43.901 646 H6 U 335 H6 U 335 31.092 30.951 46.290 647 1H5* U 336 1H5* U 336 26.433 35.394 49.549 648 2H5* U 336 2H5* U 336 24.876 35.771 48.814 649 H4* U 336 H4* U 336 26.222 37.739 48.771 650 H3* U 336 H3* U 336 25.726 36.447 46.119 651 H2* U 336 H2* U 336 26.979 38.131 45.000 652 2HO* U 336 2HO* U 336 26.523 39.949 46.150 653 H1* U 336 H1* U 336 29.146 37.900 46.784 654 H3 U 336 H3 U 336 30.626 36.314 42.761 655 H5 U 336 H5 U 336 28.501 33.127 44.454 656 H6 U 336 H6 U 336 27.756 34.680 46.199 657 1H5* C 337 1H5* C 337 24.849 40.501 45.205 658 2H5* C 337 2H5* C 337 23.533 40.509 44.031 659 H4* C 337 H4* C 337 25.698 41.434 43.200 660 H3* C 337 H3* C 337 24.322 39.166 41.785 661 H2* C 337 H2* C 337 25.978 39.154 40.124 662 2HO* C 337 2HO* C 337 27.347 41.067 39.997 663 H1* C 337 H1* C 337 28.042 39.724 42.095 664 1H4 C 337 1H4 C 337 29.145 33.807 39.883 665 2H4 C 337 2H4 C 337 28.092 33.199 41.141 666 H5 C 337 H5 C 337 26.814 34.582 42.567 667 H6 C 337 H6 C 337 26.227 36.911 43.144 668 1H5* G 338 1H5* G 338 23.787 41.753 38.644 669 2H5* G 338 2H5* G 338 22.176 41.550 37.959 670 H4* G 338 H4* G 338 23.759 40.662 36.416 671 H3* G 338 H3* G 338 22.136 38.566 37.847 672 H2* G 338 H2* G 338 23.138 36.893 36.531 673 2HO* G 338 2HO* G 338 24.106 39.172 35.057 674 H1* G 338 H1* G 338 25.698 38.275 36.664 675 H8 G 338 H8 G 338 24.320 37.529 40.012 676 H1 G 338 H1 G 338 27.357 32.461 37.369 677 1H2 G 338 1H2 G 338 27.733 32.845 35.378 678 2H2 G 338 2H2 G 338 27.291 34.321 34.548 679 1H5* G 339 1H5* G 339 22.239 36.760 34.428 680 2H5* G 339 2H5* G 339 20.617 36.161 34.090 681 H4* G 339 H4* G 339 22.499 34.468 34.559 682 H3* G 339 H3* G 339 19.706 34.382 35.602 683 H2* G 339 H2* G 339 20.321 33.063 37.350 684 2HO* G 339 2HO* G 339 21.858 31.234 36.168 685 H1* G 339 H1* G 339 23.162 33.109 36.217 686 H8 G 339 H8 G 339 24.700 32.285 38.010 687 H1 G 339 H1 G 339 20.707 34.092 42.772 688 1H2 G 339 1H2 G 339 19.037 34.992 41.966 689 2H2 G 339 2H2 G 339 18.759 35.223 40.254 690 1H5* A 340 1H5* A 340 20.964 33.631 31.182 691 2H5* A 340 2H5* A 340 22.626 33.462 30.614 692 H4* A 340 H4* A 340 21.150 35.744 30.487 693 H3* A 340 H3* A 340 24.096 35.230 30.389 694 H2* A 340 H2* A 340 24.551 37.569 30.375 695 2HO* A 340 2HO* A 340 21.682 37.630 30.210 696 H1* A 340 H1* A 340 22.868 38.036 32.583 697 H8 A 340 H8 A 340 24.513 34.996 33.596 698 1H6 A 340 1H6 A 340 29.664 38.278 34.878 699 2H6 A 340 2H6 A 340 28.880 36.729 35.093 700 H2 A 340 H2 A 340 26.928 40.855 32.507 701 1H5* A 341 1H5* A 341 23.105 38.678 28.034 702 2H5* A 341 2H5* A 341 23.996 38.573 26.516 703 H4* A 341 H4* A 341 24.388 40.691 27.679 704 H3* A 341 H3* A 341 26.726 38.839 27.266 705 H2* A 341 H2* A 341 28.178 40.506 28.126 706 2HO* A 341 2HO* A 341 26.868 42.134 27.007 707 H1* A 341 H1* A 341 26.552 41.054 30.340 708 H8 A 341 H8 A 341 26.510 37.393 29.674 709 1H6 A 341 1H6 A 341 31.748 37.009 33.047 710 2H6 A 341 2H6 A 341 30.488 36.073 32.272 711 H2 A 341 H2 A 341 30.868 41.305 32.330 712 1H5* C 342 1H5* C 342 27.579 42.063 25.145 713 2H5* C 342 2H5* C 342 28.241 42.026 23.510 714 H4* C 342 H4* C 342 29.841 42.989 25.043 715 H3* C 342 H3* C 342 30.545 40.356 23.794 716 H2* C 342 H2* C 342 32.671 40.385 24.866 717 2HO* C 342 2HO* C 342 31.744 42.980 25.707 718 H1* C 342 H1* C 342 31.637 40.896 27.382 719 1H4 C 342 1H4 C 342 31.845 34.510 26.702 720 2H4 C 342 2H4 C 342 30.124 34.562 26.392 721 H5 C 342 H5 C 342 28.894 36.561 26.129 722 H6 C 342 H6 C 342 29.013 39.027 26.099 723 1H5* A 343 1H5* A 343 33.751 42.294 23.464 724 2H5* A 343 2H5* A 343 34.408 42.587 21.855 725 H4* A 343 H4* A 343 36.156 41.609 23.066 726 H3* A 343 H3* A 343 34.832 39.640 21.227 727 H2* A 343 H2* A 343 36.397 37.971 21.860 728 2HO* A 343 2HO* A 343 38.284 38.658 22.908 729 H1* A 343 H1* A 343 36.085 38.399 24.588 730 H8 A 343 H8 A 343 32.819 38.907 22.832 731 1H6 A 343 1H6 A 343 31.910 32.763 23.444 732 2H6 A 343 2H6 A 343 31.151 34.268 22.978 733 H2 A 343 H2 A 343 36.087 33.677 24.652 734 1H5* C 344 1H5* C 344 38.861 39.665 19.424 735 2H5* C 344 2H5* C 344 38.640 39.276 17.717 736 H4* C 344 H4* C 344 39.847 37.520 18.928 737 H3* C 344 H3* C 344 37.180 36.843 17.708 738 H2* C 344 H2* C 344 37.534 34.556 18.271 739 2HO* C 344 2HO* C 344 39.663 34.137 18.134 740 H1* C 344 H1* C 344 38.250 35.177 20.917 741 1H4 C 344 1H4 C 344 32.043 33.753 21.299 742 2H4 C 344 2H4 C 344 31.644 35.340 20.680 743 H5 C 344 H5 C 344 33.249 36.904 19.937 744 H6 C 344 H6 C 344 35.657 37.337 19.602 745 1H5* C 345 1H5* C 345 39.078 34.366 14.112 746 2H5* C 345 2H5* C 345 37.443 33.874 13.669 747 H4* C 345 H4* C 345 39.253 32.404 15.137 748 H3* C 345 H3* C 345 36.286 32.169 14.711 749 H2* C 345 H2* C 345 36.235 30.307 16.206 750 2HO* C 345 2HO* C 345 38.930 30.503 16.897 751 H1* C 345 H1* C 345 37.639 31.680 18.196 752 1H4 C 345 1H4 C 345 31.331 32.423 19.270 753 2H4 C 345 2H4 C 345 31.535 34.071 18.721 754 H5 C 345 H5 C 345 33.526 34.902 17.762 755 H6 C 345 H6 C 345 35.837 34.349 17.087 756 1H5* C 346 1H5* C 346 37.141 28.764 15.037 757 2H5* C 346 2H5* C 346 37.078 27.701 13.632 758 H4* C 346 H4* C 346 35.940 26.537 15.303 759 H3* C 346 H3* C 346 33.958 27.908 13.485 760 H2* C 346 H2* C 346 32.217 26.748 14.604 761 2HO* C 346 2HO* C 346 32.857 24.996 15.999 762 H1* C 346 H1* C 346 33.378 27.293 17.158 763 1H4 C 346 1H4 C 346 28.388 31.263 16.354 764 2H4 C 346 2H4 C 346 29.539 32.484 15.857 765 H5 C 346 H5 C 346 31.836 32.060 15.505 766 H6 C 346 H6 C 346 33.612 30.345 15.546 767 1H5* G 347 1H5* G 347 33.600 23.516 12.563 768 2H5* G 347 2H5* G 347 33.083 23.312 10.890 769 H4* G 347 H4* G 347 31.522 22.287 12.470 770 H3* G 347 H3* G 347 30.518 24.585 10.798 771 H2* G 347 H2* G 347 28.322 24.164 11.609 772 2HO* G 347 2HO* G 347 28.913 21.825 11.548 773 H1* G 347 H1* G 347 29.221 23.976 14.285 774 H8 G 347 H8 G 347 31.023 26.856 13.059 775 H1 G 347 H1 G 347 24.735 28.190 13.807 776 1H2 G 347 1H2 G 347 23.681 26.433 14.038 777 2H2 G 347 2H2 G 347 24.394 24.836 14.030 778 1H5* G 348 1H5* G 348 28.535 21.138 8.749 779 2H5* G 348 2H5* G 348 27.917 21.708 7.199 780 H4* G 348 H4* G 348 26.213 21.332 9.023 781 H3* G 348 H3* G 348 26.412 23.942 7.529 782 H2* G 348 H2* G 348 24.416 24.662 8.605 783 2HO* G 348 2HO* G 348 23.606 22.809 10.160 784 H1* G 348 H1* G 348 25.332 23.831 11.143 785 H8 G 348 H8 G 348 28.288 25.383 9.805 786 H1 G 348 H1 G 348 23.768 29.818 11.140 787 1H2 G 348 1H2 G 348 21.952 28.884 11.430 788 2H2 G 348 2H2 G 348 21.692 27.158 11.326 789 1H5* C 349 1H5* C 349 22.569 24.526 7.863 790 2H5* C 349 2H5* C 349 22.027 24.467 6.186 791 H4* C 349 H4* C 349 21.509 26.624 6.997 792 H3* C 349 H3* C 349 23.909 26.621 5.175 793 H2* C 349 H2* C 349 23.996 28.973 5.296 794 2HO* C 349 2HO* C 349 21.753 29.261 5.084 795 H1* C 349 H1* C 349 23.381 28.932 8.115 796 1H4 C 349 1H4 C 349 29.541 30.622 7.555 797 2H4 C 349 2H4 C 349 29.958 28.926 7.652 798 H5 C 349 H5 C 349 28.370 27.179 7.654 799 H6 C 349 H6 C 349 25.966 26.623 7.562 800 1H5* C 350 1H5* C 350 20.920 28.611 2.491 801 2H5* C 350 2H5* C 350 21.416 28.259 0.836 802 H4* C 350 H4* C 350 21.583 30.658 1.477 803 H3* C 350 H3* C 350 23.972 29.146 0.468 804 H2* C 350 H2* C 350 25.294 31.106 0.569 805 2HO* C 350 2HO* C 350 23.430 32.337 -0.209 806 H1* C 350 H1* C 350 24.199 31.795 3.136 807 1H4 C 350 1H4 C 350 30.140 29.751 4.314 808 2H4 C 350 2H4 C 350 29.563 28.101 4.239 809 H5 C 350 H5 C 350 27.363 27.502 3.626 810 H6 C 350 H6 C 350 25.150 28.349 2.927 811 1H5* G 351 1H5* G 351 23.442 32.264 -2.537 812 2H5* G 351 2H5* G 351 23.252 31.493 -4.112 813 H4* G 351 H4* G 351 24.933 33.051 -4.467 814 H3* G 351 H3* G 351 26.058 30.314 -4.066 815 H2* G 351 H2* G 351 28.286 31.114 -4.244 816 2HO* G 351 2HO* G 351 26.867 33.525 -4.911 817 H1* G 351 H1* G 351 27.879 33.207 -2.431 818 H8 G 351 H8 G 351 26.177 29.895 -1.681 819 H1 G 351 H1 G 351 32.040 30.597 0.969 820 1H2 G 351 1H2 G 351 32.906 32.334 0.275 821 2H2 G 351 2H2 G 351 32.156 33.436 -0.857 822 1H5* C 352 1H5* C 352 27.653 31.396 -7.900 823 2H5* C 352 2H5* C 352 27.889 29.985 -8.932 824 H4* C 352 H4* C 352 30.008 31.016 -8.275 825 H3* C 352 H3* C 352 29.437 28.199 -7.407 826 H2* C 352 H2* C 352 31.575 28.039 -6.409 827 2HO* C 352 2HO* C 352 32.679 30.409 -6.868 828 H1* C 352 H1* C 352 31.345 30.646 -5.250 829 1H4 C 352 1H4 C 352 30.359 26.669 -0.362 830 2H4 C 352 2H4 C 352 28.758 26.316 -0.971 831 H5 C 352 H5 C 352 27.918 27.141 -3.019 832 H6 C 352 H6 C 352 28.415 28.522 -5.006 833 1H5* A 353 1H5* A 353 32.142 27.937 -11.161 834 2H5* A 353 2H5* A 353 31.621 26.614 -12.205 835 H4* A 353 H4* A 353 33.889 26.258 -11.428 836 H3* A 353 H3* A 353 31.779 24.328 -10.540 837 H2* A 353 H2* A 353 33.381 23.045 -9.351 838 2HO* A 353 2HO* A 353 34.914 23.542 -11.126 839 H1* A 353 H1* A 353 34.527 25.326 -8.139 840 H8 A 353 H8 A 353 30.763 24.719 -8.538 841 1H6 A 353 1H6 A 353 30.880 23.151 -2.498 842 2H6 A 353 2H6 A 353 29.836 23.379 -3.884 843 H2 A 353 H2 A 353 35.041 24.023 -3.789 844 1H5* A 354 1H5* A 354 35.194 21.973 -12.350 845 2H5* A 354 2H5* A 354 34.572 20.367 -12.726 846 H4* A 354 H4* A 354 36.404 20.467 -11.005 847 H3* A 354 H3* A 354 33.787 19.084 -10.515 848 H2* A 354 H2* A 354 34.533 18.373 -8.377 849 2HO* A 354 2HO* A 354 36.945 19.388 -8.120 850 H1* A 354 H1* A 354 35.507 20.933 -7.697 851 H8 A 354 H8 A 354 32.266 21.386 -9.402 852 1H6 A 354 1H6 A 354 29.486 20.203 -3.941 853 2H6 A 354 2H6 A 354 29.220 20.781 -5.571 854 H2 A 354 H2 A 354 33.796 19.196 -3.553 855 1H5* C 355 1H5* C 355 36.509 15.562 -10.117 856 2H5* C 355 2H5* C 355 35.665 14.276 -10.979 857 H4* C 355 H4* C 355 36.034 13.636 -8.681 858 H3* C 355 H3* C 355 33.171 14.122 -9.476 859 H2* C 355 H2* C 355 32.466 13.350 -7.348 860 2HO* C 355 2HO* C 355 35.267 12.729 -7.081 861 H1* C 355 H1* C 355 34.432 14.873 -5.990 862 1H4 C 355 1H4 C 355 29.045 18.275 -5.488 863 2H4 C 355 2H4 C 355 29.344 18.946 -7.077 864 H5 C 355 H5 C 355 31.108 18.254 -8.487 865 H6 C 355 H6 C 355 33.038 16.732 -8.722 866 1H5* C 356 1H5* C 356 34.010 9.959 -8.841 867 2H5* C 356 2H5* C 356 32.907 8.694 -9.381 868 H4* C 356 H4* C 356 32.846 8.853 -6.982 869 H3* C 356 H3* C 356 30.353 9.754 -8.409 870 H2* C 356 H2* C 356 29.264 9.986 -6.306 871 2HO* C 356 2HO* C 356 31.742 8.951 -5.263 872 H1* C 356 H1* C 356 31.408 11.418 -5.186 873 1H4 C 356 1H4 C 356 27.361 15.947 -7.145 874 2H4 C 356 2H4 C 356 27.949 15.757 -8.781 875 H5 C 356 H5 C 356 29.505 14.104 -9.437 876 H6 C 356 H6 C 356 30.892 12.209 -8.676 877 1H5* C 357 1H5* C 357 29.755 6.963 -5.864 878 2H5* C 357 2H5* C 357 29.457 5.258 -6.204 879 H4* C 357 H4* C 357 28.032 5.489 -4.470 880 H3* C 357 H3* C 357 26.477 6.252 -6.902 881 H2* C 357 H2* C 357 24.605 6.913 -5.613 882 2HO* C 357 2HO* C 357 25.143 5.059 -4.170 883 H1* C 357 H1* C 357 25.995 8.501 -3.861 884 1H4 C 357 1H4 C 357 24.647 12.340 -8.800 885 2H4 C 357 2H4 C 357 26.183 11.905 -9.515 886 H5 C 357 H5 C 357 27.623 10.253 -8.634 887 H6 C 357 H6 C 357 27.946 8.595 -6.834 888 1H5* U 358 1H5* U 358 23.197 5.335 -4.510 889 2H5* U 358 2H5* U 358 22.678 3.821 -5.253 890 H4* U 358 H4* U 358 20.761 5.127 -5.269 891 H3* U 358 H3* U 358 22.103 5.226 -7.954 892 H2* U 358 H2* U 358 20.357 6.592 -8.795 893 2HO* U 358 2HO* U 358 18.810 5.320 -7.550 894 H1* U 358 H1* U 358 20.385 8.221 -6.439 895 H3 U 358 H3 U 358 21.559 11.320 -9.488 896 H5 U 358 H5 U 358 24.796 8.662 -9.536 897 H6 U 358 H6 U 358 23.516 7.231 -8.011 898 1H5* G 359 1H5* G 359 18.307 3.416 -7.881 899 2H5* G 359 2H5* G 359 17.649 2.340 -9.113 900 H4* G 359 H4* G 359 16.410 4.400 -9.096 901 H3* G 359 H3* G 359 18.152 3.997 -11.529 902 H2* G 359 H2* G 359 17.131 5.898 -12.510 903 2HO* G 359 2HO* G 359 15.027 5.557 -11.862 904 H1* G 359 H1* G 359 17.318 7.372 -10.069 905 H8 G 359 H8 G 359 20.531 5.687 -10.816 906 H1 G 359 H1 G 359 19.740 11.188 -14.132 907 1H2 G 359 1H2 G 359 17.790 11.832 -13.944 908 2H2 G 359 2H2 G 359 16.552 11.004 -13.024 909 1H5* G 360 1H5* G 360 14.105 3.625 -12.178 910 2H5* G 360 2H5* G 360 13.283 2.485 -13.243 911 H4* G 360 H4* G 360 12.568 4.505 -14.073 912 H3* G 360 H3* G 360 14.984 3.662 -15.662 913 H2* G 360 H2* G 360 14.674 5.550 -17.077 914 2HO* G 360 2HO* G 360 12.438 6.371 -15.535 915 H1* G 360 H1* G 360 14.363 7.307 -14.897 916 H8 G 360 H8 G 360 17.060 4.798 -14.258 917 H1 G 360 H1 G 360 19.033 9.900 -17.716 918 1H2 G 360 1H2 G 360 17.399 11.021 -18.286 919 2H2 G 360 2H2 G 360 15.739 10.635 -17.886 920 1H5* G 361 1H5* G 361 11.264 2.715 -18.009 921 2H5* G 361 2H5* G 361 11.406 1.460 -19.239 922 H4* G 361 H4* G 361 11.188 3.540 -20.360 923 H3* G 361 H3* G 361 13.943 2.358 -20.473 924 H2* G 361 H2* G 361 14.672 4.143 -21.870 925 2HO* G 361 2HO* G 361 12.994 5.610 -22.626 926 H1* G 361 H1* G 361 13.593 6.108 -20.183 927 H8 G 361 H8 G 361 15.094 3.316 -18.201 928 H1 G 361 H1 G 361 19.412 7.725 -20.150 929 1H2 G 361 1H2 G 361 18.527 9.006 -21.501 930 2H2 G 361 2H2 G 361 16.862 8.901 -22.028 931 1H5* A 362 1H5* A 362 11.844 2.521 -24.160 932 2H5* A 362 2H5* A 362 11.952 1.292 -25.419 933 H4* A 362 H4* A 362 12.522 3.301 -26.474 934 H3* A 362 H3* A 362 14.933 1.632 -25.849 935 H2* A 362 H2* A 362 16.351 3.244 -26.878 936 2HO* A 362 2HO* A 362 14.524 3.607 -28.427 937 H1* A 362 H1* A 362 15.306 5.383 -25.467 938 H8 A 362 H8 A 362 15.157 2.515 -23.142 939 1H6 A 362 1H6 A 362 21.169 3.565 -21.839 940 2H6 A 362 2H6 A 362 19.748 2.670 -21.349 941 H2 A 362 H2 A 362 20.060 6.032 -25.363 942 1H5* G 363 1H5* G 363 16.339 3.413 -29.147 943 2H5* G 363 2H5* G 363 17.130 2.142 -30.079 944 H4* G 363 H4* G 363 18.588 3.983 -29.060 945 H3* G 363 H3* G 363 19.172 1.040 -28.877 946 H2* G 363 H2* G 363 21.205 1.503 -27.753 947 2HO* G 363 2HO* G 363 20.488 4.216 -28.407 948 H1* G 363 H1* G 363 20.089 3.298 -25.952 949 H8 G 363 H8 G 363 17.465 0.775 -26.409 950 H1 G 363 H1 G 363 22.296 -1.369 -22.675 951 1H2 G 363 1H2 G 363 23.899 -0.080 -22.816 952 2H2 G 363 2H2 G 363 23.931 1.366 -23.799 953 1H5* A 364 1H5* A 364 22.509 -0.833 -30.473 954 2H5* A 364 2H5* A 364 22.774 -0.617 -28.744 955 H4* A 364 H4* A 364 24.904 -0.769 -29.773 956 H3* A 364 H3* A 364 24.173 1.688 -28.463 957 H2* A 364 H2* A 364 24.776 3.034 -30.246 958 2HO* A 364 2HO* A 364 27.238 1.880 -29.295 959 H1* A 364 H1* A 364 26.561 0.714 -31.169 960 H8 A 364 H8 A 364 23.840 2.299 -33.220 961 1H6 A 364 1H6 A 364 28.395 4.816 -36.666 962 2H6 A 364 2H6 A 364 26.665 4.575 -36.560 963 H2 A 364 H2 A 364 30.241 2.891 -33.111 964 1H5* G 365 1H5* G 365 26.434 -2.337 -24.976 965 2H5* G 365 2H5* G 365 25.974 -0.742 -24.380 966 H4* G 365 H4* G 365 28.162 -1.584 -23.532 967 H3* G 365 H3* G 365 27.572 1.031 -24.284 968 H2* G 365 H2* G 365 28.892 1.105 -26.208 969 2HO* G 365 2HO* G 365 30.061 2.529 -25.039 970 H1* G 365 H1* G 365 30.726 -0.910 -24.794 971 H8 G 365 H8 G 365 29.188 -1.253 -28.225 972 H1 G 365 H1 G 365 35.564 -0.148 -28.257 973 1H2 G 365 1H2 G 365 36.197 0.288 -26.343 974 2H2 G 365 2H2 G 365 35.155 0.345 -24.940 975 1H5* G 366 1H5* G 366 30.899 1.643 -21.527 976 2H5* G 366 2H5* G 366 30.375 1.940 -19.869 977 H4* G 366 H4* G 366 30.520 4.323 -20.180 978 H3* G 366 H3* G 366 29.939 4.182 -22.756 979 H2* G 366 H2* G 366 31.840 2.928 -23.469 980 2HO* G 366 2HO* G 366 31.984 4.565 -24.890 981 H1* G 366 H1* G 366 33.561 4.866 -21.845 982 H8 G 366 H8 G 366 35.675 4.180 -23.189 983 H1 G 366 H1 G 366 34.845 -2.015 -21.510 984 1H2 G 366 1H2 G 366 32.997 -2.248 -20.627 985 2H2 G 366 2H2 G 366 31.842 -0.957 -20.379 986 1H5* U 367 1H5* U 367 29.688 6.506 -24.828 987 2H5* U 367 2H5* U 367 29.803 8.022 -23.934 988 H4* U 367 H4* U 367 28.284 8.278 -25.784 989 H3* U 367 H3* U 367 27.040 8.351 -23.047 990 H2* U 367 H2* U 367 24.948 8.906 -24.023 991 2HO* U 367 2HO* U 367 25.196 9.087 -26.537 992 H1* U 367 H1* U 367 25.109 6.893 -25.963 993 H3 U 367 H3 U 367 21.937 5.102 -23.321 994 H5 U 367 H5 U 367 25.365 4.946 -20.922 995 H6 U 367 H6 U 367 26.536 6.185 -22.686 996 1H5* C 368 1H5* C 368 26.051 11.405 -24.897 997 2H5* C 368 2H5* C 368 26.065 13.093 -24.387 998 H4* C 368 H4* C 368 23.825 12.604 -24.870 999 H3* C 368 H3* C 368 24.300 12.522 -21.888 1000 H2* C 368 H2* C 368 21.967 12.308 -21.579 1001 2HO* C 368 2HO* C 368 21.133 12.394 -24.168 1002 H1* C 368 H1* C 368 21.747 10.458 -23.757 1003 1H4 C 368 1H4 C 368 21.219 6.854 -18.514 1004 2H4 C 368 2H4 C 368 22.952 6.941 -18.291 1005 H5 C 368 H5 C 368 24.386 8.259 -19.626 1006 H6 C 368 H6 C 368 24.512 9.833 -21.524 1007 1H5* C 369 1H5* C 369 22.150 15.701 -23.147 1008 2H5* C 369 2H5* C 369 22.090 17.361 -22.557 1009 H4* C 369 H4* C 369 19.998 16.670 -21.990 1010 H3* C 369 H3* C 369 21.740 15.996 -19.623 1011 H2* C 369 H2* C 369 19.811 15.261 -18.455 1012 2HO* C 369 2HO* C 369 17.834 15.619 -20.180 1013 H1* C 369 H1* C 369 18.842 13.808 -20.682 1014 1H4 C 369 1H4 C 369 21.657 9.199 -17.329 1015 2H4 C 369 2H4 C 369 23.196 10.027 -17.418 1016 H5 C 369 H5 C 369 23.502 12.127 -18.454 1017 H6 C 369 H6 C 369 22.396 13.969 -19.670 1018 1H5* C 370 1H5* C 370 18.798 18.621 -18.943 1019 2H5* C 370 2H5* C 370 18.643 19.897 -17.736 1020 H4* C 370 H4* C 370 17.045 18.311 -17.125 1021 H3* C 370 H3* C 370 19.521 17.984 -15.433 1022 H2* C 370 H2* C 370 18.358 16.384 -14.122 1023 2HO* C 370 2HO* C 370 16.408 17.700 -14.305 1024 H1* C 370 H1* C 370 17.326 15.084 -16.431 1025 1H4 C 370 1H4 C 370 22.186 11.340 -14.718 1026 2H4 C 370 2H4 C 370 23.326 12.575 -15.205 1027 H5 C 370 H5 C 370 22.698 14.717 -15.972 1028 H6 C 370 H6 C 370 20.801 16.220 -16.466 1029 1H5* A 371 1H5* A 371 16.738 20.597 -12.446 1030 2H5* A 371 2H5* A 371 17.859 20.900 -11.119 1031 H4* A 371 H4* A 371 15.795 19.439 -10.678 1032 H3* A 371 H3* A 371 18.593 18.806 -9.797 1033 H2* A 371 H2* A 371 17.816 16.846 -8.690 1034 2HO* A 371 2HO* A 371 15.261 17.878 -9.534 1035 H1* A 371 H1* A 371 16.400 15.925 -10.900 1036 H8 A 371 H8 A 371 19.402 17.523 -12.306 1037 1H6 A 371 1H6 A 371 22.551 12.300 -10.981 1038 2H6 A 371 2H6 A 371 22.626 13.820 -11.842 1039 H2 A 371 H2 A 371 18.594 12.087 -8.969 1040 1H5* G 372 1H5* G 372 16.032 18.347 -6.282 1041 2H5* G 372 2H5* G 372 16.746 19.371 -5.036 1042 H4* G 372 H4* G 372 16.331 17.278 -4.031 1043 H3* G 372 H3* G 372 19.225 17.778 -4.620 1044 H2* G 372 H2* G 372 19.826 15.686 -3.659 1045 2HO* G 372 2HO* G 372 18.126 15.972 -2.046 1046 H1* G 372 H1* G 372 17.861 14.293 -5.116 1047 H8 G 372 H8 G 372 19.334 16.781 -7.402 1048 H1 G 372 H1 G 372 23.128 11.601 -6.589 1049 1H2 G 372 1H2 G 372 22.429 10.476 -5.010 1050 2H2 G 372 2H2 G 372 21.024 10.877 -4.048 1051 1H5* G 373 1H5* G 373 18.822 17.195 -0.622 1052 2H5* G 373 2H5* G 373 19.681 18.146 0.590 1053 H4* G 373 H4* G 373 20.369 15.851 0.744 1054 H3* G 373 H3* G 373 22.447 17.754 -0.310 1055 H2* G 373 H2* G 373 24.049 15.992 -0.285 1056 2HO* G 373 2HO* G 373 23.628 14.615 1.338 1057 H1* G 373 H1* G 373 22.345 14.205 -1.608 1058 H8 G 373 H8 G 373 21.744 17.446 -3.214 1059 H1 G 373 H1 G 373 27.335 14.784 -5.095 1060 1H2 G 373 1H2 G 373 27.799 13.206 -3.850 1061 2H2 G 373 2H2 G 373 26.820 12.682 -2.500 1062 1H5* G 374 1H5* G 374 23.250 15.945 3.226 1063 2H5* G 374 2H5* G 374 24.306 16.445 4.546 1064 H4* G 374 H4* G 374 25.269 14.504 3.616 1065 H3* G 374 H3* G 374 26.722 17.013 2.801 1066 H2* G 374 H2* G 374 28.383 15.677 1.741 1067 2HO* G 374 2HO* G 374 28.158 14.095 3.489 1068 H1* G 374 H1* G 374 26.477 14.105 0.404 1069 H8 G 374 H8 G 374 25.189 17.539 0.267 1070 H1 G 374 H1 G 374 30.026 16.567 -3.922 1071 1H2 G 374 1H2 G 374 30.961 14.780 -3.492 1072 2H2 G 374 2H2 G 374 30.503 13.705 -2.189 1073 1H5* U 375 1H5* U 375 29.817 14.914 4.233 1074 2H5* U 375 2H5* U 375 30.732 15.813 5.445 1075 H4* U 375 H4* U 375 32.249 15.227 3.729 1076 H3* U 375 H3* U 375 31.473 18.130 3.694 1077 H2* U 375 H2* U 375 32.933 18.528 1.888 1078 2HO* U 375 2HO* U 375 34.675 17.175 1.708 1079 H1* U 375 H1* U 375 32.169 16.049 0.620 1080 H3 U 375 H3 U 375 31.110 19.015 -2.620 1081 H5 U 375 H5 U 375 28.368 19.870 0.428 1082 H6 U 375 H6 U 375 29.584 18.273 1.835 1083 1H5* U 376 1H5* U 376 35.852 18.000 4.192 1084 2H5* U 376 2H5* U 376 36.431 19.510 4.896 1085 H4* U 376 H4* U 376 37.242 19.040 2.581 1086 H3* U 376 H3* U 376 35.739 21.585 3.185 1087 H2* U 376 H2* U 376 36.239 22.354 1.005 1088 2HO* U 376 2HO* U 376 38.404 21.454 1.219 1089 H1* U 376 H1* U 376 35.658 19.800 -0.145 1090 H3 U 376 H3 U 376 32.778 22.907 -1.944 1091 H5 U 376 H5 U 376 31.045 21.725 1.681 1092 H6 U 376 H6 U 376 33.137 20.550 2.185 1093 2H ALA 1 HN ALA 1 78.497 30.754 26.576 1094 HA ALA 1 HA ALA 1 76.921 31.105 25.063 1095 1HB ALA 1 1HB ALA 1 77.500 32.070 22.930 1096 2HB ALA 1 2HB ALA 1 78.664 32.686 24.127 1097 3HB ALA 1 3HB ALA 1 79.142 31.390 23.005 1098 H THR 2 HN THR 2 75.697 29.987 23.359 1099 HA THR 2 HA THR 2 76.811 27.729 22.050 1100 HB THR 2 HB THR 2 76.692 26.869 24.419 1101 HG1 THR 2 HG1 THR 2 75.094 25.095 23.670 1102 1HG2 THR 2 1HG2 THR 2 73.766 27.623 24.021 1103 2HG2 THR 2 2HG2 THR 2 74.227 26.280 25.093 1104 3HG2 THR 2 3HG2 THR 2 74.800 27.930 25.436 1105 H VAL 3 HN VAL 3 75.335 26.746 20.567 1106 HA VAL 3 HA VAL 3 72.630 27.548 20.480 1107 HB VAL 3 HB VAL 3 73.737 29.677 19.848 1108 1HG1 VAL 3 1HG1 VAL 3 74.825 27.979 17.590 1109 2HG1 VAL 3 2HG1 VAL 3 74.698 29.751 17.485 1110 3HG1 VAL 3 3HG1 VAL 3 75.719 29.005 18.738 1111 1HG2 VAL 3 1HG2 VAL 3 72.355 28.709 17.371 1112 2HG2 VAL 3 2HG2 VAL 3 71.467 28.682 18.913 1113 3HG2 VAL 3 3HG2 VAL 3 72.128 30.214 18.294 1114 H VAL 4 HN VAL 4 71.518 26.572 18.592 1115 HA VAL 4 HA VAL 4 73.121 24.806 16.964 1116 HB VAL 4 HB VAL 4 72.768 23.572 19.083 1117 1HG1 VAL 4 1HG1 VAL 4 70.477 24.660 19.488 1118 2HG1 VAL 4 2HG1 VAL 4 69.833 23.432 18.372 1119 3HG1 VAL 4 3HG1 VAL 4 70.645 22.931 19.875 1120 1HG2 VAL 4 1HG2 VAL 4 71.254 22.390 16.730 1121 2HG2 VAL 4 2HG2 VAL 4 73.027 22.419 16.897 1122 3HG2 VAL 4 3HG2 VAL 4 72.038 21.498 18.056 1123 H SER 5 HN SER 5 71.844 23.888 15.172 1124 HA SER 5 HA SER 5 69.150 24.542 14.884 1125 1HB SER 5 2HB SER 5 70.319 26.838 14.612 1126 2HB SER 5 3HB SER 5 70.960 26.218 13.103 1127 HG SER 5 HG SER 5 68.728 27.442 13.256 1128 H GLY 6 HN GLY 6 68.289 23.680 12.838 1129 1HA GLY 6 1HA GLY 6 70.209 22.404 11.043 1130 2HA GLY 6 2HA GLY 6 69.140 21.347 11.945 1131 H GLN 7 HN GLN 7 68.451 20.796 9.629 1132 HA GLN 7 HA GLN 7 66.295 22.619 8.919 1133 1HB GLN 7 2HB GLN 7 68.552 21.679 7.245 1134 2HB GLN 7 3HB GLN 7 66.984 21.456 6.494 1135 1HG GLN 7 2HG GLN 7 66.437 23.858 6.900 1136 2HG GLN 7 3HG GLN 7 67.989 24.087 7.682 1137 1HE2 GLN 7 1HE2 GLN 7 68.718 25.589 6.244 1138 2HE2 GLN 7 2HE2 GLN 7 69.171 25.236 4.610 1139 H LYS 8 HN LYS 8 64.451 21.547 7.804 1140 HA LYS 8 HA LYS 8 64.447 18.642 8.177 1141 1HB LYS 8 2HB LYS 8 62.255 18.721 9.201 1142 2HB LYS 8 3HB LYS 8 63.388 19.665 10.147 1143 1HG LYS 8 2HG LYS 8 61.916 21.163 8.011 1144 2HG LYS 8 3HG LYS 8 60.940 20.592 9.349 1145 1HD LYS 8 2HD LYS 8 62.181 21.841 10.958 1146 2HD LYS 8 3HD LYS 8 63.552 22.042 9.885 1147 1HE LYS 8 2HE LYS 8 62.610 23.839 8.784 1148 2HE LYS 8 3HE LYS 8 60.991 23.169 8.848 1149 1HZ LYS 8 1HZ LYS 8 60.703 24.679 10.428 1150 2HZ LYS 8 2HZ LYS 8 61.512 23.664 11.419 1151 3HZ LYS 8 3HZ LYS 8 62.298 24.901 10.698 1152 H GLN 9 HN GLN 9 62.680 17.571 6.893 1153 HA GLN 9 HA GLN 9 61.299 19.019 4.964 1154 1HB GLN 9 2HB GLN 9 64.059 18.337 4.274 1155 2HB GLN 9 3HB GLN 9 62.936 17.565 3.172 1156 1HG GLN 9 2HG GLN 9 62.099 19.597 2.365 1157 2HG GLN 9 3HG GLN 9 62.439 20.457 3.854 1158 1HE2 GLN 9 1HE2 GLN 9 63.082 21.170 1.124 1159 2HE2 GLN 9 2HE2 GLN 9 64.799 21.366 1.017 1160 H ASP 10 HN ASP 10 60.044 17.554 3.507 1161 HA ASP 10 HA ASP 10 60.336 14.803 3.651 1162 1HB ASP 10 2HB ASP 10 58.997 15.968 5.919 1163 2HB ASP 10 3HB ASP 10 57.775 15.150 4.964 1164 H ARG 11 HN ARG 11 58.669 13.763 2.277 1165 HA ARG 11 HA ARG 11 56.610 15.501 1.283 1166 1HB ARG 11 2HB ARG 11 58.962 14.529 -0.344 1167 2HB ARG 11 3HB ARG 11 57.399 14.572 -1.133 1168 1HG ARG 11 2HG ARG 11 57.622 16.804 -1.446 1169 2HG ARG 11 3HG ARG 11 57.641 17.043 0.290 1170 1HD ARG 11 2HD ARG 11 59.991 17.080 0.407 1171 2HD ARG 11 3HD ARG 11 60.188 16.103 -1.035 1172 HE ARG 11 HE ARG 11 59.766 19.018 -0.932 1173 1HH1 ARG 11 2HH2 ARG 11 59.763 16.127 -2.937 1174 2HH1 ARG 11 1HH2 ARG 11 59.951 17.001 -4.421 1175 1HH2 ARG 11 2HH1 ARG 11 60.016 20.171 -2.890 1176 2HH2 ARG 11 1HH1 ARG 11 60.096 19.317 -4.394 1177 H GLN 12 HN GLN 12 54.742 14.310 0.812 1178 HA GLN 12 HA GLN 12 54.928 11.614 -0.010 1179 1HB GLN 12 2HB GLN 12 53.794 10.589 1.931 1180 2HB GLN 12 3HB GLN 12 55.339 11.271 2.398 1181 1HG GLN 12 2HG GLN 12 53.191 13.263 2.626 1182 2HG GLN 12 3HG GLN 12 52.824 11.828 3.564 1183 1HE2 GLN 12 1HE2 GLN 12 55.087 14.437 3.026 1184 2HE2 GLN 12 2HE2 GLN 12 55.932 14.348 4.535 1185 H GLY 13 HN GLY 13 52.752 10.714 -0.534 1186 1HA GLY 13 1HA GLY 13 50.381 12.189 -0.161 1187 2HA GLY 13 2HA GLY 13 51.074 12.609 -1.715 1188 H GLY 14 HN GLY 14 48.617 10.945 -0.805 1189 1HA GLY 14 1HA GLY 14 47.634 9.412 -2.351 1190 2HA GLY 14 2HA GLY 14 49.192 8.637 -2.553 1191 H GLU 15 HN GLU 15 47.215 9.643 0.336 1192 HA GLU 15 HA GLU 15 46.491 7.096 1.052 1193 1HB GLU 15 2HB GLU 15 48.031 6.604 2.932 1194 2HB GLU 15 3HB GLU 15 48.878 6.629 1.400 1195 1HG GLU 15 2HG GLU 15 49.134 9.264 2.123 1196 2HG GLU 15 3HG GLU 15 49.073 8.521 3.709 1197 H ARG 16 HN ARG 16 45.525 7.048 3.308 1198 HA ARG 16 HA ARG 16 44.172 9.430 3.742 1199 1HB ARG 16 2HB ARG 16 44.450 6.825 5.278 1200 2HB ARG 16 3HB ARG 16 43.571 8.159 5.998 1201 1HG ARG 16 2HG ARG 16 41.773 7.335 4.856 1202 2HG ARG 16 3HG ARG 16 42.476 8.142 3.468 1203 1HD ARG 16 2HD ARG 16 42.446 6.063 2.506 1204 2HD ARG 16 3HD ARG 16 43.899 5.780 3.444 1205 HE ARG 16 HE ARG 16 41.381 5.228 4.876 1206 1HH1 ARG 16 2HH2 ARG 16 43.983 3.911 2.907 1207 2HH1 ARG 16 1HH2 ARG 16 43.707 2.277 3.409 1208 1HH2 ARG 16 2HH1 ARG 16 41.017 3.072 5.539 1209 2HH2 ARG 16 1HH1 ARG 16 42.009 1.796 4.916 1210 H ARG 17 HN ARG 17 44.076 10.491 6.059 1211 HA ARG 17 HA ARG 17 45.022 11.629 7.632 1212 1HB ARG 17 2HB ARG 17 46.731 9.180 7.573 1213 2HB ARG 17 3HB ARG 17 47.484 10.566 8.337 1214 1HG ARG 17 2HG ARG 17 46.134 10.424 10.168 1215 2HG ARG 17 3HG ARG 17 44.687 10.276 9.190 1216 1HD ARG 17 2HD ARG 17 46.399 7.853 9.108 1217 2HD ARG 17 3HD ARG 17 45.820 8.233 10.718 1218 HE ARG 17 HE ARG 17 44.175 7.450 8.398 1219 1HH1 ARG 17 2HH2 ARG 17 44.217 8.793 11.650 1220 2HH1 ARG 17 1HH2 ARG 17 42.552 8.431 11.959 1221 1HH2 ARG 17 2HH1 ARG 17 41.977 6.973 8.805 1222 2HH2 ARG 17 1HH1 ARG 17 41.269 7.390 10.329 1223 H ARG 18 HN ARG 18 46.032 13.620 7.434 1224 HA ARG 18 HA ARG 18 47.793 13.931 5.207 1225 1HB ARG 18 2HB ARG 18 46.476 15.839 7.180 1226 2HB ARG 18 3HB ARG 18 47.711 16.415 6.079 1227 1HG ARG 18 2HG ARG 18 46.293 16.374 4.293 1228 2HG ARG 18 3HG ARG 18 45.714 14.767 4.683 1229 1HD ARG 18 2HD ARG 18 44.560 16.263 6.714 1230 2HD ARG 18 3HD ARG 18 44.556 17.416 5.395 1231 HE ARG 18 HE ARG 18 43.045 16.043 4.191 1232 1HH1 ARG 18 2HH2 ARG 18 44.177 14.404 7.092 1233 2HH1 ARG 18 1HH2 ARG 18 42.986 13.149 7.001 1234 1HH2 ARG 18 2HH1 ARG 18 41.474 14.387 4.071 1235 2HH2 ARG 18 1HH1 ARG 18 41.439 13.139 5.272 1236 H SER 19 HN SER 19 48.901 12.282 7.270 1237 HA SER 19 HA SER 19 50.791 11.996 8.306 1238 1HB SER 19 2HB SER 19 51.637 13.646 6.460 1239 2HB SER 19 3HB SER 19 51.671 14.845 7.738 1240 HG SER 19 HG SER 19 52.890 12.383 8.389 1241 H GLN 20 HN GLN 20 49.203 15.175 8.849 1242 HA GLN 20 HA GLN 20 48.398 14.945 11.289 1243 1HB GLN 20 2HB GLN 20 51.362 14.983 11.403 1244 2HB GLN 20 3HB GLN 20 50.600 16.129 12.488 1245 1HG GLN 20 2HG GLN 20 49.128 13.646 12.639 1246 2HG GLN 20 3HG GLN 20 50.833 13.272 12.792 1247 1HE2 GLN 20 1HE2 GLN 20 48.139 13.996 14.462 1248 2HE2 GLN 20 2HE2 GLN 20 48.793 14.705 15.900 1249 H LEU 21 HN LEU 21 48.288 16.523 8.805 1250 HA LEU 21 HA LEU 21 49.162 19.039 8.816 1251 1HB LEU 21 2HB LEU 21 47.169 17.615 7.543 1252 2HB LEU 21 3HB LEU 21 46.286 18.924 8.303 1253 HG LEU 21 HG LEU 21 48.563 19.153 6.323 1254 1HD1 LEU 21 1HD1 LEU 21 46.371 18.606 5.366 1255 2HD1 LEU 21 2HD1 LEU 21 45.669 20.037 6.159 1256 3HD1 LEU 21 3HD1 LEU 21 46.910 20.236 4.899 1257 1HD2 LEU 21 1HD2 LEU 21 47.657 21.058 8.344 1258 2HD2 LEU 21 2HD2 LEU 21 49.109 21.074 7.315 1259 3HD2 LEU 21 3HD2 LEU 21 47.568 21.707 6.689 1260 H ASP 22 HN ASP 22 49.527 20.270 10.606 1261 HA ASP 22 HA ASP 22 47.626 20.253 12.719 1262 1HB ASP 22 2HB ASP 22 50.364 20.902 12.403 1263 2HB ASP 22 3HB ASP 22 49.599 22.431 12.788 1264 H ARG 23 HN ARG 23 46.370 22.158 13.407 1265 HA ARG 23 HA ARG 23 45.363 23.621 11.268 1266 1HB ARG 23 2HB ARG 23 44.175 23.014 13.461 1267 2HB ARG 23 3HB ARG 23 45.097 24.283 14.243 1268 1HG ARG 23 2HG ARG 23 42.955 25.233 13.630 1269 2HG ARG 23 3HG ARG 23 44.153 25.933 12.562 1270 1HD ARG 23 2HD ARG 23 42.347 25.317 11.120 1271 2HD ARG 23 3HD ARG 23 43.552 24.069 10.874 1272 HE ARG 23 HE ARG 23 41.887 23.187 12.994 1273 1HH1 ARG 23 2HH2 ARG 23 41.603 23.908 9.562 1274 2HH1 ARG 23 1HH2 ARG 23 40.310 22.785 9.302 1275 1HH2 ARG 23 2HH1 ARG 23 40.181 21.705 12.652 1276 2HH2 ARG 23 1HH1 ARG 23 39.496 21.524 11.071 1277 H ASP 24 HN ASP 24 48.297 23.930 12.886 1278 HA ASP 24 HA ASP 24 48.370 26.777 12.265 1279 1HB ASP 24 2HB ASP 24 48.605 25.751 14.798 1280 2HB ASP 24 3HB ASP 24 50.282 25.685 14.296 1281 H GLN 25 HN GLN 25 49.023 24.282 10.672 1282 HA GLN 25 HA GLN 25 51.886 24.767 10.378 1283 1HB GLN 25 2HB GLN 25 50.535 22.311 10.918 1284 2HB GLN 25 3HB GLN 25 51.078 22.213 9.254 1285 1HG GLN 25 2HG GLN 25 53.162 21.745 10.009 1286 2HG GLN 25 3HG GLN 25 53.254 23.369 10.661 1287 1HE2 GLN 25 1HE2 GLN 25 52.698 20.017 11.308 1288 2HE2 GLN 25 2HE2 GLN 25 52.688 20.081 13.039 1289 H CYS 26 HN CYS 26 52.607 23.993 8.012 1290 HA CYS 26 HA CYS 26 50.733 25.316 6.215 1291 1HB CYS 26 2HB CYS 26 53.006 26.264 6.353 1292 2HB CYS 26 3HB CYS 26 53.692 24.728 5.859 1293 H ALA 27 HN ALA 27 49.759 24.162 4.540 1294 HA ALA 27 HA ALA 27 50.283 21.299 4.515 1295 1HB ALA 27 1HB ALA 27 47.976 21.893 4.753 1296 2HB ALA 27 2HB ALA 27 48.073 23.077 3.428 1297 3HB ALA 27 3HB ALA 27 48.177 21.336 3.075 1298 H TYR 28 HN TYR 28 52.211 23.328 3.408 1299 HA TYR 28 HA TYR 28 52.216 22.296 0.656 1300 1HB TYR 28 2HB TYR 28 51.539 24.801 1.075 1301 2HB TYR 28 3HB TYR 28 53.168 25.040 1.676 1302 HD1 TYR 28 HD1 TYR 28 51.092 24.559 -1.297 1303 HD2 TYR 28 HD2 TYR 28 55.105 24.927 0.139 1304 HE1 TYR 28 HE1 TYR 28 51.907 25.001 -3.665 1305 HE2 TYR 28 HE2 TYR 28 55.907 25.368 -2.232 1306 HH TYR 28 HH TYR 28 54.675 24.583 -4.723 1307 H CYS 29 HN CYS 29 54.235 24.035 3.136 1308 HA CYS 29 HA CYS 29 56.488 22.429 2.194 1309 1HB CYS 29 2HB CYS 29 57.927 24.120 3.246 1310 2HB CYS 29 3HB CYS 29 56.862 24.833 2.050 1311 H LYS 30 HN LYS 30 54.130 22.852 4.693 1312 HA LYS 30 HA LYS 30 53.777 21.448 6.426 1313 1HB LYS 30 2HB LYS 30 56.702 20.666 6.391 1314 2HB LYS 30 3HB LYS 30 55.391 19.859 7.226 1315 1HG LYS 30 2HG LYS 30 55.108 20.231 4.250 1316 2HG LYS 30 3HG LYS 30 56.276 19.047 4.802 1317 1HD LYS 30 2HD LYS 30 54.646 17.573 5.392 1318 2HD LYS 30 3HD LYS 30 53.773 18.791 6.301 1319 1HE LYS 30 2HE LYS 30 52.316 19.211 4.583 1320 2HE LYS 30 3HE LYS 30 53.586 19.202 3.375 1321 1HZ LYS 30 1HZ LYS 30 52.579 16.744 4.621 1322 2HZ LYS 30 2HZ LYS 30 51.959 17.356 3.240 1323 3HZ LYS 30 3HZ LYS 30 53.519 16.872 3.291 1324 H GLU 31 HN GLU 31 56.338 23.817 6.090 1325 HA GLU 31 HA GLU 31 57.230 24.250 8.545 1326 1HB GLU 31 2HB GLU 31 56.241 26.343 6.562 1327 2HB GLU 31 3HB GLU 31 57.231 26.721 7.957 1328 1HG GLU 31 2HG GLU 31 59.072 25.365 7.130 1329 2HG GLU 31 3HG GLU 31 58.075 24.662 5.874 1330 H LYS 32 HN LYS 32 56.571 25.307 10.486 1331 HA LYS 32 HA LYS 32 53.662 25.487 10.740 1332 1HB LYS 32 2HB LYS 32 54.025 25.177 13.121 1333 2HB LYS 32 3HB LYS 32 54.798 23.892 12.214 1334 1HG LYS 32 2HG LYS 32 56.988 24.812 12.544 1335 2HG LYS 32 3HG LYS 32 56.355 26.376 13.018 1336 1HD LYS 32 2HD LYS 32 56.345 25.736 15.191 1337 2HD LYS 32 3HD LYS 32 55.234 24.433 14.819 1338 1HE LYS 32 2HE LYS 32 58.245 24.204 14.375 1339 2HE LYS 32 3HE LYS 32 57.473 23.735 15.877 1340 1HZ LYS 32 1HZ LYS 32 56.131 22.634 13.657 1341 2HZ LYS 32 2HZ LYS 32 57.708 22.215 13.639 1342 3HZ LYS 32 3HZ LYS 32 56.788 21.874 14.944 1343 H GLY 33 HN GLY 33 52.635 27.381 11.327 1344 1HA GLY 33 1HA GLY 33 53.021 29.517 12.579 1345 2HA GLY 33 2HA GLY 33 54.391 29.754 11.513 1346 H HIS 34 HN HIS 34 53.448 28.917 9.018 1347 HA HIS 34 HA HIS 34 51.237 30.797 8.606 1348 1HB HIS 34 2HB HIS 34 52.164 31.327 6.464 1349 2HB HIS 34 3HB HIS 34 53.414 31.522 7.677 1350 HD1 HIS 34 HD1 HIS 34 55.488 29.990 7.537 1351 HD2 HIS 34 HD2 HIS 34 52.543 29.114 4.680 1352 HE1 HIS 34 HE1 HIS 34 56.561 28.380 5.874 1353 H TRP 35 HN TRP 35 50.014 30.251 6.439 1354 HA TRP 35 HA TRP 35 49.471 27.368 6.537 1355 1HB TRP 35 2HB TRP 35 47.772 29.785 6.140 1356 2HB TRP 35 3HB TRP 35 47.323 28.318 5.293 1357 HD1 TRP 35 HD1 TRP 35 48.639 28.611 8.965 1358 HE1 TRP 35 HE1 TRP 35 46.929 27.513 10.648 1359 HE3 TRP 35 HE3 TRP 35 45.115 27.491 5.474 1360 HZ2 TRP 35 HZ2 TRP 35 44.354 26.325 10.338 1361 HZ3 TRP 35 HZ3 TRP 35 43.032 26.363 6.248 1362 HH2 TRP 35 HH2 TRP 35 42.623 25.781 8.587 1363 H ALA 36 HN ALA 36 48.730 26.468 4.324 1364 HA ALA 36 HA ALA 36 50.778 26.828 2.478 1365 1HB ALA 36 1HB ALA 36 49.114 24.869 2.864 1366 2HB ALA 36 2HB ALA 36 48.024 25.775 1.788 1367 3HB ALA 36 3HB ALA 36 49.612 25.231 1.195 1368 H LYS 37 HN LYS 37 47.545 28.339 2.822 1369 HA LYS 37 HA LYS 37 47.603 29.578 0.275 1370 1HB LYS 37 2HB LYS 37 45.992 30.357 2.721 1371 2HB LYS 37 3HB LYS 37 45.649 30.774 1.054 1372 1HG LYS 37 2HG LYS 37 45.916 27.857 1.834 1373 2HG LYS 37 3HG LYS 37 44.425 28.709 2.184 1374 1HD LYS 37 2HD LYS 37 44.279 29.381 -0.248 1375 2HD LYS 37 3HD LYS 37 45.720 28.438 -0.571 1376 1HE LYS 37 2HE LYS 37 43.760 26.842 0.914 1377 2HE LYS 37 3HE LYS 37 43.039 27.504 -0.540 1378 1HZ LYS 37 1HZ LYS 37 45.282 25.682 -0.292 1379 2HZ LYS 37 2HZ LYS 37 44.027 25.647 -1.336 1380 3HZ LYS 37 3HZ LYS 37 45.257 26.694 -1.574 1381 H ASP 38 HN ASP 38 49.563 29.981 2.968 1382 HA ASP 38 HA ASP 38 50.103 32.716 2.130 1383 1HB ASP 38 2HB ASP 38 49.232 31.815 4.717 1384 2HB ASP 38 3HB ASP 38 50.915 32.272 4.882 1385 H CYS 39 HN CYS 39 51.189 29.852 1.592 1386 HA CYS 39 HA CYS 39 53.634 29.610 2.948 1387 1HB CYS 39 2HB CYS 39 52.394 27.750 1.793 1388 2HB CYS 39 3HB CYS 39 52.889 28.428 0.255 1389 HA PRO 40 HA PRO 40 55.815 32.623 0.644 1390 1HB PRO 40 2HB PRO 40 58.326 32.157 1.613 1391 2HB PRO 40 3HB PRO 40 57.145 33.146 2.448 1392 1HG PRO 40 2HG PRO 40 58.032 30.396 3.072 1393 2HG PRO 40 3HG PRO 40 57.197 31.540 4.104 1394 1HD PRO 40 2HD PRO 40 56.049 29.274 2.774 1395 2HD PRO 40 3HD PRO 40 55.194 30.483 3.710 1396 H LYS 41 HN LYS 41 55.777 29.437 0.065 1397 HA LYS 41 HA LYS 41 57.939 29.526 -1.874 1398 1HB LYS 41 2HB LYS 41 56.299 27.388 -0.579 1399 2HB LYS 41 3HB LYS 41 56.956 27.063 -2.170 1400 1HG LYS 41 2HG LYS 41 59.110 26.939 -1.397 1401 2HG LYS 41 3HG LYS 41 58.918 28.329 -0.349 1402 1HD LYS 41 2HD LYS 41 58.719 26.959 1.442 1403 2HD LYS 41 3HD LYS 41 57.273 26.253 0.747 1404 1HE LYS 41 2HE LYS 41 58.366 24.343 0.153 1405 2HE LYS 41 3HE LYS 41 59.689 25.231 -0.577 1406 1HZ LYS 41 1HZ LYS 41 60.236 23.880 1.424 1407 2HZ LYS 41 2HZ LYS 41 60.733 25.435 1.485 1408 3HZ LYS 41 3HZ LYS 41 59.416 24.964 2.329 1409 H LYS 42 HN LYS 42 54.501 30.023 -1.612 1410 HA LYS 42 HA LYS 42 53.559 29.187 -4.031 1411 1HB LYS 42 2HB LYS 42 52.854 31.375 -2.125 1412 2HB LYS 42 3HB LYS 42 52.129 31.433 -3.719 1413 1HG LYS 42 2HG LYS 42 51.777 28.773 -3.132 1414 2HG LYS 42 3HG LYS 42 51.721 29.450 -1.517 1415 1HD LYS 42 2HD LYS 42 50.089 31.234 -2.706 1416 2HD LYS 42 3HD LYS 42 49.858 29.919 -3.841 1417 1HE LYS 42 2HE LYS 42 49.585 28.515 -1.527 1418 2HE LYS 42 3HE LYS 42 49.079 30.087 -0.943 1419 1HZ LYS 42 1HZ LYS 42 47.278 28.737 -1.872 1420 2HZ LYS 42 2HZ LYS 42 47.429 30.177 -2.624 1421 3HZ LYS 42 3HZ LYS 42 47.971 28.817 -3.348 1422 HA PRO 43 HA PRO 43 56.150 31.637 -6.610 1423 1HB PRO 43 2HB PRO 43 55.820 30.149 -8.878 1424 2HB PRO 43 3HB PRO 43 57.058 29.813 -7.683 1425 1HG PRO 43 2HG PRO 43 54.525 28.373 -8.183 1426 2HG PRO 43 3HG PRO 43 55.945 27.827 -7.314 1427 1HD PRO 43 2HD PRO 43 53.474 28.729 -6.170 1428 2HD PRO 43 3HD PRO 43 54.933 28.294 -5.303 1429 H ARG 44 HN ARG 44 54.664 33.409 -6.256 1430 HA ARG 44 HA ARG 44 53.612 34.178 -8.707 1431 1HB ARG 44 2HB ARG 44 51.190 34.210 -8.170 1432 2HB ARG 44 3HB ARG 44 51.798 32.566 -8.133 1433 1HG ARG 44 2HG ARG 44 51.313 32.328 -5.920 1434 2HG ARG 44 3HG ARG 44 52.082 33.848 -5.507 1435 1HD ARG 44 2HD ARG 44 49.837 34.284 -4.951 1436 2HD ARG 44 3HD ARG 44 49.937 34.960 -6.564 1437 HE ARG 44 HE ARG 44 48.613 33.180 -7.399 1438 1HH1 ARG 44 2HH2 ARG 44 49.475 32.619 -4.034 1439 2HH1 ARG 44 1HH2 ARG 44 48.345 31.325 -3.826 1440 1HH2 ARG 44 2HH1 ARG 44 47.120 31.471 -7.125 1441 2HH2 ARG 44 1HH1 ARG 44 46.995 30.668 -5.597 1442 H GLY 45 HN GLY 45 55.352 35.595 -7.374 1443 1HA GLY 45 1HA GLY 45 55.408 37.875 -6.850 1444 2HA GLY 45 2HA GLY 45 53.807 37.768 -6.146 1445 HA PRO 46 HA PRO 46 54.298 39.403 -5.132 1446 1HB PRO 46 2HB PRO 46 55.540 41.356 -3.679 1447 2HB PRO 46 3HB PRO 46 54.083 40.542 -3.143 1448 1HG PRO 46 2HG PRO 46 56.863 40.181 -2.201 1449 2HG PRO 46 3HG PRO 46 55.368 39.714 -1.415 1450 1HD PRO 46 2HD PRO 46 57.192 37.988 -2.801 1451 2HD PRO 46 3HD PRO 46 55.642 37.541 -2.116 1452 H ARG 47 HN ARG 47 57.716 39.895 -4.352 1453 HA ARG 47 HA ARG 47 58.542 39.752 -6.950 1454 1HB ARG 47 2HB ARG 47 57.051 41.981 -6.881 1455 2HB ARG 47 3HB ARG 47 58.498 42.682 -6.184 1456 1HG ARG 47 2HG ARG 47 59.833 42.037 -8.136 1457 2HG ARG 47 3HG ARG 47 58.501 41.113 -8.802 1458 1HD ARG 47 2HD ARG 47 57.235 43.071 -9.322 1459 2HD ARG 47 3HD ARG 47 58.156 44.075 -8.221 1460 HE ARG 47 HE ARG 47 59.871 44.284 -9.840 1461 1HH1 ARG 47 2HH2 ARG 47 57.485 41.911 -10.868 1462 2HH1 ARG 47 1HH2 ARG 47 58.086 41.821 -12.490 1463 1HH2 ARG 47 2HH1 ARG 47 60.665 44.166 -11.979 1464 2HH2 ARG 47 1HH1 ARG 47 59.908 43.112 -13.126 1465 H GLY 48 HN GLY 48 60.872 40.600 -7.180 1466 1HA GLY 48 1HA GLY 48 62.343 41.782 -5.182 1467 2HA GLY 48 2HA GLY 48 62.308 40.080 -4.768 1468 HA PRO 49 HA PRO 49 64.518 40.538 -8.955 1469 1HB PRO 49 2HB PRO 49 65.226 43.038 -9.802 1470 2HB PRO 49 3HB PRO 49 63.782 42.212 -10.355 1471 1HG PRO 49 2HG PRO 49 64.019 44.443 -8.430 1472 2HG PRO 49 3HG PRO 49 62.603 43.895 -9.307 1473 1HD PRO 49 2HD PRO 49 63.203 43.414 -6.544 1474 2HD PRO 49 3HD PRO 49 61.849 42.770 -7.450 1475 H ARG 50 HN ARG 50 66.831 40.964 -9.714 1476 HA ARG 50 HA ARG 50 68.362 41.809 -7.407 1477 1HB ARG 50 2HB ARG 50 68.023 39.142 -7.849 1478 2HB ARG 50 3HB ARG 50 69.379 39.415 -8.925 1479 1HG ARG 50 2HG ARG 50 70.191 40.796 -6.661 1480 2HG ARG 50 3HG ARG 50 69.281 39.476 -5.953 1481 1HD ARG 50 2HD ARG 50 70.640 37.910 -7.529 1482 2HD ARG 50 3HD ARG 50 71.686 39.287 -7.814 1483 HE ARG 50 HE ARG 50 71.254 38.836 -4.971 1484 1HH1 ARG 50 2HH2 ARG 50 73.127 37.770 -7.753 1485 2HH1 ARG 50 1HH2 ARG 50 74.447 37.181 -6.799 1486 1HH2 ARG 50 2HH1 ARG 50 72.996 38.058 -3.712 1487 2HH2 ARG 50 1HH1 ARG 50 74.373 37.347 -4.485 1488 HA PRO 51 HA PRO 51 69.968 43.564 -11.254 1489 1HB PRO 51 2HB PRO 51 70.277 46.126 -10.354 1490 2HB PRO 51 3HB PRO 51 68.829 45.563 -11.165 1491 1HG PRO 51 2HG PRO 51 69.249 46.109 -8.290 1492 2HG PRO 51 3HG PRO 51 67.741 45.964 -9.171 1493 1HD PRO 51 2HD PRO 51 68.915 43.998 -7.444 1494 2HD PRO 51 3HD PRO 51 67.468 43.811 -8.414 1495 H GLN 52 HN GLN 52 72.010 43.289 -11.893 1496 HA GLN 52 HA GLN 52 73.939 43.699 -9.741 1497 1HB GLN 52 2HB GLN 52 75.302 41.919 -10.727 1498 2HB GLN 52 3HB GLN 52 73.691 41.313 -10.400 1499 1HG GLN 52 2HG GLN 52 73.420 40.770 -12.583 1500 2HG GLN 52 3HG GLN 52 73.666 42.440 -13.052 1501 1HE2 GLN 52 1HE2 GLN 52 74.776 39.353 -13.355 1502 2HE2 GLN 52 2HE2 GLN 52 76.399 39.632 -13.894 1503 H THR 53 HN THR 53 76.116 44.472 -10.429 1504 HA THR 53 HA THR 53 76.242 45.623 -13.096 1505 HB THR 53 HB THR 53 76.171 47.213 -10.488 1506 HG1 THR 53 HG1 THR 53 74.620 48.356 -12.012 1507 1HG2 THR 53 1HG2 THR 53 77.581 48.752 -11.415 1508 2HG2 THR 53 2HG2 THR 53 77.785 47.726 -12.856 1509 3HG2 THR 53 3HG2 THR 53 76.454 48.905 -12.785 1510 H SER 54 HN SER 54 78.160 45.138 -13.942 1511 HA SER 54 HA SER 54 80.499 45.516 -12.416 1512 1HB SER 54 2HB SER 54 79.297 42.901 -12.323 1513 2HB SER 54 3HB SER 54 80.760 42.778 -13.280 1514 HG SER 54 HG SER 54 80.528 43.837 -10.594 1515 H LEU 55 HN LEU 55 82.268 45.834 -13.816 1516 HA LEU 55 HA LEU 55 81.789 45.127 -16.625 1517 1HB LEU 55 2HB LEU 55 82.483 47.203 -17.376 1518 2HB LEU 55 3HB LEU 55 81.400 47.559 -16.045 1519 HG LEU 55 HG LEU 55 84.290 47.381 -15.370 1520 1HD1 LEU 55 1HD1 LEU 55 85.051 49.207 -16.475 1521 2HD1 LEU 55 2HD1 LEU 55 83.833 48.685 -17.664 1522 3HD1 LEU 55 3HD1 LEU 55 83.453 49.992 -16.517 1523 1HD2 LEU 55 1HD2 LEU 55 82.058 48.135 -14.014 1524 2HD2 LEU 55 2HD2 LEU 55 83.712 48.650 -13.608 1525 3HD2 LEU 55 3HD2 LEU 55 82.662 49.711 -14.577 1526 H LEU 56 HN LEU 56 83.915 45.110 -17.905 1527 HA LEU 56 HA LEU 56 86.074 44.178 -16.145 1528 1HB LEU 56 2HB LEU 56 86.560 42.397 -17.621 1529 2HB LEU 56 3HB LEU 56 84.858 42.313 -17.214 1530 HG LEU 56 HG LEU 56 85.382 43.822 -19.680 1531 1HD1 LEU 56 1HD1 LEU 56 86.320 42.234 -21.027 1532 2HD1 LEU 56 2HD1 LEU 56 87.160 41.866 -19.501 1533 3HD1 LEU 56 3HD1 LEU 56 85.768 40.880 -20.012 1534 1HD2 LEU 56 1HD2 LEU 56 83.549 42.437 -20.521 1535 2HD2 LEU 56 2HD2 LEU 56 83.600 41.456 -19.036 1536 3HD2 LEU 56 3HD2 LEU 56 83.143 43.175 -18.953 Start of MODEL 17 1 1H5* G 276 1H5* G 276 58.540 37.312 -3.536 2 2H5* G 276 2H5* G 276 60.280 37.383 -3.818 3 H4* G 276 H4* G 276 59.593 35.833 -1.998 4 H3* G 276 H3* G 276 61.182 34.843 -4.350 5 H2* G 276 H2* G 276 61.343 32.697 -3.345 6 2HO* G 276 2HO* G 276 61.552 33.775 -1.239 7 H1* G 276 H1* G 276 58.622 32.537 -2.766 8 H8 G 276 H8 G 276 58.773 34.248 -6.011 9 H1 G 276 H1 G 276 59.875 27.892 -6.533 10 1H2 G 276 1H2 G 276 60.191 27.091 -4.660 11 2H2 G 276 2H2 G 276 60.162 28.005 -3.169 12 1H5* G 277 1H5* G 277 63.463 33.231 -1.047 13 2H5* G 277 2H5* G 277 65.119 33.726 -1.394 14 H4* G 277 H4* G 277 65.145 31.377 -1.124 15 H3* G 277 H3* G 277 65.352 32.199 -4.019 16 H2* G 277 H2* G 277 65.760 29.935 -4.590 17 2HO* G 277 2HO* G 277 67.065 29.793 -2.585 18 H1* G 277 H1* G 277 63.682 29.034 -2.838 19 H8 G 277 H8 G 277 62.513 31.846 -4.954 20 H1 G 277 H1 G 277 62.364 26.147 -8.018 21 1H2 G 277 1H2 G 277 63.380 24.739 -6.905 22 2H2 G 277 2H2 G 277 64.156 25.056 -5.369 23 1H5* C 278 1H5* C 278 68.973 30.287 -2.863 24 2H5* C 278 2H5* C 278 70.401 30.618 -3.844 25 H4* C 278 H4* C 278 69.632 28.274 -3.978 26 H3* C 278 H3* C 278 69.665 29.924 -6.507 27 H2* C 278 H2* C 278 69.219 27.951 -7.733 28 2HO* C 278 2HO* C 278 69.275 25.925 -6.316 29 H1* C 278 H1* C 278 67.291 27.066 -5.814 30 1H4 C 278 1H4 C 278 63.952 29.228 -10.830 31 2H4 C 278 2H4 C 278 64.022 30.833 -10.138 32 H5 C 278 H5 C 278 65.278 31.383 -8.214 33 H6 C 278 H6 C 278 66.790 30.519 -6.464 34 1H5* G 279 1H5* G 279 72.738 26.827 -6.867 35 2H5* G 279 2H5* G 279 74.139 27.387 -7.782 36 H4* G 279 H4* G 279 73.274 25.395 -8.801 37 H3* G 279 H3* G 279 72.834 27.919 -10.390 38 H2* G 279 H2* G 279 72.049 26.589 -12.201 39 2HO* G 279 2HO* G 279 72.292 24.240 -11.919 40 H1* G 279 H1* G 279 70.375 25.061 -10.510 41 H8 G 279 H8 G 279 70.033 28.563 -9.451 42 H1 G 279 H1 G 279 66.734 27.301 -14.874 43 1H2 G 279 1H2 G 279 67.310 25.467 -15.619 44 2H2 G 279 2H2 G 279 68.508 24.425 -14.884 45 1H5* G 280 1H5* G 280 75.859 25.572 -13.489 46 2H5* G 280 2H5* G 280 76.409 27.107 -14.160 47 H4* G 280 H4* G 280 75.345 25.408 -15.748 48 H3* G 280 H3* G 280 74.646 28.326 -15.642 49 H2* G 280 H2* G 280 73.153 28.049 -17.469 50 2HO* G 280 2HO* G 280 74.155 25.348 -17.443 51 H1* G 280 H1* G 280 71.876 25.840 -16.364 52 H8 G 280 H8 G 280 72.623 27.969 -13.472 53 H1 G 280 H1 G 280 67.649 30.219 -16.947 54 1H2 G 280 1H2 G 280 67.568 29.229 -18.755 55 2H2 G 280 2H2 G 280 68.682 27.976 -19.255 56 1H5* U 281 1H5* U 281 74.872 27.655 -19.173 57 2H5* U 281 2H5* U 281 76.143 28.315 -20.201 58 H4* U 281 H4* U 281 74.269 28.841 -21.410 59 H3* U 281 H3* U 281 74.826 31.216 -19.630 60 H2* U 281 H2* U 281 73.085 32.381 -20.729 61 2HO* U 281 2HO* U 281 72.150 30.950 -22.608 62 H1* U 281 H1* U 281 71.367 30.107 -20.684 63 H3 U 281 H3 U 281 69.217 33.226 -18.157 64 H5 U 281 H5 U 281 72.265 31.789 -15.671 65 H6 U 281 H6 U 281 73.135 30.566 -17.611 66 2HO* AP7 282 2HO* A 282 72.431 37.364 -24.030 67 H2* AP7 282 H2* A 282 72.917 36.995 -21.925 68 H3* AP7 282 H3* A 282 74.972 35.822 -22.010 69 H4* AP7 282 H4* A 282 73.934 34.305 -24.405 70 H1* AP7 282 H1* A 282 71.409 34.617 -22.373 71 H8 AP7 282 H8 A 282 74.172 34.368 -19.827 72 H2 AP7 282 H2 A 282 68.077 36.404 -19.608 73 H1 AP7 282 H1 A 282 68.518 36.355 -17.393 74 1H6 AP7 282 1H6 A 282 69.896 35.979 -15.576 75 2H6 AP7 282 2H6 A 282 71.540 35.422 -15.792 76 2H5* AP7 282 2H5* A 282 76.291 34.009 -23.857 77 1H5* AP7 282 1H5* A 282 75.381 32.514 -23.647 78 1H5* C 283 1H5* C 283 74.091 38.811 -24.946 79 2H5* C 283 2H5* C 283 74.872 40.364 -24.643 80 H4* C 283 H4* C 283 72.460 40.478 -24.294 81 H3* C 283 H3* C 283 74.239 40.922 -21.907 82 H2* C 283 H2* C 283 72.335 41.498 -20.616 83 2HO* C 283 2HO* C 283 71.021 41.281 -23.171 84 H1* C 283 H1* C 283 70.837 39.299 -21.577 85 1H4 C 283 1H4 C 283 73.066 37.474 -15.869 86 2H4 C 283 2H4 C 283 74.550 36.964 -16.640 87 H5 C 283 H5 C 283 75.043 37.333 -18.921 88 H6 C 283 H6 C 283 74.223 38.293 -21.043 89 1H5* U 284 1H5* U 284 71.789 43.795 -21.990 90 2H5* U 284 2H5* U 284 72.342 45.432 -22.340 91 H4* U 284 H4* U 284 71.003 45.832 -20.539 92 H3* U 284 H3* U 284 73.767 45.340 -19.463 93 H2* U 284 H2* U 284 72.981 45.737 -17.258 94 2HO* U 284 2HO* U 284 71.576 47.437 -18.114 95 H1* U 284 H1* U 284 70.770 44.055 -17.524 96 H3 U 284 H3 U 284 73.482 41.655 -14.808 97 H5 U 284 H5 U 284 75.277 41.296 -18.574 98 H6 U 284 H6 U 284 73.643 42.927 -19.400 99 1H5* A 285 1H5* A 285 72.514 49.257 -17.367 100 2H5* A 285 2H5* A 285 74.093 50.033 -17.251 101 H4* A 285 H4* A 285 72.851 49.578 -15.080 102 H3* A 285 H3* A 285 75.716 48.783 -15.546 103 H2* A 285 H2* A 285 75.873 48.078 -13.285 104 2HO* A 285 2HO* A 285 73.228 49.214 -13.157 105 H1* A 285 H1* A 285 73.467 46.642 -13.373 106 H8 A 285 H8 A 285 75.219 46.159 -16.605 107 1H6 A 285 1H6 A 285 78.509 41.629 -13.848 108 2H6 A 285 2H6 A 285 78.131 42.371 -15.386 109 H2 A 285 H2 A 285 76.255 43.819 -10.707 110 1H5* G 286 1H5* G 286 75.722 51.013 -11.669 111 2H5* G 286 2H5* G 286 77.223 51.935 -11.743 112 H4* G 286 H4* G 286 77.129 50.525 -9.757 113 H3* G 286 H3* G 286 79.251 49.873 -11.799 114 H2* G 286 H2* G 286 80.186 48.321 -10.265 115 2HO* G 286 2HO* G 286 79.699 49.860 -8.523 116 H1* G 286 H1* G 286 77.639 47.253 -9.604 117 H8 G 286 H8 G 286 77.829 47.665 -13.268 118 H1 G 286 H1 G 286 80.939 42.384 -11.188 119 1H2 G 286 1H2 G 286 81.120 42.455 -9.135 120 2H2 G 286 2H2 G 286 80.519 43.752 -8.127 121 1H5* U 287 1H5* U 287 81.318 51.029 -8.201 122 2H5* U 287 2H5* U 287 82.930 51.668 -8.521 123 H4* U 287 H4* U 287 82.972 49.607 -7.185 124 H3* U 287 H3* U 287 84.290 49.592 -9.895 125 H2* U 287 H2* U 287 85.129 47.422 -9.453 126 2HO* U 287 2HO* U 287 84.040 47.953 -6.838 127 H1* U 287 H1* U 287 82.635 46.551 -8.377 128 H3 U 287 H3 U 287 83.436 43.957 -12.059 129 H5 U 287 H5 U 287 81.941 47.561 -13.579 130 H6 U 287 H6 U 287 82.118 48.478 -11.312 131 1H5* U 288 1H5* U 288 87.048 48.402 -7.404 132 2H5* U 288 2H5* U 288 88.658 49.115 -7.491 133 H4* U 288 H4* U 288 89.040 46.852 -7.828 134 H3* U 288 H3* U 288 88.905 48.218 -10.518 135 H2* U 288 H2* U 288 89.584 46.188 -11.522 136 2HO* U 288 2HO* U 288 89.958 45.352 -8.789 137 H1* U 288 H1* U 288 87.859 44.652 -9.828 138 H3 U 288 H3 U 288 86.389 43.802 -14.056 139 H5 U 288 H5 U 288 84.938 47.635 -13.193 140 H6 U 288 H6 U 288 86.290 47.579 -11.149 141 1H5* G 289 1H5* G 289 92.449 46.690 -10.595 142 2H5* G 289 2H5* G 289 93.792 47.626 -11.253 143 H4* G 289 H4* G 289 93.519 45.826 -12.724 144 H3* G 289 H3* G 289 92.213 48.300 -13.866 145 H2* G 289 H2* G 289 91.871 47.119 -15.881 146 2HO* G 289 2HO* G 289 92.960 44.820 -15.707 147 H1* G 289 H1* G 289 91.120 44.735 -14.463 148 H8 G 289 H8 G 289 89.488 48.013 -13.517 149 H1 G 289 H1 G 289 86.330 44.661 -18.063 150 1H2 G 289 1H2 G 289 87.476 43.052 -18.654 151 2H2 G 289 2H2 G 289 89.057 42.668 -18.013 152 1H5* A 290 1H5* A 290 93.322 50.794 -16.817 153 2H5* A 290 2H5* A 290 92.461 49.274 -16.581 154 H4* A 290 H4* A 290 93.160 50.244 -18.988 155 H3* A 290 H3* A 290 92.641 47.459 -18.042 156 H2* A 290 H2* A 290 93.348 46.531 -20.102 157 2HO* A 290 2HO* A 290 93.463 49.309 -20.854 158 H1* A 290 H1* A 290 95.714 47.912 -20.254 159 H8 A 290 H8 A 290 94.406 47.068 -16.769 160 1H6 A 290 1H6 A 290 98.223 42.137 -17.039 161 2H6 A 290 2H6 A 290 97.118 43.019 -16.009 162 H2 A 290 H2 A 290 98.356 44.215 -20.964 163 1H5* G 291 1H5* G 291 91.612 46.850 -22.187 164 2H5* G 291 2H5* G 291 90.055 46.044 -21.996 165 H4* G 291 H4* G 291 91.782 44.672 -23.135 166 H3* G 291 H3* G 291 90.377 43.727 -20.677 167 H2* G 291 H2* G 291 91.608 41.698 -20.650 168 2HO* G 291 2HO* G 291 91.728 41.293 -22.833 169 H1* G 291 H1* G 291 94.081 42.946 -20.936 170 H8 G 291 H8 G 291 91.308 44.547 -18.844 171 H1 G 291 H1 G 291 95.699 41.170 -15.497 172 1H2 G 291 1H2 G 291 97.009 40.259 -16.803 173 2H2 G 291 2H2 G 291 96.930 40.391 -18.547 174 1H5* A 292 1H5* A 292 86.385 41.163 -24.138 175 2H5* A 292 2H5* A 292 86.534 41.484 -22.411 176 H4* A 292 H4* A 292 88.102 39.687 -24.160 177 H3* A 292 H3* A 292 87.122 39.652 -21.311 178 H2* A 292 H2* A 292 88.698 37.941 -20.829 179 2HO* A 292 2HO* A 292 89.984 37.349 -22.930 180 H1* A 292 H1* A 292 90.772 39.326 -22.194 181 H8 A 292 H8 A 292 88.430 41.174 -19.829 182 1H6 A 292 1H6 A 292 92.903 40.431 -15.540 183 2H6 A 292 2H6 A 292 91.352 41.177 -15.856 184 H2 A 292 H2 A 292 94.108 38.222 -19.202 185 1H5* A 293 1H5* A 293 87.897 35.515 -20.874 186 2H5* A 293 2H5* A 293 86.447 35.202 -19.921 187 H4* A 293 H4* A 293 88.743 35.240 -18.745 188 H3* A 293 H3* A 293 86.230 36.537 -17.736 189 H2* A 293 H2* A 293 87.360 37.237 -15.771 190 2HO* A 293 2HO* A 293 89.231 36.147 -15.230 191 H1* A 293 H1* A 293 89.548 38.284 -17.123 192 H8 A 293 H8 A 293 86.706 39.023 -19.327 193 1H6 A 293 1H6 A 293 85.369 43.887 -15.651 194 2H6 A 293 2H6 A 293 85.010 43.129 -17.187 195 H2 A 293 H2 A 293 88.395 41.374 -13.585 196 1H5* A 294 1H5* A 294 88.369 34.626 -14.113 197 2H5* A 294 2H5* A 294 87.007 33.659 -13.549 198 H4* A 294 H4* A 294 87.926 34.928 -11.719 199 H3* A 294 H3* A 294 85.171 35.679 -12.637 200 H2* A 294 H2* A 294 85.005 37.305 -10.914 201 2HO* A 294 2HO* A 294 87.531 36.155 -10.142 202 H1* A 294 H1* A 294 87.553 38.376 -11.460 203 H8 A 294 H8 A 294 85.757 37.578 -14.629 204 1H6 A 294 1H6 A 294 83.121 43.219 -14.203 205 2H6 A 294 2H6 A 294 83.342 41.833 -15.248 206 H2 A 294 H2 A 294 85.261 42.394 -10.398 207 1H5* C 295 1H5* C 295 85.327 35.123 -8.776 208 2H5* C 295 2H5* C 295 84.096 34.302 -7.817 209 H4* C 295 H4* C 295 84.225 36.446 -6.905 210 H3* C 295 H3* C 295 81.864 36.235 -8.766 211 H2* C 295 H2* C 295 81.199 38.419 -8.136 212 2HO* C 295 2HO* C 295 82.606 39.358 -6.339 213 H1* C 295 H1* C 295 83.858 39.418 -8.332 214 1H4 C 295 1H4 C 295 81.004 41.364 -13.700 215 2H4 C 295 2H4 C 295 81.211 39.765 -14.379 216 H5 C 295 H5 C 295 82.075 37.926 -13.176 217 H6 C 295 H6 C 295 82.963 37.161 -11.003 218 1H5* U 296 1H5* U 296 80.225 37.052 -4.854 219 2H5* U 296 2H5* U 296 78.592 36.419 -4.655 220 H4* U 296 H4* U 296 78.633 38.846 -4.475 221 H3* U 296 H3* U 296 77.143 37.667 -6.813 222 H2* U 296 H2* U 296 76.389 39.822 -7.406 223 2HO* U 296 2HO* U 296 77.531 41.267 -5.384 224 H1* U 296 H1* U 296 78.965 40.976 -6.836 225 H3 U 296 H3 U 296 77.999 41.955 -11.210 226 H5 U 296 H5 U 296 79.387 38.003 -11.248 227 H6 U 296 H6 U 296 79.300 38.054 -8.798 228 1H5* A 297 1H5* A 297 74.230 39.834 -4.196 229 2H5* A 297 2H5* A 297 72.623 39.132 -4.382 230 H4* A 297 H4* A 297 72.632 41.514 -4.902 231 H3* A 297 H3* A 297 71.946 39.568 -7.075 232 H2* A 297 H2* A 297 71.534 41.355 -8.593 233 2HO* A 297 2HO* A 297 71.163 43.362 -7.711 234 H1* A 297 H1* A 297 73.960 42.640 -7.944 235 H8 A 297 H8 A 297 74.707 39.047 -8.146 236 1H6 A 297 1H6 A 297 75.031 39.665 -14.348 237 2H6 A 297 2H6 A 297 75.364 38.586 -13.012 238 H2 A 297 H2 A 297 73.286 43.391 -12.668 239 1H5* G 298 1H5* G 298 69.233 42.869 -7.479 240 2H5* G 298 2H5* G 298 67.621 42.153 -7.443 241 H4* G 298 H4* G 298 67.759 43.590 -9.339 242 H3* G 298 H3* G 298 67.702 40.657 -9.969 243 H2* G 298 H2* G 298 67.680 41.139 -12.302 244 2HO* G 298 2HO* G 298 66.344 43.052 -11.801 245 H1* G 298 H1* G 298 69.838 42.939 -12.078 246 H8 G 298 H8 G 298 70.694 40.112 -9.911 247 H1 G 298 H1 G 298 71.487 38.705 -16.177 248 1H2 G 298 1H2 G 298 70.590 40.162 -17.329 249 2H2 G 298 2H2 G 298 69.748 41.557 -16.691 250 1H5* C 299 1H5* C 299 64.749 42.005 -12.165 251 2H5* C 299 2H5* C 299 63.284 41.033 -12.293 252 H4* C 299 H4* C 299 64.450 41.146 -14.421 253 H3* C 299 H3* C 299 64.243 38.468 -13.079 254 H2* C 299 H2* C 299 65.336 37.432 -14.896 255 2HO* C 299 2HO* C 299 65.152 40.030 -16.127 256 H1* C 299 H1* C 299 67.240 39.580 -15.093 257 1H4 C 299 1H4 C 299 70.392 34.591 -12.604 258 2H4 C 299 2H4 C 299 69.865 35.103 -11.016 259 H5 C 299 H5 C 299 68.340 36.866 -10.640 260 H6 C 299 H6 C 299 66.930 38.590 -11.707 261 1H5* U 300 1H5* U 300 63.062 38.889 -17.109 262 2H5* U 300 2H5* U 300 61.556 38.105 -17.587 263 H4* U 300 H4* U 300 63.055 37.618 -19.309 264 H3* U 300 H3* U 300 62.761 35.283 -17.437 265 H2* U 300 H2* U 300 64.184 33.987 -18.818 266 2HO* U 300 2HO* U 300 64.598 36.055 -20.666 267 H1* U 300 H1* U 300 66.134 35.953 -19.066 268 H3 U 300 H3 U 300 68.155 33.110 -16.202 269 H5 U 300 H5 U 300 65.182 34.900 -13.858 270 H6 U 300 H6 U 300 64.369 35.991 -15.898 271 1H5* C 301 1H5* C 301 60.876 33.929 -21.212 272 2H5* C 301 2H5* C 301 60.023 32.400 -20.994 273 H4* C 301 H4* C 301 62.175 32.182 -22.197 274 H3* C 301 H3* C 301 61.681 30.679 -19.650 275 H2* C 301 H2* C 301 63.802 29.641 -19.797 276 2HO* C 301 2HO* C 301 64.813 29.628 -21.814 277 H1* C 301 H1* C 301 65.078 32.097 -20.511 278 1H4 C 301 1H4 C 301 66.576 31.145 -14.371 279 2H4 C 301 2H4 C 301 65.025 31.810 -13.910 280 H5 C 301 H5 C 301 63.341 32.411 -15.452 281 H6 C 301 H6 C 301 62.723 32.524 -17.840 282 1H5* U 302 1H5* U 302 63.057 28.257 -21.986 283 2H5* U 302 2H5* U 302 62.342 26.729 -22.499 284 H4* U 302 H4* U 302 64.230 25.891 -21.599 285 H3* U 302 H3* U 302 62.382 26.175 -19.240 286 H2* U 302 H2* U 302 64.063 25.271 -17.831 287 2HO* U 302 2HO* U 302 65.565 24.948 -20.265 288 H1* U 302 H1* U 302 66.083 26.911 -18.877 289 H3 U 302 H3 U 302 65.718 29.067 -14.971 290 H5 U 302 H5 U 302 61.887 29.501 -16.606 291 H6 U 302 H6 U 302 62.629 28.089 -18.468 292 1H5* G 303 1H5* G 303 63.881 22.715 -19.336 293 2H5* G 303 2H5* G 303 63.119 21.160 -19.006 294 H4* G 303 H4* G 303 64.689 21.325 -17.322 295 H3* G 303 H3* G 303 62.074 22.366 -16.220 296 H2* G 303 H2* G 303 63.089 22.483 -14.096 297 2HO* G 303 2HO* G 303 65.382 21.459 -14.132 298 H1* G 303 H1* G 303 65.550 23.465 -15.205 299 H8 G 303 H8 G 303 62.626 25.372 -16.455 300 H1 G 303 H1 G 303 64.612 27.326 -10.613 301 1H2 G 303 1H2 G 303 65.971 25.972 -9.859 302 2H2 G 303 2H2 G 303 66.496 24.522 -10.687 303 1H5* U 304 1H5* U 304 59.722 21.004 -13.294 304 2H5* U 304 2H5* U 304 61.113 21.825 -14.002 305 H4* U 304 H4* U 304 61.909 19.744 -12.123 306 H3* U 304 H3* U 304 59.822 21.653 -11.213 307 H2* U 304 H2* U 304 61.029 22.277 -9.276 308 2HO* U 304 2HO* U 304 62.781 20.178 -10.184 309 H1* U 304 H1* U 304 63.404 22.789 -10.561 310 H3 U 304 H3 U 304 61.132 26.711 -9.574 311 H5 U 304 H5 U 304 60.126 25.710 -13.514 312 H6 U 304 H6 U 304 61.206 23.542 -13.135 313 1H5* A 305 1H5* A 305 59.548 17.401 -9.167 314 2H5* A 305 2H5* A 305 57.956 17.073 -8.485 315 H4* A 305 H4* A 305 59.438 17.961 -6.792 316 H3* A 305 H3* A 305 57.114 19.689 -7.600 317 H2* A 305 H2* A 305 57.709 21.287 -5.979 318 2HO* A 305 2HO* A 305 58.239 20.069 -4.236 319 H1* A 305 H1* A 305 60.523 20.936 -6.554 320 H8 A 305 H8 A 305 58.357 21.679 -9.511 321 1H6 A 305 1H6 A 305 59.422 27.721 -8.366 322 2H6 A 305 2H6 A 305 58.734 26.596 -9.516 323 H2 A 305 H2 A 305 61.017 25.358 -4.959 324 1H5* U 306 1H5* U 306 53.057 18.937 -5.698 325 2H5* U 306 2H5* U 306 53.210 20.693 -5.712 326 H4* U 306 H4* U 306 52.570 19.174 -3.536 327 H3* U 306 H3* U 306 53.694 21.958 -3.768 328 H2* U 306 H2* U 306 54.041 22.041 -1.498 329 2HO* U 306 2HO* U 306 52.468 20.308 -0.375 330 H1* U 306 H1* U 306 53.994 19.046 -1.391 331 H3 U 306 H3 U 306 57.568 18.810 1.261 332 H5 U 306 H5 U 306 58.331 22.304 -0.917 333 H6 U 306 H6 U 306 56.227 21.901 -2.111 334 1H5* C 307 1H5* C 307 49.582 20.401 -0.822 335 2H5* C 307 2H5* C 307 47.939 20.322 -1.457 336 H4* C 307 H4* C 307 48.317 22.103 0.245 337 H3* C 307 H3* C 307 47.296 22.805 -2.502 338 H2* C 307 H2* C 307 46.959 25.040 -1.770 339 2HO* C 307 2HO* C 307 47.758 23.938 0.771 340 H1* C 307 H1* C 307 49.508 25.189 -0.577 341 1H4 C 307 1H4 C 307 49.947 27.866 -6.398 342 2H4 C 307 2H4 C 307 50.590 26.345 -6.973 343 H5 C 307 H5 C 307 50.679 24.377 -5.669 344 H6 C 307 H6 C 307 50.168 23.376 -3.471 345 1H5* U 308 1H5* U 308 45.245 19.091 -2.256 346 2H5* U 308 2H5* U 308 43.503 19.113 -1.988 347 H4* U 308 H4* U 308 44.024 17.301 -0.734 348 H3* U 308 H3* U 308 44.434 19.623 1.153 349 H2* U 308 H2* U 308 45.154 18.163 2.774 350 2HO* U 308 2HO* U 308 44.202 15.802 2.170 351 H1* U 308 H1* U 308 45.760 16.130 0.655 352 H3 U 308 H3 U 308 49.891 15.210 2.095 353 H5 U 308 H5 U 308 49.150 18.949 3.828 354 H6 U 308 H6 U 308 47.003 18.963 2.645 355 1H5* G 309 1H5* G 309 41.891 17.905 4.788 356 2H5* G 309 2H5* G 309 40.564 18.769 4.012 357 H4* G 309 H4* G 309 40.846 19.523 6.292 358 H3* G 309 H3* G 309 41.430 21.491 4.107 359 H2* G 309 H2* G 309 41.877 23.188 5.704 360 2HO* G 309 2HO* G 309 41.081 21.170 7.601 361 H1* G 309 H1* G 309 43.475 21.415 7.271 362 H8 G 309 H8 G 309 43.721 21.892 3.478 363 H1 G 309 H1 G 309 48.242 24.942 6.963 364 1H2 G 309 1H2 G 309 47.863 24.671 8.972 365 2H2 G 309 2H2 G 309 46.520 23.753 9.615 366 1H5* G 310 1H5* G 310 39.804 23.876 7.306 367 2H5* G 310 2H5* G 310 38.266 23.111 6.910 368 H4* G 310 H4* G 310 38.435 25.555 7.947 369 H3* G 310 H3* G 310 36.407 24.537 5.948 370 H2* G 310 H2* G 310 35.275 26.590 6.144 371 2HO* G 310 2HO* G 310 35.284 27.269 8.204 372 H1* G 310 H1* G 310 37.781 28.035 6.313 373 H8 G 310 H8 G 310 37.669 25.891 3.312 374 H1 G 310 H1 G 310 34.477 31.464 2.511 375 1H2 G 310 1H2 G 310 34.252 32.397 4.336 376 2H2 G 310 2H2 G 310 34.840 31.764 5.857 377 1H5* C 311 1H5* C 311 34.623 25.596 9.532 378 2H5* C 311 2H5* C 311 33.296 24.636 10.186 379 H4* C 311 H4* C 311 32.461 26.815 10.060 380 H3* C 311 H3* C 311 31.490 25.185 7.715 381 H2* C 311 H2* C 311 30.078 26.994 7.105 382 2HO* C 311 2HO* C 311 29.477 28.332 8.739 383 H1* C 311 H1* C 311 32.165 28.889 7.512 384 1H4 C 311 1H4 C 311 31.811 28.057 1.181 385 2H4 C 311 2H4 C 311 32.839 26.649 1.335 386 H5 C 311 H5 C 311 33.537 25.748 3.404 387 H6 C 311 H6 C 311 33.418 25.979 5.859 388 1H5* G 312 1H5* G 312 27.292 26.645 9.865 389 2H5* G 312 2H5* G 312 26.305 25.715 8.738 390 H4* G 312 H4* G 312 26.418 28.415 8.809 391 H3* G 312 H3* G 312 25.700 26.513 6.603 392 H2* G 312 H2* G 312 25.410 28.334 5.098 393 2HO* G 312 2HO* G 312 25.149 30.364 5.993 394 H1* G 312 H1* G 312 27.862 29.485 5.688 395 H8 G 312 H8 G 312 28.827 26.032 5.939 396 H1 G 312 H1 G 312 27.499 27.597 -0.198 397 1H2 G 312 1H2 G 312 26.493 29.396 -0.248 398 2H2 G 312 2H2 G 312 26.072 30.341 1.164 399 1H5* G 313 1H5* G 313 23.235 30.196 5.587 400 2H5* G 313 2H5* G 313 21.671 29.400 5.752 401 H4* G 313 H4* G 313 21.817 30.480 3.605 402 H3* G 313 H3* G 313 21.796 27.471 3.559 403 H2* G 313 H2* G 313 21.695 27.519 1.191 404 2HO* G 313 2HO* G 313 21.108 29.493 0.207 405 H1* G 313 H1* G 313 23.741 29.398 0.927 406 H8 G 313 H8 G 313 24.372 26.989 3.742 407 H1 G 313 H1 G 313 26.340 24.855 -2.041 408 1H2 G 313 1H2 G 313 25.658 26.127 -3.514 409 2H2 G 313 2H2 G 313 24.696 27.559 -3.224 410 1H5* A 314 1H5* A 314 19.014 29.456 1.196 411 2H5* A 314 2H5* A 314 17.525 28.645 0.711 412 H4* A 314 H4* A 314 18.790 29.304 -1.237 413 H3* A 314 H3* A 314 18.526 26.354 -0.732 414 H2* A 314 H2* A 314 19.638 25.899 -2.786 415 2HO* A 314 2HO* A 314 18.514 27.865 -3.638 416 H1* A 314 H1* A 314 21.760 27.603 -2.260 417 H8 A 314 H8 A 314 20.417 25.939 0.848 418 1H6 A 314 1H6 A 314 24.533 21.384 -0.278 419 2H6 A 314 2H6 A 314 23.371 21.990 0.881 420 H2 A 314 H2 A 314 24.547 24.160 -3.747 421 1H5* C 315 1H5* C 315 19.000 26.294 -4.714 422 2H5* C 315 2H5* C 315 17.452 25.712 -5.326 423 H4* C 315 H4* C 315 19.500 24.406 -6.016 424 H3* C 315 H3* C 315 16.957 23.447 -5.574 425 H2* C 315 H2* C 315 17.361 22.489 -3.462 426 2HO* C 315 2HO* C 315 16.939 20.558 -4.354 427 H1* C 315 H1* C 315 20.112 21.531 -4.281 428 1H4 C 315 1H4 C 315 21.154 21.598 1.984 429 2H4 C 315 2H4 C 315 19.941 22.837 2.216 430 H5 C 315 H5 C 315 18.694 23.802 0.458 431 H6 C 315 H6 C 315 18.300 23.815 -1.980 432 1H5* C 316 1H5* C 316 18.203 24.454 -9.724 433 2H5* C 316 2H5* C 316 18.004 23.228 -10.977 434 H4* C 316 H4* C 316 20.009 24.333 -11.486 435 H3* C 316 H3* C 316 20.548 21.685 -10.145 436 H2* C 316 H2* C 316 22.859 21.979 -10.592 437 2HO* C 316 2HO* C 316 22.021 23.027 -12.675 438 H1* C 316 H1* C 316 22.822 24.678 -9.734 439 1H4 C 316 1H4 C 316 25.150 21.435 -4.751 440 2H4 C 316 2H4 C 316 23.523 20.975 -4.304 441 H5 C 316 H5 C 316 21.611 21.472 -5.601 442 H6 C 316 H6 C 316 20.783 22.543 -7.665 443 1H5* C 317 1H5* C 317 22.422 21.502 -13.889 444 2H5* C 317 2H5* C 317 22.191 19.960 -14.713 445 H4* C 317 H4* C 317 24.527 20.346 -14.558 446 H3* C 317 H3* C 317 23.559 18.243 -12.623 447 H2* C 317 H2* C 317 25.817 17.763 -12.086 448 2HO* C 317 2HO* C 317 26.431 19.660 -14.163 449 H1* C 317 H1* C 317 26.500 20.508 -11.896 450 1H4 C 317 1H4 C 317 25.676 18.492 -5.880 451 2H4 C 317 2H4 C 317 23.969 18.847 -6.029 452 H5 C 317 H5 C 317 22.937 19.523 -8.043 453 H6 C 317 H6 C 317 23.291 20.028 -10.434 454 1H5* G 318 1H5* G 318 26.510 16.958 -15.003 455 2H5* G 318 2H5* G 318 26.275 15.491 -15.950 456 H4* G 318 H4* G 318 28.346 15.102 -15.064 457 H3* G 318 H3* G 318 26.336 13.888 -13.185 458 H2* G 318 H2* G 318 28.100 13.089 -11.813 459 2HO* G 318 2HO* G 318 30.260 13.242 -12.699 460 H1* G 318 H1* G 318 29.450 15.527 -11.763 461 H8 G 318 H8 G 318 25.678 15.815 -11.746 462 H1 G 318 H1 G 318 28.357 15.328 -5.874 463 1H2 G 318 1H2 G 318 30.367 14.912 -6.066 464 2H2 G 318 2H2 G 318 31.203 14.723 -7.592 465 1H5* U 319 1H5* U 319 28.285 11.202 -13.636 466 2H5* U 319 2H5* U 319 28.076 9.457 -13.775 467 H4* U 319 H4* U 319 27.498 11.210 -11.562 468 H3* U 319 H3* U 319 27.745 8.248 -11.987 469 H2* U 319 H2* U 319 26.752 7.855 -9.856 470 2HO* U 319 2HO* U 319 27.494 10.529 -9.731 471 H1* U 319 H1* U 319 24.624 9.631 -10.404 472 H3 U 319 H3 U 319 22.126 5.931 -10.672 473 H5 U 319 H5 U 319 25.074 5.235 -13.564 474 H6 U 319 H6 U 319 26.109 7.348 -12.875 475 1H5* G 320 1H5* G 320 29.951 11.210 -10.185 476 2H5* G 320 2H5* G 320 30.982 12.297 -11.116 477 H4* G 320 H4* G 320 32.944 10.929 -10.108 478 H3* G 320 H3* G 320 30.691 9.789 -8.588 479 H2* G 320 H2* G 320 31.641 10.183 -6.453 480 2HO* G 320 2HO* G 320 33.863 11.057 -8.064 481 H1* G 320 H1* G 320 32.157 12.835 -6.835 482 H8 G 320 H8 G 320 29.260 12.548 -8.995 483 H1 G 320 H1 G 320 27.601 12.103 -2.756 484 1H2 G 320 1H2 G 320 29.292 11.803 -1.613 485 2H2 G 320 2H2 G 320 30.917 11.690 -2.251 486 1H5* G 321 1H5* G 321 34.170 8.622 -6.458 487 2H5* G 321 2H5* G 321 34.160 6.861 -6.379 488 H4* G 321 H4* G 321 34.507 7.706 -4.178 489 H3* G 321 H3* G 321 31.828 6.455 -4.663 490 H2* G 321 H2* G 321 31.201 6.822 -2.402 491 2HO* G 321 2HO* G 321 33.929 7.726 -2.214 492 H1* G 321 H1* G 321 32.141 9.506 -2.470 493 H8 G 321 H8 G 321 30.249 9.095 -5.549 494 H1 G 321 H1 G 321 26.354 9.542 -0.401 495 1H2 G 321 1H2 G 321 27.462 9.315 1.323 496 2H2 G 321 2H2 G 321 29.189 9.043 1.368 497 1H5* U 322 1H5* U 322 33.557 3.332 -1.971 498 2H5* U 322 2H5* U 322 32.569 1.888 -2.192 499 H4* U 322 H4* U 322 32.177 3.229 -0.082 500 H3* U 322 H3* U 322 29.970 2.404 -1.946 501 H2* U 322 H2* U 322 28.363 3.374 -0.521 502 2HO* U 322 2HO* U 322 30.651 3.518 1.218 503 H1* U 322 H1* U 322 30.096 5.645 -0.032 504 H3 U 322 H3 U 322 26.170 7.442 -1.521 505 H5 U 322 H5 U 322 28.014 5.914 -4.956 506 H6 U 322 H6 U 322 29.677 4.877 -3.482 507 1H5* G 323 1H5* G 323 29.038 -0.033 1.980 508 2H5* G 323 2H5* G 323 28.762 -1.623 1.269 509 H4* G 323 H4* G 323 26.909 -1.244 2.642 510 H3* G 323 H3* G 323 26.276 -0.781 -0.250 511 H2* G 323 H2* G 323 24.009 -0.292 0.292 512 2HO* G 323 2HO* G 323 24.306 -1.942 2.070 513 H1* G 323 H1* G 323 24.654 1.573 2.230 514 H8 G 323 H8 G 323 27.272 1.770 -0.404 515 H1 G 323 H1 G 323 21.847 4.937 -1.957 516 1H2 G 323 1H2 G 323 20.360 4.457 -0.612 517 2H2 G 323 2H2 G 323 20.553 3.359 0.737 518 1H5* G 324 1H5* G 324 23.481 -3.400 -2.514 519 2H5* G 324 2H5* G 324 24.360 -2.057 -3.243 520 H4* G 324 H4* G 324 22.358 -0.822 -1.752 521 H3* G 324 H3* G 324 21.389 -3.477 -2.578 522 H2* G 324 H2* G 324 19.539 -2.690 -3.807 523 2HO* G 324 2HO* G 324 20.348 -0.195 -2.620 524 H1* G 324 H1* G 324 20.829 -0.860 -5.320 525 H8 G 324 H8 G 324 23.728 -2.911 -4.928 526 H1 G 324 H1 G 324 19.242 -6.007 -8.416 527 1H2 G 324 1H2 G 324 17.426 -5.052 -8.208 528 2H2 G 324 2H2 G 324 17.160 -3.623 -7.233 529 1H5* A 325 1H5* A 325 17.979 -2.025 -1.186 530 2H5* A 325 2H5* A 325 17.376 -2.816 0.270 531 H4* A 325 H4* A 325 15.575 -2.994 -1.146 532 H3* A 325 H3* A 325 17.179 -5.517 -1.276 533 H2* A 325 H2* A 325 15.713 -6.438 -2.897 534 2HO* A 325 2HO* A 325 14.071 -4.205 -3.097 535 H1* A 325 H1* A 325 15.720 -4.153 -4.505 536 H8 A 325 H8 A 325 19.161 -4.465 -3.247 537 1H6 A 325 1H6 A 325 20.186 -8.715 -7.700 538 2H6 A 325 2H6 A 325 20.959 -7.710 -6.496 539 H2 A 325 H2 A 325 15.816 -7.933 -7.505 540 1H5* A 326 1H5* A 326 13.537 -7.859 0.814 541 2H5* A 326 2H5* A 326 14.468 -9.355 0.866 542 H4* A 326 H4* A 326 12.451 -9.003 -0.811 543 H3* A 326 H3* A 326 14.958 -10.593 -1.125 544 H2* A 326 H2* A 326 14.410 -11.152 -3.378 545 2HO* A 326 2HO* A 326 12.224 -11.316 -3.382 546 H1* A 326 H1* A 326 13.979 -8.522 -4.132 547 H8 A 326 H8 A 326 16.670 -7.866 -1.888 548 1H6 A 326 1H6 A 326 20.685 -10.395 -5.942 549 2H6 A 326 2H6 A 326 20.557 -9.410 -4.502 550 H2 A 326 H2 A 326 16.569 -11.524 -7.176 551 1H5* C 327 1H5* C 327 12.072 -13.202 -2.741 552 2H5* C 327 2H5* C 327 12.295 -14.808 -2.048 553 H4* C 327 H4* C 327 12.414 -14.859 -4.480 554 H3* C 327 H3* C 327 14.870 -15.600 -2.921 555 H2* C 327 H2* C 327 16.007 -16.143 -4.941 556 2HO* C 327 2HO* C 327 13.418 -15.557 -6.063 557 H1* C 327 H1* C 327 15.368 -13.745 -6.183 558 1H4 C 327 1H4 C 327 20.971 -12.854 -3.174 559 2H4 C 327 2H4 C 327 20.079 -12.051 -1.900 560 H5 C 327 H5 C 327 17.721 -11.973 -1.793 561 H6 C 327 H6 C 327 15.617 -12.654 -2.891 562 1H5* U 328 1H5* U 328 14.396 -18.350 -5.735 563 2H5* U 328 2H5* U 328 14.269 -20.017 -5.176 564 H4* U 328 H4* U 328 15.886 -19.985 -6.903 565 H3* U 328 H3* U 328 17.114 -20.241 -4.164 566 H2* U 328 H2* U 328 19.235 -20.567 -5.176 567 2HO* U 328 2HO* U 328 18.628 -20.352 -7.790 568 H1* U 328 H1* U 328 18.906 -18.416 -6.960 569 H3 U 328 H3 U 328 22.188 -17.580 -3.774 570 H5 U 328 H5 U 328 18.613 -15.998 -2.274 571 H6 U 328 H6 U 328 17.450 -17.161 -4.092 572 1H5* G 329 1H5* G 329 19.011 -24.638 -4.813 573 2H5* G 329 2H5* G 329 18.700 -24.726 -3.080 574 H4* G 329 H4* G 329 21.155 -24.601 -4.116 575 H3* G 329 H3* G 329 20.120 -23.583 -1.489 576 H2* G 329 H2* G 329 22.256 -22.718 -0.949 577 2HO* G 329 2HO* G 329 23.953 -23.745 -1.879 578 H1* G 329 H1* G 329 22.599 -21.621 -3.560 579 H8 G 329 H8 G 329 19.239 -20.681 -2.481 580 H1 G 329 H1 G 329 23.793 -17.133 0.443 581 1H2 G 329 1H2 G 329 25.641 -17.994 0.135 582 2H2 G 329 2H2 G 329 25.915 -19.461 -0.778 583 1H5* U 330 1H5* U 330 20.040 -24.026 1.510 584 2H5* U 330 2H5* U 330 21.226 -22.831 0.988 585 H4* U 330 H4* U 330 20.917 -23.484 3.529 586 H3* U 330 H3* U 330 23.473 -22.789 2.094 587 H2* U 330 H2* U 330 24.654 -22.984 4.127 588 2HO* U 330 2HO* U 330 23.466 -22.807 6.042 589 H1* U 330 H1* U 330 23.148 -25.329 4.865 590 H3 U 330 H3 U 330 26.931 -27.679 4.654 591 H5 U 330 H5 U 330 27.076 -25.468 1.101 592 H6 U 330 H6 U 330 24.958 -24.432 1.774 593 1H5* G 331 1H5* G 331 25.873 -19.864 5.179 594 2H5* G 331 2H5* G 331 25.502 -18.870 3.770 595 H4* G 331 H4* G 331 27.872 -20.035 4.148 596 H3* G 331 H3* G 331 26.441 -19.421 1.572 597 H2* G 331 H2* G 331 28.299 -20.270 0.359 598 2HO* G 331 2HO* G 331 30.251 -20.480 1.469 599 H1* G 331 H1* G 331 28.470 -22.588 1.955 600 H8 G 331 H8 G 331 24.938 -21.610 1.138 601 H1 G 331 H1 G 331 27.771 -25.244 -3.406 602 1H2 G 331 1H2 G 331 29.780 -25.436 -2.981 603 2H2 G 331 2H2 G 331 30.578 -24.719 -1.599 604 1H5* A 332 1H5* A 332 29.351 -15.523 2.011 605 2H5* A 332 2H5* A 332 29.148 -14.744 0.443 606 H4* A 332 H4* A 332 31.254 -16.161 0.869 607 H3* A 332 H3* A 332 29.560 -16.253 -1.609 608 H2* A 332 H2* A 332 31.072 -17.808 -2.591 609 2HO* A 332 2HO* A 332 32.532 -17.303 -0.159 610 H1* A 332 H1* A 332 31.084 -19.475 -0.349 611 H8 A 332 H8 A 332 27.690 -17.994 -0.951 612 1H6 A 332 1H6 A 332 26.605 -22.868 -4.695 613 2H6 A 332 2H6 A 332 25.867 -21.485 -3.920 614 H2 A 332 H2 A 332 30.899 -22.920 -3.553 615 1H5* A 333 1H5* A 333 32.877 -16.203 -5.122 616 2H5* A 333 2H5* A 333 32.189 -14.589 -5.297 617 H4* A 333 H4* A 333 31.677 -16.342 -7.099 618 H3* A 333 H3* A 333 29.652 -14.533 -5.821 619 H2* A 333 H2* A 333 27.958 -15.408 -7.246 620 2HO* A 333 2HO* A 333 29.689 -15.574 -8.927 621 H1* A 333 H1* A 333 28.559 -18.055 -6.676 622 H8 A 333 H8 A 333 29.150 -16.008 -3.613 623 1H6 A 333 1H6 A 333 23.079 -16.708 -2.345 624 2H6 A 333 2H6 A 333 24.605 -16.142 -1.703 625 H2 A 333 H2 A 333 23.826 -18.228 -6.454 626 1H5* G 334 1H5* G 334 29.045 -14.613 -10.533 627 2H5* G 334 2H5* G 334 27.845 -13.331 -10.692 628 H4* G 334 H4* G 334 27.322 -15.948 -11.059 629 H3* G 334 H3* G 334 25.540 -13.675 -10.246 630 H2* G 334 H2* G 334 23.698 -15.163 -10.032 631 2HO* G 334 2HO* G 334 25.621 -17.042 -11.069 632 H1* G 334 H1* G 334 25.057 -16.986 -8.458 633 H8 G 334 H8 G 334 26.593 -14.021 -7.162 634 H1 G 334 H1 G 334 20.341 -14.244 -5.505 635 1H2 G 334 1H2 G 334 19.374 -15.656 -6.655 636 2H2 G 334 2H2 G 334 20.143 -16.636 -7.884 637 1H5* U 335 1H5* U 335 23.452 -16.035 -12.693 638 2H5* U 335 2H5* U 335 22.630 -15.208 -14.015 639 H4* U 335 H4* U 335 21.060 -16.561 -12.782 640 H3* U 335 H3* U 335 20.714 -13.595 -12.686 641 H2* U 335 H2* U 335 18.824 -13.781 -11.263 642 2HO* U 335 2HO* U 335 19.237 -16.537 -11.940 643 H1* U 335 H1* U 335 20.091 -15.554 -9.499 644 H3 U 335 H3 U 335 19.423 -11.351 -7.621 645 H5 U 335 H5 U 335 23.289 -11.364 -9.231 646 H6 U 335 H6 U 335 22.719 -13.482 -10.327 647 1H5* U 336 1H5* U 336 16.797 -14.853 -14.438 648 2H5* U 336 2H5* U 336 16.317 -13.565 -15.542 649 H4* U 336 H4* U 336 14.708 -13.797 -13.747 650 H3* U 336 H3* U 336 16.274 -11.253 -13.913 651 H2* U 336 H2* U 336 15.134 -10.363 -12.025 652 2HO* U 336 2HO* U 336 13.418 -11.899 -11.149 653 H1* U 336 H1* U 336 15.543 -12.708 -10.508 654 H3 U 336 H3 U 336 18.028 -9.443 -8.497 655 H5 U 336 H5 U 336 20.358 -10.722 -11.732 656 H6 U 336 H6 U 336 18.426 -12.034 -12.479 657 1H5* C 337 1H5* C 337 12.333 -9.753 -13.443 658 2H5* C 337 2H5* C 337 12.208 -8.264 -14.381 659 H4* C 337 H4* C 337 11.953 -7.992 -11.908 660 H3* C 337 H3* C 337 14.020 -6.448 -13.453 661 H2* C 337 H2* C 337 14.685 -5.326 -11.509 662 2HO* C 337 2HO* C 337 13.106 -5.781 -9.606 663 H1* C 337 H1* C 337 14.258 -7.733 -9.912 664 1H4 C 337 1H4 C 337 20.541 -6.475 -9.707 665 2H4 C 337 2H4 C 337 20.722 -7.403 -11.179 666 H5 C 337 H5 C 337 18.909 -8.257 -12.428 667 H6 C 337 H6 C 337 16.450 -8.435 -12.573 668 1H5* G 338 1H5* G 338 11.601 -3.189 -12.445 669 2H5* G 338 2H5* G 338 11.510 -2.013 -13.755 670 H4* G 338 H4* G 338 12.819 -1.035 -12.049 671 H3* G 338 H3* G 338 14.438 -1.972 -14.399 672 H2* G 338 H2* G 338 16.411 -1.141 -13.411 673 2HO* G 338 2HO* G 338 15.113 0.746 -12.717 674 H1* G 338 H1* G 338 15.567 -2.102 -10.811 675 H8 G 338 H8 G 338 15.478 -4.832 -13.272 676 H1 G 338 H1 G 338 21.464 -3.654 -11.114 677 1H2 G 338 1H2 G 338 21.485 -1.870 -10.080 678 2H2 G 338 2H2 G 338 20.088 -0.846 -9.833 679 1H5* G 339 1H5* G 339 16.686 1.006 -13.892 680 2H5* G 339 2H5* G 339 16.898 1.804 -15.451 681 H4* G 339 H4* G 339 18.926 0.655 -14.410 682 H3* G 339 H3* G 339 18.053 0.430 -17.252 683 H2* G 339 H2* G 339 19.175 -1.530 -17.523 684 2HO* G 339 2HO* G 339 21.539 -1.209 -16.771 685 H1* G 339 H1* G 339 20.112 -1.242 -14.624 686 H8 G 339 H8 G 339 20.907 -3.474 -13.809 687 H1 G 339 H1 G 339 17.560 -6.701 -18.312 688 1H2 G 339 1H2 G 339 16.460 -5.369 -19.439 689 2H2 G 339 2H2 G 339 16.446 -3.636 -19.199 690 1H5* A 340 1H5* A 340 19.620 4.134 -15.419 691 2H5* A 340 2H5* A 340 20.405 4.415 -13.864 692 H4* A 340 H4* A 340 17.801 4.886 -14.339 693 H3* A 340 H3* A 340 19.231 4.194 -11.790 694 H2* A 340 H2* A 340 17.168 4.259 -10.607 695 2HO* A 340 2HO* A 340 15.606 5.499 -11.509 696 H1* A 340 H1* A 340 15.880 2.672 -12.580 697 H8 A 340 H8 A 340 19.026 0.965 -12.061 698 1H6 A 340 1H6 A 340 16.765 -1.408 -6.750 699 2H6 A 340 2H6 A 340 18.061 -1.530 -7.919 700 H2 A 340 H2 A 340 14.047 1.843 -8.088 701 1H5* A 341 1H5* A 341 16.163 7.327 -10.961 702 2H5* A 341 2H5* A 341 16.811 8.258 -9.612 703 H4* A 341 H4* A 341 14.595 7.131 -9.218 704 H3* A 341 H3* A 341 16.943 6.707 -7.376 705 H2* A 341 H2* A 341 15.534 5.491 -5.906 706 2HO* A 341 2HO* A 341 13.823 7.137 -7.065 707 H1* A 341 H1* A 341 14.388 3.972 -7.978 708 H8 A 341 H8 A 341 18.000 4.291 -8.690 709 1H6 A 341 1H6 A 341 18.950 -0.480 -4.782 710 2H6 A 341 2H6 A 341 19.708 0.536 -5.987 711 H2 A 341 H2 A 341 14.736 0.857 -4.343 712 1H5* C 342 1H5* C 342 14.300 8.124 -5.102 713 2H5* C 342 2H5* C 342 14.442 9.618 -4.176 714 H4* C 342 H4* C 342 13.936 7.920 -2.624 715 H3* C 342 H3* C 342 16.765 8.861 -2.534 716 H2* C 342 H2* C 342 17.319 7.307 -0.816 717 2HO* C 342 2HO* C 342 14.993 5.931 -0.638 718 H1* C 342 H1* C 342 16.261 5.128 -2.185 719 1H4 C 342 1H4 C 342 22.472 5.528 -3.778 720 2H4 C 342 2H4 C 342 21.965 6.283 -5.273 721 H5 C 342 H5 C 342 19.739 6.923 -5.734 722 H6 C 342 H6 C 342 17.429 6.997 -4.867 723 1H5* A 343 1H5* A 343 15.861 8.638 1.344 724 2H5* A 343 2H5* A 343 16.228 10.096 2.264 725 H4* A 343 H4* A 343 17.402 8.247 3.232 726 H3* A 343 H3* A 343 19.123 10.263 1.817 727 H2* A 343 H2* A 343 21.072 9.103 2.543 728 2HO* A 343 2HO* A 343 20.451 8.455 4.569 729 H1* A 343 H1* A 343 20.127 6.620 1.690 730 H8 A 343 H8 A 343 19.063 9.286 -0.701 731 1H6 A 343 1H6 A 343 24.564 8.493 -3.541 732 2H6 A 343 2H6 A 343 23.003 9.273 -3.667 733 H2 A 343 H2 A 343 24.621 6.201 0.265 734 1H5* C 344 1H5* C 344 20.471 10.981 6.061 735 2H5* C 344 2H5* C 344 21.097 12.630 6.069 736 H4* C 344 H4* C 344 22.823 10.892 6.452 737 H3* C 344 H3* C 344 23.067 12.790 4.133 738 H2* C 344 H2* C 344 25.209 11.886 3.625 739 2HO* C 344 2HO* C 344 25.682 11.646 5.902 740 H1* C 344 H1* C 344 24.266 9.230 3.797 741 1H4 C 344 1H4 C 344 24.198 10.553 -2.448 742 2H4 C 344 2H4 C 344 22.678 11.394 -2.243 743 H5 C 344 H5 C 344 21.657 11.776 -0.147 744 H6 C 344 H6 C 344 21.845 11.439 2.292 745 1H5* C 345 1H5* C 345 26.910 14.498 6.352 746 2H5* C 345 2H5* C 345 27.314 15.608 5.042 747 H4* C 345 H4* C 345 28.509 13.194 5.515 748 H3* C 345 H3* C 345 28.377 14.926 3.057 749 H2* C 345 H2* C 345 29.666 13.318 1.877 750 2HO* C 345 2HO* C 345 31.102 12.539 3.325 751 H1* C 345 H1* C 345 28.105 11.160 2.756 752 1H4 C 345 1H4 C 345 25.887 13.025 -2.991 753 2H4 C 345 2H4 C 345 24.560 13.775 -2.134 754 H5 C 345 H5 C 345 24.447 13.960 0.218 755 H6 C 345 H6 C 345 25.594 13.464 2.348 756 1H5* C 346 1H5* C 346 32.296 13.793 2.365 757 2H5* C 346 2H5* C 346 33.135 15.344 2.355 758 H4* C 346 H4* C 346 33.515 14.192 0.273 759 H3* C 346 H3* C 346 31.754 16.639 0.054 760 H2* C 346 H2* C 346 31.874 16.447 -2.292 761 2HO* C 346 2HO* C 346 33.498 14.556 -2.888 762 H1* C 346 H1* C 346 31.686 13.560 -2.113 763 1H4 C 346 1H4 C 346 26.199 15.655 -4.690 764 2H4 C 346 2H4 C 346 25.550 15.773 -3.069 765 H5 C 346 H5 C 346 26.831 15.449 -1.112 766 H6 C 346 H6 C 346 29.073 14.925 -0.219 767 1H5* G 347 1H5* G 347 35.814 17.580 -1.504 768 2H5* G 347 2H5* G 347 36.195 19.298 -1.607 769 H4* G 347 H4* G 347 36.239 18.304 -3.805 770 H3* G 347 H3* G 347 34.056 20.293 -3.265 771 H2* G 347 H2* G 347 33.320 20.126 -5.516 772 2HO* G 347 2HO* G 347 35.156 19.895 -6.685 773 H1* G 347 H1* G 347 33.445 17.283 -5.450 774 H8 G 347 H8 G 347 31.827 18.512 -2.362 775 H1 G 347 H1 G 347 27.806 18.421 -7.433 776 1H2 G 347 1H2 G 347 28.885 18.107 -9.162 777 2H2 G 347 2H2 G 347 30.621 17.900 -9.228 778 1H5* G 348 1H5* G 348 36.460 22.380 -6.308 779 2H5* G 348 2H5* G 348 36.102 24.106 -6.260 780 H4* G 348 H4* G 348 35.225 22.837 -8.255 781 H3* G 348 H3* G 348 33.403 24.506 -6.522 782 H2* G 348 H2* G 348 31.678 24.184 -8.123 783 2HO* G 348 2HO* G 348 33.760 22.857 -9.609 784 H1* G 348 H1* G 348 32.262 21.403 -8.326 785 H8 G 348 H8 G 348 32.220 21.929 -4.768 786 H1 G 348 H1 G 348 26.246 22.343 -7.220 787 1H2 G 348 1H2 G 348 26.354 22.528 -9.270 788 2H2 G 348 2H2 G 348 27.843 22.565 -10.190 789 1H5* C 349 1H5* C 349 31.325 25.346 -9.702 790 2H5* C 349 2H5* C 349 31.574 27.079 -9.909 791 H4* C 349 H4* C 349 29.260 26.808 -9.663 792 H3* C 349 H3* C 349 30.539 27.797 -7.128 793 H2* C 349 H2* C 349 28.446 27.890 -6.070 794 2HO* C 349 2HO* C 349 26.791 28.440 -7.384 795 H1* C 349 H1* C 349 27.589 25.462 -7.432 796 1H4 C 349 1H4 C 349 27.954 23.996 -1.208 797 2H4 C 349 2H4 C 349 29.663 23.687 -1.423 798 H5 C 349 H5 C 349 30.838 24.122 -3.425 799 H6 C 349 H6 C 349 30.660 24.971 -5.737 800 1H5* C 350 1H5* C 350 28.390 31.609 -8.453 801 2H5* C 350 2H5* C 350 29.184 32.914 -7.572 802 H4* C 350 H4* C 350 26.813 32.356 -6.891 803 H3* C 350 H3* C 350 29.088 32.554 -4.940 804 H2* C 350 H2* C 350 27.610 32.155 -3.137 805 2HO* C 350 2HO* C 350 25.320 31.897 -4.695 806 H1* C 350 H1* C 350 26.283 30.064 -4.603 807 1H4 C 350 1H4 C 350 29.756 27.080 -0.144 808 2H4 C 350 2H4 C 350 31.165 27.235 -1.169 809 H5 C 350 H5 C 350 31.188 28.439 -3.200 810 H6 C 350 H6 C 350 29.849 29.804 -4.764 811 1H5* G 351 1H5* G 351 26.591 35.789 -3.346 812 2H5* G 351 2H5* G 351 27.609 37.227 -3.425 813 H4* G 351 H4* G 351 26.909 37.129 -1.204 814 H3* G 351 H3* G 351 29.705 36.102 -1.525 815 H2* G 351 H2* G 351 29.870 35.684 0.806 816 2HO* G 351 2HO* G 351 27.299 36.984 0.793 817 H1* G 351 H1* G 351 27.440 34.333 0.958 818 H8 G 351 H8 G 351 29.510 33.849 -2.198 819 H1 G 351 H1 G 351 30.569 29.475 2.453 820 1H2 G 351 1H2 G 351 29.538 30.015 4.154 821 2H2 G 351 2H2 G 351 28.534 31.440 4.300 822 1H5* C 352 1H5* C 352 29.924 39.133 1.425 823 2H5* C 352 2H5* C 352 31.466 39.989 1.460 824 H4* C 352 H4* C 352 31.048 38.751 3.529 825 H3* C 352 H3* C 352 33.416 38.020 1.843 826 H2* C 352 H2* C 352 34.090 36.387 3.429 827 2HO* C 352 2HO* C 352 33.420 36.736 5.486 828 H1* C 352 H1* C 352 31.438 35.369 3.655 829 1H4 C 352 1H4 C 352 34.426 31.176 -0.114 830 2H4 C 352 2H4 C 352 34.294 32.292 -1.454 831 H5 C 352 H5 C 352 33.435 34.483 -1.262 832 H6 C 352 H6 C 352 32.480 36.160 0.280 833 1H5* A 353 1H5* A 353 35.276 40.912 5.159 834 2H5* A 353 2H5* A 353 36.529 41.798 4.290 835 H4* A 353 H4* A 353 37.476 40.461 6.087 836 H3* A 353 H3* A 353 38.236 39.841 3.266 837 H2* A 353 H2* A 353 39.641 38.053 3.953 838 2HO* A 353 2HO* A 353 39.651 37.818 6.441 839 H1* A 353 H1* A 353 37.697 36.903 5.599 840 H8 A 353 H8 A 353 36.706 38.482 2.266 841 1H6 A 353 1H6 A 353 36.850 32.666 0.005 842 2H6 A 353 2H6 A 353 36.470 34.329 -0.383 843 H2 A 353 H2 A 353 38.245 32.554 4.223 844 1H5* A 354 1H5* A 354 41.521 39.915 5.719 845 2H5* A 354 2H5* A 354 42.994 40.664 5.107 846 H4* A 354 H4* A 354 43.540 38.451 5.766 847 H3* A 354 H3* A 354 43.465 38.884 2.802 848 H2* A 354 H2* A 354 44.110 36.633 2.412 849 2HO* A 354 2HO* A 354 45.495 36.831 4.364 850 H1* A 354 H1* A 354 42.213 35.601 4.213 851 H8 A 354 H8 A 354 40.750 38.425 2.271 852 1H6 A 354 1H6 A 354 39.328 34.257 -2.150 853 2H6 A 354 2H6 A 354 39.089 35.910 -1.631 854 H2 A 354 H2 A 354 41.959 32.276 0.833 855 1H5* C 355 1H5* C 355 47.244 37.085 3.050 856 2H5* C 355 2H5* C 355 48.400 38.179 2.289 857 H4* C 355 H4* C 355 48.628 36.153 1.142 858 H3* C 355 H3* C 355 46.998 38.135 -0.421 859 H2* C 355 H2* C 355 46.853 36.601 -2.231 860 2HO* C 355 2HO* C 355 48.272 34.598 -0.868 861 H1* C 355 H1* C 355 46.158 34.457 -0.511 862 1H4 C 355 1H4 C 355 40.616 36.423 -3.007 863 2H4 C 355 2H4 C 355 40.558 37.711 -1.825 864 H5 C 355 H5 C 355 42.302 38.182 -0.304 865 H6 C 355 H6 C 355 44.556 37.526 0.463 866 1H5* C 356 1H5* C 356 50.652 37.050 -2.237 867 2H5* C 356 2H5* C 356 51.379 37.914 -3.592 868 H4* C 356 H4* C 356 50.541 35.773 -4.324 869 H3* C 356 H3* C 356 49.067 38.181 -5.380 870 H2* C 356 H2* C 356 47.835 36.745 -6.819 871 2HO* C 356 2HO* C 356 49.097 34.429 -5.849 872 H1* C 356 H1* C 356 47.312 34.903 -4.735 873 1H4 C 356 1H4 C 356 41.980 38.385 -5.113 874 2H4 C 356 2H4 C 356 42.773 39.689 -4.255 875 H5 C 356 H5 C 356 45.055 39.665 -3.647 876 H6 C 356 H6 C 356 47.159 38.374 -3.712 877 1H5* C 357 1H5* C 357 50.638 35.873 -8.046 878 2H5* C 357 2H5* C 357 52.024 36.218 -9.081 879 H4* C 357 H4* C 357 50.746 35.109 -10.583 880 H3* C 357 H3* C 357 49.956 37.984 -10.784 881 H2* C 357 H2* C 357 48.246 37.487 -12.345 882 2HO* C 357 2HO* C 357 49.402 34.853 -12.172 883 H1* C 357 H1* C 357 47.109 35.455 -10.883 884 1H4 C 357 1H4 C 357 44.253 40.765 -8.746 885 2H4 C 357 2H4 C 357 45.496 40.905 -7.522 886 H5 C 357 H5 C 357 47.395 39.506 -7.410 887 H6 C 357 H6 C 357 48.581 37.609 -8.454 888 1H5* U 358 1H5* U 358 49.005 36.851 -14.471 889 2H5* U 358 2H5* U 358 50.123 37.689 -15.548 890 H4* U 358 H4* U 358 48.039 38.225 -16.408 891 H3* U 358 H3* U 358 48.973 40.469 -14.626 892 H2* U 358 H2* U 358 47.081 41.739 -15.303 893 2HO* U 358 2HO* U 358 47.318 40.864 -17.483 894 H1* U 358 H1* U 358 45.327 39.548 -14.925 895 H3 U 358 H3 U 358 43.892 42.292 -11.649 896 H5 U 358 H5 U 358 47.707 41.156 -10.351 897 H6 U 358 H6 U 358 47.994 40.018 -12.504 898 1H5* G 359 1H5* G 359 48.753 41.517 -18.711 899 2H5* G 359 2H5* G 359 49.633 42.877 -19.408 900 H4* G 359 H4* G 359 47.249 43.254 -19.546 901 H3* G 359 H3* G 359 48.764 45.068 -17.673 902 H2* G 359 H2* G 359 46.792 46.357 -17.386 903 2HO* G 359 2HO* G 359 46.138 46.249 -19.555 904 H1* G 359 H1* G 359 45.176 44.063 -17.033 905 H8 G 359 H8 G 359 48.360 43.649 -15.172 906 H1 G 359 H1 G 359 44.031 47.278 -12.014 907 1H2 G 359 1H2 G 359 42.474 47.751 -13.280 908 2H2 G 359 2H2 G 359 42.358 47.241 -14.950 909 1H5* G 360 1H5* G 360 47.232 47.094 -21.017 910 2H5* G 360 2H5* G 360 48.169 48.346 -21.833 911 H4* G 360 H4* G 360 46.151 49.387 -21.333 912 H3* G 360 H3* G 360 48.241 50.118 -19.300 913 H2* G 360 H2* G 360 46.700 51.589 -18.244 914 2HO* G 360 2HO* G 360 45.852 52.165 -20.374 915 H1* G 360 H1* G 360 44.654 49.697 -18.160 916 H8 G 360 H8 G 360 47.931 48.010 -17.580 917 H1 G 360 H1 G 360 45.496 50.798 -12.272 918 1H2 G 360 1H2 G 360 43.888 51.980 -12.791 919 2H2 G 360 2H2 G 360 43.289 52.185 -14.421 920 1H5* G 361 1H5* G 361 47.621 53.480 -22.048 921 2H5* G 361 2H5* G 361 48.946 54.601 -22.360 922 H4* G 361 H4* G 361 47.389 55.768 -21.030 923 H3* G 361 H3* G 361 49.812 54.884 -19.493 924 H2* G 361 H2* G 361 49.000 55.983 -17.550 925 2HO* G 361 2HO* G 361 47.203 57.416 -17.831 926 H1* G 361 H1* G 361 46.427 54.883 -17.797 927 H8 G 361 H8 G 361 48.987 52.327 -18.688 928 H1 G 361 H1 G 361 48.077 52.927 -12.308 929 1H2 G 361 1H2 G 361 46.925 54.595 -11.930 930 2H2 G 361 2H2 G 361 46.299 55.672 -13.159 931 1H5* A 362 1H5* A 362 49.487 59.077 -20.147 932 2H5* A 362 2H5* A 362 50.847 60.185 -20.329 933 H4* A 362 H4* A 362 49.632 60.929 -18.454 934 H3* A 362 H3* A 362 52.165 59.498 -17.705 935 H2* A 362 H2* A 362 51.768 59.967 -15.413 936 2HO* A 362 2HO* A 362 49.682 61.323 -15.123 937 H1* A 362 H1* A 362 49.123 59.103 -15.472 938 H8 A 362 H8 A 362 50.936 56.832 -17.737 939 1H6 A 362 1H6 A 362 52.785 53.639 -12.702 940 2H6 A 362 2H6 A 362 52.708 53.610 -14.450 941 H2 A 362 H2 A 362 50.962 57.455 -11.337 942 1H5* G 363 1H5* G 363 51.787 62.693 -14.956 943 2H5* G 363 2H5* G 363 53.423 63.274 -14.648 944 H4* G 363 H4* G 363 52.027 62.169 -12.742 945 H3* G 363 H3* G 363 54.958 61.806 -13.291 946 H2* G 363 H2* G 363 55.152 60.383 -11.405 947 2HO* G 363 2HO* G 363 53.802 61.068 -9.850 948 H1* G 363 H1* G 363 52.954 58.818 -12.065 949 H8 G 363 H8 G 363 54.453 59.654 -15.309 950 H1 G 363 H1 G 363 57.824 55.126 -12.145 951 1H2 G 363 1H2 G 363 57.174 55.024 -10.191 952 2H2 G 363 2H2 G 363 55.906 56.017 -9.510 953 1H5* A 364 1H5* A 364 57.414 63.218 -10.806 954 2H5* A 364 2H5* A 364 55.825 62.755 -10.197 955 H4* A 364 H4* A 364 57.563 64.971 -9.087 956 H3* A 364 H3* A 364 57.140 62.121 -8.197 957 H2* A 364 H2* A 364 57.458 62.813 -5.953 958 2HO* A 364 2HO* A 364 58.047 65.380 -7.118 959 H1* A 364 H1* A 364 55.798 65.094 -6.284 960 H8 A 364 H8 A 364 53.945 62.393 -7.854 961 1H6 A 364 1H6 A 364 52.199 60.454 -2.184 962 2H6 A 364 2H6 A 364 51.898 60.276 -3.898 963 H2 A 364 H2 A 364 55.464 63.427 -1.692 964 1H5* G 365 1H5* G 365 59.138 59.207 -9.806 965 2H5* G 365 2H5* G 365 58.129 58.667 -8.464 966 H4* G 365 H4* G 365 60.767 57.981 -8.929 967 H3* G 365 H3* G 365 58.783 57.185 -7.142 968 H2* G 365 H2* G 365 59.456 58.570 -5.370 969 2HO* G 365 2HO* G 365 59.782 56.538 -4.561 970 H1* G 365 H1* G 365 62.320 58.162 -6.401 971 H8 G 365 H8 G 365 60.928 61.570 -5.928 972 H1 G 365 H1 G 365 64.634 59.635 -0.987 973 1H2 G 365 1H2 G 365 65.035 57.621 -1.175 974 2H2 G 365 2H2 G 365 64.453 56.607 -2.477 975 1H5* G 366 1H5* G 366 57.656 54.272 -6.463 976 2H5* G 366 2H5* G 366 58.937 54.969 -5.472 977 H4* G 366 H4* G 366 58.419 52.004 -5.781 978 H3* G 366 H3* G 366 56.800 53.680 -4.315 979 H2* G 366 H2* G 366 58.441 54.357 -2.760 980 2HO* G 366 2HO* G 366 57.938 51.942 -1.463 981 H1* G 366 H1* G 366 59.496 51.479 -2.901 982 H8 G 366 H8 G 366 61.493 54.642 -3.410 983 H1 G 366 H1 G 366 62.646 51.635 2.205 984 1H2 G 366 1H2 G 366 61.290 50.103 2.455 985 2H2 G 366 2H2 G 366 60.029 49.693 1.315 986 1H5* U 367 1H5* U 367 54.997 53.673 -3.145 987 2H5* U 367 2H5* U 367 53.667 52.533 -3.351 988 H4* U 367 H4* U 367 53.237 55.107 -3.410 989 H3* U 367 H3* U 367 51.975 53.014 -5.155 990 H2* U 367 H2* U 367 50.650 54.678 -6.212 991 2HO* U 367 2HO* U 367 50.198 56.374 -4.927 992 H1* U 367 H1* U 367 52.794 56.397 -6.665 993 H3 U 367 H3 U 367 52.209 54.870 -10.856 994 H5 U 367 H5 U 367 53.620 51.499 -8.811 995 H6 U 367 H6 U 367 53.501 52.822 -6.750 996 1H5* C 368 1H5* C 368 49.264 55.144 -3.644 997 2H5* C 368 2H5* C 368 47.732 54.635 -2.936 998 H4* C 368 H4* C 368 47.224 55.979 -4.818 999 H3* C 368 H3* C 368 46.791 53.040 -5.366 1000 H2* C 368 H2* C 368 45.785 53.626 -7.424 1001 2HO* C 368 2HO* C 368 46.048 56.328 -6.461 1002 H1* C 368 H1* C 368 47.778 55.617 -7.947 1003 1H4 C 368 1H4 C 368 49.264 50.743 -11.798 1004 2H4 C 368 2H4 C 368 50.004 49.917 -10.444 1005 H5 C 368 H5 C 368 49.932 50.710 -8.221 1006 H6 C 368 H6 C 368 49.126 52.509 -6.734 1007 1H5* C 369 1H5* C 369 43.395 55.111 -5.159 1008 2H5* C 369 2H5* C 369 41.823 54.690 -4.478 1009 H4* C 369 H4* C 369 41.268 54.809 -6.680 1010 H3* C 369 H3* C 369 42.154 51.958 -6.244 1011 H2* C 369 H2* C 369 41.552 51.473 -8.485 1012 2HO* C 369 2HO* C 369 39.965 52.727 -9.327 1013 H1* C 369 H1* C 369 42.779 53.837 -9.465 1014 1H4 C 369 1H4 C 369 47.262 49.503 -10.703 1015 2H4 C 369 2H4 C 369 47.369 49.080 -9.010 1016 H5 C 369 H5 C 369 46.013 50.032 -7.327 1017 H6 C 369 H6 C 369 44.202 51.641 -6.850 1018 1H5* C 370 1H5* C 370 38.407 52.418 -7.486 1019 2H5* C 370 2H5* C 370 36.993 51.399 -7.224 1020 H4* C 370 H4* C 370 37.375 51.269 -9.515 1021 H3* C 370 H3* C 370 38.549 48.849 -8.153 1022 H2* C 370 H2* C 370 39.022 47.929 -10.290 1023 2HO* C 370 2HO* C 370 36.967 48.799 -11.069 1024 H1* C 370 H1* C 370 40.075 50.388 -11.244 1025 1H4 C 370 1H4 C 370 45.301 47.050 -9.785 1026 2H4 C 370 2H4 C 370 44.937 47.200 -8.081 1027 H5 C 370 H5 C 370 42.982 48.220 -7.236 1028 H6 C 370 H6 C 370 40.872 49.360 -7.826 1029 1H5* A 371 1H5* A 371 34.515 47.427 -10.095 1030 2H5* A 371 2H5* A 371 34.128 45.840 -9.430 1031 H4* A 371 H4* A 371 34.493 45.879 -11.895 1032 H3* A 371 H3* A 371 36.094 44.078 -10.104 1033 H2* A 371 H2* A 371 37.153 43.114 -12.006 1034 2HO* A 371 2HO* A 371 36.013 43.237 -13.868 1035 H1* A 371 H1* A 371 37.826 45.572 -13.119 1036 H8 A 371 H8 A 371 38.163 46.042 -9.482 1037 1H6 A 371 1H6 A 371 43.769 43.326 -9.865 1038 2H6 A 371 2H6 A 371 42.704 44.236 -8.818 1039 H2 A 371 H2 A 371 41.665 42.723 -13.732 1040 1H5* G 372 1H5* G 372 34.579 41.599 -13.337 1041 2H5* G 372 2H5* G 372 33.668 40.309 -12.552 1042 H4* G 372 H4* G 372 35.030 39.232 -14.120 1043 H3* G 372 H3* G 372 36.082 38.975 -11.329 1044 H2* G 372 H2* G 372 37.914 37.663 -12.092 1045 2HO* G 372 2HO* G 372 36.936 36.494 -13.704 1046 H1* G 372 H1* G 372 38.551 39.486 -14.139 1047 H8 G 372 H8 G 372 37.621 41.397 -11.103 1048 H1 G 372 H1 G 372 43.689 39.156 -10.916 1049 1H2 G 372 1H2 G 372 43.973 37.806 -12.448 1050 2H2 G 372 2H2 G 372 42.748 37.348 -13.611 1051 1H5* G 373 1H5* G 373 35.389 35.397 -12.996 1052 2H5* G 373 2H5* G 373 34.697 33.964 -12.236 1053 H4* G 373 H4* G 373 36.929 33.459 -12.916 1054 H3* G 373 H3* G 373 36.553 33.714 -9.943 1055 H2* G 373 H2* G 373 38.800 33.022 -9.608 1056 2HO* G 373 2HO* G 373 38.758 32.672 -12.467 1057 H1* G 373 H1* G 373 39.826 34.783 -11.525 1058 H8 G 373 H8 G 373 37.140 36.638 -9.835 1059 H1 G 373 H1 G 373 42.514 36.276 -6.249 1060 1H2 G 373 1H2 G 373 43.798 34.888 -7.070 1061 2H2 G 373 2H2 G 373 43.469 33.961 -8.516 1062 1H5* G 374 1H5* G 374 37.898 30.209 -11.229 1063 2H5* G 374 2H5* G 374 37.460 28.590 -10.689 1064 H4* G 374 H4* G 374 39.750 28.622 -10.397 1065 H3* G 374 H3* G 374 38.390 29.243 -7.797 1066 H2* G 374 H2* G 374 40.486 29.433 -6.702 1067 2HO* G 374 2HO* G 374 41.454 28.549 -9.268 1068 H1* G 374 H1* G 374 41.567 31.054 -8.756 1069 H8 G 374 H8 G 374 38.091 32.112 -7.976 1070 H1 G 374 H1 G 374 42.460 34.475 -3.830 1071 1H2 G 374 1H2 G 374 44.272 33.537 -4.129 1072 2H2 G 374 2H2 G 374 44.565 32.296 -5.326 1073 1H5* U 375 1H5* U 375 41.676 26.300 -6.716 1074 2H5* U 375 2H5* U 375 40.690 25.067 -5.929 1075 H4* U 375 H4* U 375 42.488 25.539 -4.471 1076 H3* U 375 H3* U 375 39.859 26.657 -3.577 1077 H2* U 375 H2* U 375 40.852 27.559 -1.610 1078 2HO* U 375 2HO* U 375 43.415 26.669 -2.416 1079 H1* U 375 H1* U 375 42.963 28.741 -3.052 1080 H3 U 375 H3 U 375 40.705 32.437 -1.813 1081 H5 U 375 H5 U 375 38.119 30.607 -4.552 1082 H6 U 375 H6 U 375 39.679 28.717 -4.614 1083 1H5* U 376 1H5* U 376 41.730 24.517 -0.371 1084 2H5* U 376 2H5* U 376 40.585 23.775 0.747 1085 H4* U 376 H4* U 376 42.083 25.371 1.855 1086 H3* U 376 H3* U 376 39.127 25.922 1.855 1087 H2* U 376 H2* U 376 39.481 27.790 3.281 1088 2HO* U 376 2HO* U 376 41.124 27.307 4.619 1089 H1* U 376 H1* U 376 41.569 28.813 1.719 1090 H3 U 376 H3 U 376 37.989 31.622 1.196 1091 H5 U 376 H5 U 376 37.336 28.507 -1.526 1092 H6 U 376 H6 U 376 39.219 27.333 -0.484 1093 2H ALA 1 HN ALA 1 51.726 -17.967 16.320 1094 HA ALA 1 HA ALA 1 50.983 -15.464 16.645 1095 1HB ALA 1 1HB ALA 1 52.976 -14.624 17.583 1096 2HB ALA 1 2HB ALA 1 54.003 -15.534 16.450 1097 3HB ALA 1 3HB ALA 1 53.076 -14.127 15.877 1098 H THR 2 HN THR 2 51.157 -14.096 14.505 1099 HA THR 2 HA THR 2 50.794 -14.002 12.314 1100 HB THR 2 HB THR 2 52.891 -16.214 12.456 1101 HG1 THR 2 HG1 THR 2 52.843 -13.514 11.331 1102 1HG2 THR 2 1HG2 THR 2 51.891 -16.656 10.311 1103 2HG2 THR 2 2HG2 THR 2 51.547 -14.932 10.034 1104 3HG2 THR 2 3HG2 THR 2 53.223 -15.529 9.961 1105 H VAL 3 HN VAL 3 49.195 -14.607 10.915 1106 HA VAL 3 HA VAL 3 47.924 -17.172 11.575 1107 HB VAL 3 HB VAL 3 45.845 -16.162 10.879 1108 1HG1 VAL 3 1HG1 VAL 3 46.035 -15.809 13.141 1109 2HG1 VAL 3 2HG1 VAL 3 47.504 -14.817 12.979 1110 3HG1 VAL 3 3HG1 VAL 3 45.913 -14.124 12.579 1111 1HG2 VAL 3 1HG2 VAL 3 46.093 -14.616 9.234 1112 2HG2 VAL 3 2HG2 VAL 3 46.099 -13.487 10.609 1113 3HG2 VAL 3 3HG2 VAL 3 47.636 -14.010 9.881 1114 H VAL 4 HN VAL 4 47.065 -18.445 9.805 1115 HA VAL 4 HA VAL 4 48.468 -17.855 7.292 1116 HB VAL 4 HB VAL 4 47.646 -20.452 8.599 1117 1HG1 VAL 4 1HG1 VAL 4 49.141 -21.144 6.388 1118 2HG1 VAL 4 2HG1 VAL 4 47.370 -21.251 6.517 1119 3HG1 VAL 4 3HG1 VAL 4 48.122 -19.823 5.767 1120 1HG2 VAL 4 1HG2 VAL 4 50.359 -19.323 7.828 1121 2HG2 VAL 4 2HG2 VAL 4 49.707 -19.474 9.477 1122 3HG2 VAL 4 3HG2 VAL 4 50.067 -20.934 8.524 1123 H SER 5 HN SER 5 45.678 -19.993 8.167 1124 HA SER 5 HA SER 5 44.351 -19.431 5.812 1125 1HB SER 5 2HB SER 5 42.384 -20.507 6.949 1126 2HB SER 5 3HB SER 5 43.859 -21.445 7.072 1127 HG SER 5 HG SER 5 44.039 -20.038 9.221 1128 H GLY 6 HN GLY 6 42.740 -17.922 5.247 1129 1HA GLY 6 1HA GLY 6 41.018 -16.493 6.666 1130 2HA GLY 6 2HA GLY 6 42.499 -15.630 7.032 1131 H GLN 7 HN GLN 7 39.894 -15.274 5.197 1132 HA GLN 7 HA GLN 7 41.450 -14.225 2.966 1133 1HB GLN 7 2HB GLN 7 39.328 -16.186 2.908 1134 2HB GLN 7 3HB GLN 7 38.763 -14.739 2.100 1135 1HG GLN 7 2HG GLN 7 40.756 -14.729 0.635 1136 2HG GLN 7 3HG GLN 7 41.432 -16.099 1.495 1137 1HE2 GLN 7 1HE2 GLN 7 41.314 -16.556 -1.006 1138 2HE2 GLN 7 2HE2 GLN 7 39.983 -17.545 -1.509 1139 H LYS 8 HN LYS 8 38.000 -14.073 4.115 1140 HA LYS 8 HA LYS 8 36.644 -12.348 4.404 1141 1HB LYS 8 2HB LYS 8 39.139 -11.617 5.856 1142 2HB LYS 8 3HB LYS 8 37.950 -10.346 5.649 1143 1HG LYS 8 2HG LYS 8 36.191 -12.020 6.523 1144 2HG LYS 8 3HG LYS 8 37.526 -13.068 6.957 1145 1HD LYS 8 2HD LYS 8 38.497 -11.031 8.249 1146 2HD LYS 8 3HD LYS 8 36.929 -10.280 8.029 1147 1HE LYS 8 2HE LYS 8 36.959 -13.094 9.103 1148 2HE LYS 8 3HE LYS 8 37.512 -11.825 10.179 1149 1HZ LYS 8 1HZ LYS 8 35.413 -10.647 9.589 1150 2HZ LYS 8 2HZ LYS 8 34.901 -12.015 8.859 1151 3HZ LYS 8 3HZ LYS 8 35.216 -12.013 10.462 1152 H GLN 9 HN GLN 9 35.980 -11.665 2.397 1153 HA GLN 9 HA GLN 9 37.780 -10.021 0.877 1154 1HB GLN 9 2HB GLN 9 35.667 -11.823 0.270 1155 2HB GLN 9 3HB GLN 9 35.100 -10.248 -0.247 1156 1HG GLN 9 2HG GLN 9 37.382 -9.948 -1.416 1157 2HG GLN 9 3HG GLN 9 37.677 -11.645 -1.088 1158 1HE2 GLN 9 1HE2 GLN 9 37.065 -13.057 -2.536 1159 2HE2 GLN 9 2HE2 GLN 9 35.891 -12.832 -3.789 1160 H ASP 10 HN ASP 10 37.173 -7.860 0.071 1161 HA ASP 10 HA ASP 10 34.918 -6.606 1.253 1162 1HB ASP 10 2HB ASP 10 37.150 -6.600 2.851 1163 2HB ASP 10 3HB ASP 10 37.464 -5.165 1.896 1164 H ARG 11 HN ARG 11 34.827 -4.226 0.455 1165 HA ARG 11 HA ARG 11 36.696 -3.622 -1.628 1166 1HB ARG 11 2HB ARG 11 34.488 -5.011 -2.430 1167 2HB ARG 11 3HB ARG 11 33.815 -3.393 -2.465 1168 1HG ARG 11 2HG ARG 11 35.166 -2.708 -4.220 1169 2HG ARG 11 3HG ARG 11 36.522 -3.692 -3.707 1170 1HD ARG 11 2HD ARG 11 34.329 -5.444 -4.454 1171 2HD ARG 11 3HD ARG 11 34.592 -4.288 -5.744 1172 HE ARG 11 HE ARG 11 37.049 -5.526 -4.683 1173 1HH1 ARG 11 2HH2 ARG 11 34.503 -5.677 -7.107 1174 2HH1 ARG 11 1HH2 ARG 11 35.427 -6.652 -8.201 1175 1HH2 ARG 11 2HH1 ARG 11 38.268 -6.812 -6.126 1176 2HH2 ARG 11 1HH1 ARG 11 37.583 -7.301 -7.639 1177 H GLN 12 HN GLN 12 37.271 -1.582 -0.913 1178 HA GLN 12 HA GLN 12 35.543 0.525 -1.119 1179 1HB GLN 12 2HB GLN 12 34.918 -0.849 1.209 1180 2HB GLN 12 3HB GLN 12 36.018 0.379 1.804 1181 1HG GLN 12 2HG GLN 12 34.552 2.011 0.288 1182 2HG GLN 12 3HG GLN 12 33.356 0.735 0.406 1183 1HE2 GLN 12 1HE2 GLN 12 32.019 2.172 1.549 1184 2HE2 GLN 12 2HE2 GLN 12 32.249 2.506 3.234 1185 H GLY 13 HN GLY 13 36.835 2.317 -1.384 1186 1HA GLY 13 1HA GLY 13 39.652 2.037 -0.652 1187 2HA GLY 13 2HA GLY 13 38.949 3.193 -1.765 1188 H GLY 14 HN GLY 14 40.736 4.207 0.025 1189 1HA GLY 14 1HA GLY 14 39.004 5.810 1.770 1190 2HA GLY 14 2HA GLY 14 40.350 4.950 2.490 1191 H GLU 15 HN GLU 15 39.992 7.857 2.383 1192 HA GLU 15 HA GLU 15 42.466 8.444 0.994 1193 1HB GLU 15 2HB GLU 15 40.028 9.195 -0.098 1194 2HB GLU 15 3HB GLU 15 40.466 10.625 0.814 1195 1HG GLU 15 2HG GLU 15 41.899 11.208 -0.839 1196 2HG GLU 15 3HG GLU 15 42.863 9.790 -0.476 1197 H ARG 16 HN ARG 16 43.846 9.232 2.518 1198 HA ARG 16 HA ARG 16 43.258 11.443 4.023 1199 1HB ARG 16 2HB ARG 16 41.757 9.818 5.275 1200 2HB ARG 16 3HB ARG 16 43.175 8.874 5.685 1201 1HG ARG 16 2HG ARG 16 43.258 11.815 6.319 1202 2HG ARG 16 3HG ARG 16 42.209 10.816 7.305 1203 1HD ARG 16 2HD ARG 16 44.154 9.278 7.774 1204 2HD ARG 16 3HD ARG 16 45.193 10.335 6.837 1205 HE ARG 16 HE ARG 16 43.909 11.977 8.750 1206 1HH1 ARG 16 2HH2 ARG 16 46.141 9.256 8.734 1207 2HH1 ARG 16 1HH2 ARG 16 46.903 9.708 10.222 1208 1HH2 ARG 16 2HH1 ARG 16 44.915 12.574 10.714 1209 2HH2 ARG 16 1HH1 ARG 16 46.201 11.608 11.356 1210 H ARG 17 HN ARG 17 45.191 12.222 5.043 1211 HA ARG 17 HA ARG 17 47.319 10.414 5.516 1212 1HB ARG 17 2HB ARG 17 47.166 11.824 2.954 1213 2HB ARG 17 3HB ARG 17 48.591 12.337 3.836 1214 1HG ARG 17 2HG ARG 17 49.461 10.109 3.969 1215 2HG ARG 17 3HG ARG 17 47.913 9.385 3.580 1216 1HD ARG 17 2HD ARG 17 48.261 10.874 1.322 1217 2HD ARG 17 3HD ARG 17 49.943 10.629 1.749 1218 HE ARG 17 HE ARG 17 49.717 8.310 1.333 1219 1HH1 ARG 17 2HH2 ARG 17 46.578 9.895 1.224 1220 2HH1 ARG 17 1HH2 ARG 17 45.769 8.530 0.529 1221 1HH2 ARG 17 2HH1 ARG 17 48.652 6.509 0.415 1222 2HH2 ARG 17 1HH1 ARG 17 46.957 6.591 0.066 1223 H ARG 18 HN ARG 18 47.329 13.890 4.463 1224 HA ARG 18 HA ARG 18 48.250 15.616 5.466 1225 1HB ARG 18 2HB ARG 18 45.966 14.677 7.196 1226 2HB ARG 18 3HB ARG 18 46.940 15.995 7.817 1227 1HG ARG 18 2HG ARG 18 46.251 17.478 6.169 1228 2HG ARG 18 3HG ARG 18 46.109 16.230 4.947 1229 1HD ARG 18 2HD ARG 18 44.156 15.626 6.963 1230 2HD ARG 18 3HD ARG 18 44.033 17.345 6.648 1231 HE ARG 18 HE ARG 18 44.116 16.407 4.108 1232 1HH1 ARG 18 2HH2 ARG 18 42.293 15.256 6.889 1233 2HH1 ARG 18 1HH2 ARG 18 40.986 14.635 5.937 1234 1HH2 ARG 18 2HH1 ARG 18 42.393 15.587 2.851 1235 2HH2 ARG 18 1HH1 ARG 18 41.044 14.824 3.623 1236 H SER 19 HN SER 19 50.263 14.019 5.778 1237 HA SER 19 HA SER 19 51.001 12.730 7.908 1238 1HB SER 19 2HB SER 19 52.365 13.761 5.834 1239 2HB SER 19 3HB SER 19 52.935 14.877 7.059 1240 HG SER 19 HG SER 19 54.297 12.961 6.823 1241 H GLN 20 HN GLN 20 49.317 13.962 9.423 1242 HA GLN 20 HA GLN 20 49.028 14.999 11.311 1243 1HB GLN 20 2HB GLN 20 52.033 14.970 11.210 1244 2HB GLN 20 3HB GLN 20 51.278 16.012 12.401 1245 1HG GLN 20 2HG GLN 20 50.169 14.182 13.478 1246 2HG GLN 20 3HG GLN 20 50.405 13.115 12.108 1247 1HE2 GLN 20 1HE2 GLN 20 51.225 11.688 13.792 1248 2HE2 GLN 20 2HE2 GLN 20 52.892 11.771 14.255 1249 H LEU 21 HN LEU 21 48.178 16.451 9.289 1250 HA LEU 21 HA LEU 21 49.517 18.948 9.005 1251 1HB LEU 21 2HB LEU 21 47.890 17.604 7.423 1252 2HB LEU 21 3HB LEU 21 46.653 18.516 8.267 1253 HG LEU 21 HG LEU 21 48.926 19.601 6.591 1254 1HD1 LEU 21 1HD1 LEU 21 46.932 20.685 5.404 1255 2HD1 LEU 21 2HD1 LEU 21 47.181 18.937 5.177 1256 3HD1 LEU 21 3HD1 LEU 21 45.925 19.518 6.297 1257 1HD2 LEU 21 1HD2 LEU 21 46.946 21.204 8.232 1258 2HD2 LEU 21 2HD2 LEU 21 48.669 20.980 8.619 1259 3HD2 LEU 21 3HD2 LEU 21 48.195 21.847 7.138 1260 H ASP 22 HN ASP 22 49.750 20.157 10.843 1261 HA ASP 22 HA ASP 22 47.717 20.191 12.799 1262 1HB ASP 22 2HB ASP 22 50.434 21.229 12.435 1263 2HB ASP 22 3HB ASP 22 49.408 22.443 13.171 1264 H ARG 23 HN ARG 23 46.401 22.109 13.389 1265 HA ARG 23 HA ARG 23 45.385 23.420 11.163 1266 1HB ARG 23 2HB ARG 23 45.085 23.984 14.154 1267 2HB ARG 23 3HB ARG 23 44.137 24.799 12.926 1268 1HG ARG 23 2HG ARG 23 44.225 21.768 13.298 1269 2HG ARG 23 3HG ARG 23 42.969 22.804 13.946 1270 1HD ARG 23 2HD ARG 23 43.412 23.299 11.073 1271 2HD ARG 23 3HD ARG 23 43.001 21.625 11.387 1272 HE ARG 23 HE ARG 23 41.225 23.262 12.909 1273 1HH1 ARG 23 2HH2 ARG 23 41.916 22.464 9.552 1274 2HH1 ARG 23 1HH2 ARG 23 40.295 22.760 9.015 1275 1HH2 ARG 23 2HH1 ARG 23 39.088 23.652 12.201 1276 2HH2 ARG 23 1HH1 ARG 23 38.676 23.441 10.532 1277 H ASP 24 HN ASP 24 48.257 23.937 12.902 1278 HA ASP 24 HA ASP 24 48.272 26.734 12.078 1279 1HB ASP 24 2HB ASP 24 48.376 26.194 14.616 1280 2HB ASP 24 3HB ASP 24 49.970 25.532 14.304 1281 H GLN 25 HN GLN 25 48.999 24.195 10.603 1282 HA GLN 25 HA GLN 25 51.857 24.715 10.321 1283 1HB GLN 25 2HB GLN 25 50.406 22.221 10.730 1284 2HB GLN 25 3HB GLN 25 51.280 22.162 9.212 1285 1HG GLN 25 2HG GLN 25 53.353 22.969 10.460 1286 2HG GLN 25 3HG GLN 25 52.453 22.812 11.955 1287 1HE2 GLN 25 1HE2 GLN 25 52.706 21.007 13.007 1288 2HE2 GLN 25 2HE2 GLN 25 53.117 19.454 12.356 1289 H CYS 26 HN CYS 26 52.631 23.934 7.988 1290 HA CYS 26 HA CYS 26 50.785 25.215 6.138 1291 1HB CYS 26 2HB CYS 26 53.111 26.090 6.323 1292 2HB CYS 26 3HB CYS 26 53.723 24.545 5.765 1293 H ALA 27 HN ALA 27 49.850 24.057 4.433 1294 HA ALA 27 HA ALA 27 50.287 21.180 4.499 1295 1HB ALA 27 1HB ALA 27 48.195 21.071 3.267 1296 2HB ALA 27 2HB ALA 27 47.988 22.178 4.646 1297 3HB ALA 27 3HB ALA 27 48.212 22.832 3.006 1298 H TYR 28 HN TYR 28 52.217 23.281 3.352 1299 HA TYR 28 HA TYR 28 52.326 22.114 0.652 1300 1HB TYR 28 2HB TYR 28 51.660 24.616 0.916 1301 2HB TYR 28 3HB TYR 28 53.223 24.884 1.661 1302 HD1 TYR 28 HD1 TYR 28 51.414 24.699 -1.429 1303 HD2 TYR 28 HD2 TYR 28 55.328 24.361 0.266 1304 HE1 TYR 28 HE1 TYR 28 52.448 25.087 -3.719 1305 HE2 TYR 28 HE2 TYR 28 56.348 24.750 -2.030 1306 HH TYR 28 HH TYR 28 55.715 24.479 -4.347 1307 H CYS 29 HN CYS 29 54.373 24.046 2.962 1308 HA CYS 29 HA CYS 29 56.615 22.375 2.171 1309 1HB CYS 29 2HB CYS 29 58.010 24.064 3.291 1310 2HB CYS 29 3HB CYS 29 56.987 24.776 2.057 1311 H LYS 30 HN LYS 30 54.240 22.889 4.682 1312 HA LYS 30 HA LYS 30 53.832 21.418 6.370 1313 1HB LYS 30 2HB LYS 30 56.767 20.664 6.337 1314 2HB LYS 30 3HB LYS 30 55.489 19.877 7.242 1315 1HG LYS 30 2HG LYS 30 55.264 20.142 4.227 1316 2HG LYS 30 3HG LYS 30 56.252 18.871 4.920 1317 1HD LYS 30 2HD LYS 30 54.414 17.625 5.367 1318 2HD LYS 30 3HD LYS 30 53.735 18.915 6.340 1319 1HE LYS 30 2HE LYS 30 52.106 18.991 4.735 1320 2HE LYS 30 3HE LYS 30 53.278 19.909 3.811 1321 1HZ LYS 30 1HZ LYS 30 53.189 16.983 3.707 1322 2HZ LYS 30 2HZ LYS 30 52.292 17.913 2.708 1323 3HZ LYS 30 3HZ LYS 30 53.921 18.004 2.663 1324 H GLU 31 HN GLU 31 56.447 23.763 6.127 1325 HA GLU 31 HA GLU 31 57.206 24.192 8.633 1326 1HB GLU 31 2HB GLU 31 56.576 26.081 6.365 1327 2HB GLU 31 3HB GLU 31 57.022 26.759 7.918 1328 1HG GLU 31 2HG GLU 31 59.118 26.540 6.885 1329 2HG GLU 31 3HG GLU 31 59.037 25.063 7.824 1330 H LYS 32 HN LYS 32 56.460 25.299 10.514 1331 HA LYS 32 HA LYS 32 53.548 25.579 10.577 1332 1HB LYS 32 2HB LYS 32 53.710 25.226 12.952 1333 2HB LYS 32 3HB LYS 32 54.582 23.952 12.126 1334 1HG LYS 32 2HG LYS 32 56.301 24.474 13.536 1335 2HG LYS 32 3HG LYS 32 56.590 25.819 12.451 1336 1HD LYS 32 2HD LYS 32 55.781 27.374 13.939 1337 2HD LYS 32 3HD LYS 32 54.472 26.338 14.473 1338 1HE LYS 32 2HE LYS 32 57.375 25.831 15.261 1339 2HE LYS 32 3HE LYS 32 56.315 26.857 16.208 1340 1HZ LYS 32 1HZ LYS 32 56.365 24.033 16.028 1341 2HZ LYS 32 2HZ LYS 32 55.668 24.986 17.156 1342 3HZ LYS 32 3HZ LYS 32 54.860 24.619 15.786 1343 H GLY 33 HN GLY 33 52.552 27.489 11.291 1344 1HA GLY 33 1HA GLY 33 52.973 29.615 12.506 1345 2HA GLY 33 2HA GLY 33 54.379 29.810 11.479 1346 H HIS 34 HN HIS 34 53.436 28.964 8.962 1347 HA HIS 34 HA HIS 34 51.326 30.944 8.491 1348 1HB HIS 34 2HB HIS 34 52.316 31.419 6.365 1349 2HB HIS 34 3HB HIS 34 53.551 31.564 7.601 1350 HD1 HIS 34 HD1 HIS 34 55.639 30.145 7.343 1351 HD2 HIS 34 HD2 HIS 34 52.543 28.974 4.765 1352 HE1 HIS 34 HE1 HIS 34 56.646 28.422 5.752 1353 H TRP 35 HN TRP 35 49.813 30.448 6.699 1354 HA TRP 35 HA TRP 35 49.217 27.606 6.710 1355 1HB TRP 35 2HB TRP 35 47.719 30.116 6.321 1356 2HB TRP 35 3HB TRP 35 47.224 28.791 5.285 1357 HD1 TRP 35 HD1 TRP 35 48.095 28.923 9.109 1358 HE1 TRP 35 HE1 TRP 35 46.240 27.676 10.513 1359 HE3 TRP 35 HE3 TRP 35 45.187 27.666 5.133 1360 HZ2 TRP 35 HZ2 TRP 35 43.819 26.335 9.817 1361 HZ3 TRP 35 HZ3 TRP 35 43.095 26.389 5.582 1362 HH2 TRP 35 HH2 TRP 35 42.395 25.724 7.827 1363 H ALA 36 HN ALA 36 48.456 26.672 4.511 1364 HA ALA 36 HA ALA 36 50.575 26.776 2.717 1365 1HB ALA 36 1HB ALA 36 48.852 25.579 1.213 1366 2HB ALA 36 2HB ALA 36 49.231 24.824 2.780 1367 3HB ALA 36 3HB ALA 36 47.725 25.752 2.579 1368 H LYS 37 HN LYS 37 47.425 28.508 2.827 1369 HA LYS 37 HA LYS 37 47.738 29.664 0.260 1370 1HB LYS 37 2HB LYS 37 45.914 30.134 2.613 1371 2HB LYS 37 3HB LYS 37 45.911 31.236 1.250 1372 1HG LYS 37 2HG LYS 37 44.219 29.560 0.814 1373 2HG LYS 37 3HG LYS 37 45.546 29.251 -0.288 1374 1HD LYS 37 2HD LYS 37 46.387 27.433 1.116 1375 2HD LYS 37 3HD LYS 37 45.260 27.830 2.398 1376 1HE LYS 37 2HE LYS 37 43.652 26.539 1.453 1377 2HE LYS 37 3HE LYS 37 43.755 27.439 -0.047 1378 1HZ LYS 37 1HZ LYS 37 45.684 26.062 -0.616 1379 2HZ LYS 37 2HZ LYS 37 45.453 25.172 0.733 1380 3HZ LYS 37 3HZ LYS 37 44.318 25.185 -0.441 1381 H ASP 38 HN ASP 38 49.490 30.052 3.105 1382 HA ASP 38 HA ASP 38 50.172 32.770 2.297 1383 1HB ASP 38 2HB ASP 38 49.289 31.779 4.854 1384 2HB ASP 38 3HB ASP 38 50.979 32.210 5.025 1385 H CYS 39 HN CYS 39 51.174 29.879 1.676 1386 HA CYS 39 HA CYS 39 53.657 29.617 3.003 1387 1HB CYS 39 2HB CYS 39 52.374 27.714 2.015 1388 2HB CYS 39 3HB CYS 39 52.741 28.322 0.414 1389 HA PRO 40 HA PRO 40 55.764 32.503 0.471 1390 1HB PRO 40 2HB PRO 40 58.294 32.115 1.431 1391 2HB PRO 40 3HB PRO 40 57.121 33.155 2.214 1392 1HG PRO 40 2HG PRO 40 58.031 30.458 3.012 1393 2HG PRO 40 3HG PRO 40 57.207 31.668 3.975 1394 1HD PRO 40 2HD PRO 40 56.048 29.310 2.824 1395 2HD PRO 40 3HD PRO 40 55.203 30.579 3.688 1396 H LYS 41 HN LYS 41 55.740 29.282 0.121 1397 HA LYS 41 HA LYS 41 57.921 29.142 -1.755 1398 1HB LYS 41 2HB LYS 41 56.707 27.320 -0.105 1399 2HB LYS 41 3HB LYS 41 55.969 26.930 -1.646 1400 1HG LYS 41 2HG LYS 41 57.952 26.193 -2.572 1401 2HG LYS 41 3HG LYS 41 58.912 27.414 -1.762 1402 1HD LYS 41 2HD LYS 41 57.782 24.879 -0.486 1403 2HD LYS 41 3HD LYS 41 59.463 25.172 -0.885 1404 1HE LYS 41 2HE LYS 41 59.151 27.321 0.665 1405 2HE LYS 41 3HE LYS 41 57.792 26.422 1.308 1406 1HZ LYS 41 1HZ LYS 41 59.739 24.588 1.251 1407 2HZ LYS 41 2HZ LYS 41 60.580 25.937 1.625 1408 3HZ LYS 41 3HZ LYS 41 59.329 25.467 2.564 1409 H LYS 42 HN LYS 42 54.614 30.139 -1.740 1410 HA LYS 42 HA LYS 42 53.639 29.320 -4.139 1411 1HB LYS 42 2HB LYS 42 53.333 31.893 -2.596 1412 2HB LYS 42 3HB LYS 42 52.500 31.650 -4.119 1413 1HG LYS 42 2HG LYS 42 52.095 29.245 -2.649 1414 2HG LYS 42 3HG LYS 42 51.883 30.538 -1.486 1415 1HD LYS 42 2HD LYS 42 50.265 31.661 -3.042 1416 2HD LYS 42 3HD LYS 42 50.466 30.349 -4.187 1417 1HE LYS 42 2HE LYS 42 49.852 28.902 -1.945 1418 2HE LYS 42 3HE LYS 42 48.992 30.385 -1.578 1419 1HZ LYS 42 1HZ LYS 42 47.715 28.750 -2.872 1420 2HZ LYS 42 2HZ LYS 42 47.813 30.209 -3.602 1421 3HZ LYS 42 3HZ LYS 42 48.729 28.966 -4.136 1422 HA PRO 43 HA PRO 43 56.750 31.037 -6.740 1423 1HB PRO 43 2HB PRO 43 56.266 29.429 -8.897 1424 2HB PRO 43 3HB PRO 43 57.369 28.994 -7.606 1425 1HG PRO 43 2HG PRO 43 54.648 27.972 -8.141 1426 2HG PRO 43 3HG PRO 43 55.907 27.271 -7.146 1427 1HD PRO 43 2HD PRO 43 53.585 28.683 -6.232 1428 2HD PRO 43 3HD PRO 43 54.903 28.084 -5.245 1429 H ARG 44 HN ARG 44 56.816 31.954 -9.050 1430 HA ARG 44 HA ARG 44 54.148 32.905 -9.658 1431 1HB ARG 44 2HB ARG 44 56.523 34.531 -8.842 1432 2HB ARG 44 3HB ARG 44 55.662 35.139 -10.243 1433 1HG ARG 44 2HG ARG 44 53.496 34.882 -8.850 1434 2HG ARG 44 3HG ARG 44 54.531 34.617 -7.461 1435 1HD ARG 44 2HD ARG 44 55.383 36.979 -9.000 1436 2HD ARG 44 3HD ARG 44 53.712 37.116 -8.487 1437 HE ARG 44 HE ARG 44 54.898 36.264 -6.181 1438 1HH1 ARG 44 2HH2 ARG 44 55.786 38.802 -8.450 1439 2HH1 ARG 44 1HH2 ARG 44 56.554 39.784 -7.248 1440 1HH2 ARG 44 2HH1 ARG 44 55.910 37.560 -4.594 1441 2HH2 ARG 44 1HH1 ARG 44 56.625 39.073 -5.040 1442 H GLY 45 HN GLY 45 53.746 33.060 -11.898 1443 1HA GLY 45 1HA GLY 45 55.580 31.777 -13.650 1444 2HA GLY 45 2HA GLY 45 54.063 32.548 -14.071 1445 HA PRO 46 HA PRO 46 54.614 32.416 -15.951 1446 1HB PRO 46 2HB PRO 46 55.963 32.375 -18.328 1447 2HB PRO 46 3HB PRO 46 54.586 33.416 -18.025 1448 1HG PRO 46 2HG PRO 46 57.454 34.123 -18.142 1449 2HG PRO 46 3HG PRO 46 56.058 35.175 -18.267 1450 1HD PRO 46 2HD PRO 46 57.760 34.847 -15.982 1451 2HD PRO 46 3HD PRO 46 56.299 35.810 -16.070 1452 H ARG 47 HN ARG 47 54.799 30.388 -15.267 1453 HA ARG 47 HA ARG 47 57.288 29.125 -15.922 1454 1HB ARG 47 2HB ARG 47 57.152 30.202 -13.420 1455 2HB ARG 47 3HB ARG 47 56.369 28.669 -13.091 1456 1HG ARG 47 2HG ARG 47 58.399 27.671 -13.002 1457 2HG ARG 47 3HG ARG 47 58.642 28.043 -14.697 1458 1HD ARG 47 2HD ARG 47 59.270 29.980 -12.416 1459 2HD ARG 47 3HD ARG 47 60.461 28.946 -13.180 1460 HE ARG 47 HE ARG 47 59.071 30.437 -15.208 1461 1HH1 ARG 47 2HH2 ARG 47 61.441 30.871 -12.643 1462 2HH1 ARG 47 1HH2 ARG 47 62.208 32.225 -13.406 1463 1HH2 ARG 47 2HH1 ARG 47 60.082 32.222 -16.215 1464 2HH2 ARG 47 1HH1 ARG 47 61.429 32.998 -15.451 1465 H GLY 48 HN GLY 48 56.009 27.797 -17.338 1466 1HA GLY 48 1HA GLY 48 53.663 26.447 -16.375 1467 2HA GLY 48 2HA GLY 48 54.456 26.249 -17.924 1468 HA PRO 49 HA PRO 49 56.088 23.183 -14.668 1469 1HB PRO 49 2HB PRO 49 54.069 21.982 -13.271 1470 2HB PRO 49 3HB PRO 49 55.036 23.290 -12.621 1471 1HG PRO 49 2HG PRO 49 52.258 23.364 -13.629 1472 2HG PRO 49 3HG PRO 49 53.086 24.521 -12.606 1473 1HD PRO 49 2HD PRO 49 52.529 24.796 -15.405 1474 2HD PRO 49 3HD PRO 49 53.457 25.899 -14.408 1475 H ARG 50 HN ARG 50 56.538 21.016 -15.096 1476 HA ARG 50 HA ARG 50 56.534 19.278 -16.382 1477 1HB ARG 50 2HB ARG 50 53.519 19.595 -16.023 1478 2HB ARG 50 3HB ARG 50 54.205 18.218 -16.862 1479 1HG ARG 50 2HG ARG 50 54.657 17.204 -14.887 1480 2HG ARG 50 3HG ARG 50 55.676 18.546 -14.407 1481 1HD ARG 50 2HD ARG 50 54.139 19.029 -12.802 1482 2HD ARG 50 3HD ARG 50 53.059 19.548 -14.082 1483 HE ARG 50 HE ARG 50 52.976 16.969 -12.648 1484 1HH1 ARG 50 2HH2 ARG 50 51.836 18.840 -15.401 1485 2HH1 ARG 50 1HH2 ARG 50 50.442 17.845 -15.663 1486 1HH2 ARG 50 2HH1 ARG 50 51.138 15.656 -12.992 1487 2HH2 ARG 50 1HH1 ARG 50 50.043 16.022 -14.284 1488 HA PRO 51 HA PRO 51 55.889 21.502 -20.239 1489 1HB PRO 51 2HB PRO 51 58.331 20.957 -21.339 1490 2HB PRO 51 3HB PRO 51 58.011 22.386 -20.377 1491 1HG PRO 51 2HG PRO 51 59.488 19.939 -19.626 1492 2HG PRO 51 3HG PRO 51 59.517 21.516 -18.862 1493 1HD PRO 51 2HD PRO 51 58.140 19.180 -17.925 1494 2HD PRO 51 3HD PRO 51 58.076 20.786 -17.227 1495 H GLN 52 HN GLN 52 57.440 18.352 -19.958 1496 HA GLN 52 HA GLN 52 55.439 17.037 -21.255 1497 1HB GLN 52 2HB GLN 52 57.080 18.511 -23.118 1498 2HB GLN 52 3HB GLN 52 57.373 16.802 -23.368 1499 1HG GLN 52 2HG GLN 52 54.504 17.533 -22.990 1500 2HG GLN 52 3HG GLN 52 55.242 18.190 -24.437 1501 1HE2 GLN 52 1HE2 GLN 52 53.311 16.535 -24.919 1502 2HE2 GLN 52 2HE2 GLN 52 53.838 14.966 -25.430 1503 H THR 53 HN THR 53 55.779 14.811 -21.026 1504 HA THR 53 HA THR 53 58.473 14.069 -20.098 1505 HB THR 53 HB THR 53 55.657 13.109 -19.409 1506 HG1 THR 53 HG1 THR 53 56.961 15.009 -18.424 1507 1HG2 THR 53 1HG2 THR 53 57.081 11.082 -19.534 1508 2HG2 THR 53 2HG2 THR 53 58.369 11.913 -18.629 1509 3HG2 THR 53 3HG2 THR 53 56.827 11.527 -17.830 1510 H SER 54 HN SER 54 55.638 12.284 -21.478 1511 HA SER 54 HA SER 54 57.422 11.408 -23.587 1512 1HB SER 54 2HB SER 54 56.612 9.048 -23.297 1513 2HB SER 54 3HB SER 54 57.586 9.618 -21.958 1514 HG SER 54 HG SER 54 55.130 10.288 -21.253 1515 H LEU 55 HN LEU 55 56.291 10.777 -25.549 1516 HA LEU 55 HA LEU 55 53.685 12.001 -25.727 1517 1HB LEU 55 2HB LEU 55 55.500 10.761 -27.800 1518 2HB LEU 55 3HB LEU 55 53.967 11.536 -28.149 1519 HG LEU 55 HG LEU 55 55.249 13.507 -26.738 1520 1HD1 LEU 55 1HD1 LEU 55 57.295 11.847 -26.941 1521 2HD1 LEU 55 2HD1 LEU 55 57.425 12.572 -28.562 1522 3HD1 LEU 55 3HD1 LEU 55 57.502 13.606 -27.116 1523 1HD2 LEU 55 1HD2 LEU 55 54.071 13.302 -29.127 1524 2HD2 LEU 55 2HD2 LEU 55 55.057 14.706 -28.654 1525 3HD2 LEU 55 3HD2 LEU 55 55.762 13.425 -29.668 1526 H LEU 56 HN LEU 56 52.865 10.297 -24.108 1527 HA LEU 56 HA LEU 56 51.828 8.386 -23.643 1528 1HB LEU 56 2HB LEU 56 50.222 9.608 -25.049 1529 2HB LEU 56 3HB LEU 56 50.828 8.777 -26.468 1530 HG LEU 56 HG LEU 56 49.948 6.984 -24.294 1531 1HD1 LEU 56 1HD1 LEU 56 47.775 7.533 -24.102 1532 2HD1 LEU 56 2HD1 LEU 56 48.346 9.157 -24.559 1533 3HD1 LEU 56 3HD1 LEU 56 47.649 8.078 -25.791 1534 1HD2 LEU 56 1HD2 LEU 56 50.656 6.373 -26.666 1535 2HD2 LEU 56 2HD2 LEU 56 49.147 5.649 -26.057 1536 3HD2 LEU 56 3HD2 LEU 56 49.082 7.025 -27.186 Start of MODEL 18 1 1H5* G 276 1H5* G 276 63.899 35.786 -12.196 2 2H5* G 276 2H5* G 276 65.632 35.780 -12.519 3 H4* G 276 H4* G 276 65.442 35.498 -10.206 4 H3* G 276 H3* G 276 66.060 32.928 -11.616 5 H2* G 276 H2* G 276 66.092 31.748 -9.559 6 2HO* G 276 2HO* G 276 65.800 34.413 -8.508 7 H1* G 276 H1* G 276 63.681 32.741 -8.653 8 H8 G 276 H8 G 276 63.264 32.523 -12.310 9 H1 G 276 H1 G 276 62.794 26.758 -9.407 10 1H2 G 276 1H2 G 276 63.436 26.916 -7.453 11 2H2 G 276 2H2 G 276 64.015 28.391 -6.712 12 1H5* G 277 1H5* G 277 68.243 32.648 -8.254 13 2H5* G 277 2H5* G 277 69.947 32.439 -8.660 14 H4* G 277 H4* G 277 69.370 30.694 -7.169 15 H3* G 277 H3* G 277 69.606 29.732 -10.019 16 H2* G 277 H2* G 277 69.389 27.504 -9.233 17 2HO* G 277 2HO* G 277 70.014 27.152 -7.155 18 H1* G 277 H1* G 277 67.231 28.209 -7.515 19 H8 G 277 H8 G 277 66.712 29.760 -10.829 20 H1 G 277 H1 G 277 65.058 23.505 -10.709 21 1H2 G 277 1H2 G 277 65.747 22.644 -8.967 22 2H2 G 277 2H2 G 277 66.640 23.490 -7.723 23 1H5* C 278 1H5* C 278 72.409 27.809 -7.511 24 2H5* C 278 2H5* C 278 73.953 27.365 -8.238 25 H4* C 278 H4* C 278 72.906 25.409 -7.310 26 H3* C 278 H3* C 278 73.017 25.493 -10.322 27 H2* C 278 H2* C 278 72.211 23.262 -10.378 28 2HO* C 278 2HO* C 278 72.151 22.131 -8.314 29 H1* C 278 H1* C 278 70.195 23.780 -8.471 30 1H4 C 278 1H4 C 278 67.297 24.142 -14.161 31 2H4 C 278 2H4 C 278 67.773 25.822 -14.265 32 H5 C 278 H5 C 278 69.183 26.890 -12.700 33 H6 C 278 H6 C 278 70.498 26.605 -10.630 34 1H5* G 279 1H5* G 279 75.598 22.167 -8.961 35 2H5* G 279 2H5* G 279 76.967 21.946 -10.050 36 H4* G 279 H4* G 279 75.710 19.890 -9.841 37 H3* G 279 H3* G 279 75.629 21.232 -12.538 38 H2* G 279 H2* G 279 74.494 19.328 -13.410 39 2HO* G 279 2HO* G 279 74.222 17.536 -11.773 40 H1* G 279 H1* G 279 72.652 19.281 -11.284 41 H8 G 279 H8 G 279 73.090 22.824 -12.114 42 H1 G 279 H1 G 279 69.380 19.746 -16.432 43 1H2 G 279 1H2 G 279 69.532 17.709 -16.143 44 2H2 G 279 2H2 G 279 70.519 16.950 -14.914 45 1H5* G 280 1H5* G 280 77.727 17.428 -13.373 46 2H5* G 280 2H5* G 280 78.970 17.757 -14.581 47 H4* G 280 H4* G 280 77.440 16.064 -15.381 48 H3* G 280 H3* G 280 77.427 18.701 -16.820 49 H2* G 280 H2* G 280 75.874 17.844 -18.400 50 2HO* G 280 2HO* G 280 75.341 15.413 -17.739 51 H1* G 280 H1* G 280 74.158 16.809 -16.467 52 H8 G 280 H8 G 280 75.431 19.937 -15.012 53 H1 G 280 H1 G 280 70.932 20.979 -19.545 54 1H2 G 280 1H2 G 280 70.584 19.233 -20.586 55 2H2 G 280 2H2 G 280 71.392 17.712 -20.276 56 1H5* U 281 1H5* U 281 77.373 16.360 -19.531 57 2H5* U 281 2H5* U 281 78.765 16.115 -20.585 58 H4* U 281 H4* U 281 77.120 16.379 -22.141 59 H3* U 281 H3* U 281 78.168 19.159 -21.601 60 H2* U 281 H2* U 281 76.765 19.967 -23.328 61 2HO* U 281 2HO* U 281 77.094 18.310 -24.800 62 H1* U 281 H1* U 281 74.567 18.376 -22.460 63 H3 U 281 H3 U 281 73.132 22.659 -21.925 64 H5 U 281 H5 U 281 75.763 22.042 -18.727 65 H6 U 281 H6 U 281 76.359 19.900 -19.760 66 2HO* AP7 282 2HO* A 282 76.986 20.990 -28.139 67 H2* AP7 282 H2* A 282 77.671 23.338 -26.615 68 H3* AP7 282 H3* A 282 79.478 21.998 -25.875 69 H4* AP7 282 H4* A 282 78.285 19.653 -27.348 70 H1* AP7 282 H1* A 282 75.764 21.307 -26.027 71 H8 AP7 282 H8 A 282 78.376 21.929 -23.385 72 H2 AP7 282 H2 A 282 72.761 24.699 -24.845 73 H1 AP7 282 H1 A 282 73.136 25.680 -22.846 74 1H6 AP7 282 1H6 A 282 74.378 26.044 -20.931 75 2H6 AP7 282 2H6 A 282 75.895 25.214 -20.670 76 2H5* AP7 282 2H5* A 282 80.545 19.451 -26.339 77 1H5* AP7 282 1H5* A 282 79.372 18.280 -25.734 78 1H5* C 283 1H5* C 283 79.160 23.174 -29.892 79 2H5* C 283 2H5* C 283 80.213 24.489 -30.414 80 H4* C 283 H4* C 283 77.903 25.212 -30.359 81 H3* C 283 H3* C 283 79.751 26.480 -28.347 82 H2* C 283 H2* C 283 78.008 27.964 -27.720 83 2HO* C 283 2HO* C 283 76.603 28.409 -29.322 84 H1* C 283 H1* C 283 76.092 25.910 -27.556 85 1H4 C 283 1H4 C 283 78.166 26.808 -21.571 86 2H4 C 283 2H4 C 283 79.449 25.657 -21.877 87 H5 C 283 H5 C 283 79.882 24.701 -23.993 88 H6 C 283 H6 C 283 79.184 24.611 -26.358 89 1H5* U 284 1H5* U 284 78.046 29.528 -30.212 90 2H5* U 284 2H5* U 284 79.149 30.582 -31.098 91 H4* U 284 H4* U 284 77.845 32.054 -29.864 92 H3* U 284 H3* U 284 80.469 31.583 -28.473 93 H2* U 284 H2* U 284 79.872 33.171 -26.813 94 2HO* U 284 2HO* U 284 78.640 34.747 -27.649 95 H1* U 284 H1* U 284 77.331 32.087 -26.406 96 H3 U 284 H3 U 284 79.553 30.881 -22.644 97 H5 U 284 H5 U 284 81.040 28.276 -25.567 98 H6 U 284 H6 U 284 79.787 29.580 -27.224 99 1H5* A 285 1H5* A 285 80.198 36.079 -28.772 100 2H5* A 285 2H5* A 285 81.887 36.567 -28.899 101 H4* A 285 H4* A 285 80.636 37.484 -26.927 102 H3* A 285 H3* A 285 83.201 35.943 -26.586 103 H2* A 285 H2* A 285 83.177 36.460 -24.269 104 2HO* A 285 2HO* A 285 80.891 38.049 -25.014 105 H1* A 285 H1* A 285 80.470 35.769 -23.966 106 H8 A 285 H8 A 285 82.052 33.308 -26.240 107 1H6 A 285 1H6 A 285 84.014 30.262 -21.159 108 2H6 A 285 2H6 A 285 83.854 30.161 -22.898 109 H2 A 285 H2 A 285 82.403 34.201 -19.882 110 1H5* G 286 1H5* G 286 83.603 39.420 -24.277 111 2H5* G 286 2H5* G 286 85.186 40.133 -24.582 112 H4* G 286 H4* G 286 84.934 39.792 -22.228 113 H3* G 286 H3* G 286 86.885 37.902 -23.541 114 H2* G 286 H2* G 286 87.518 37.135 -21.390 115 2HO* G 286 2HO* G 286 87.372 39.363 -20.610 116 H1* G 286 H1* G 286 84.823 36.976 -20.509 117 H8 G 286 H8 G 286 85.055 35.542 -23.906 118 H1 G 286 H1 G 286 87.085 31.450 -19.322 119 1H2 G 286 1H2 G 286 87.295 32.462 -17.538 120 2H2 G 286 2H2 G 286 86.968 34.166 -17.316 121 1H5* U 287 1H5* U 287 89.125 40.354 -20.851 122 2H5* U 287 2H5* U 287 90.855 40.425 -21.186 123 H4* U 287 H4* U 287 90.372 39.285 -19.077 124 H3* U 287 H3* U 287 91.639 37.652 -21.277 125 H2* U 287 H2* U 287 91.934 35.883 -19.729 126 2HO* U 287 2HO* U 287 91.553 36.411 -17.464 127 H1* U 287 H1* U 287 89.312 36.188 -18.680 128 H3 U 287 H3 U 287 89.439 32.049 -20.615 129 H5 U 287 H5 U 287 88.886 34.708 -23.803 130 H6 U 287 H6 U 287 89.282 36.536 -22.217 131 1H5* U 288 1H5* U 288 93.957 36.898 -18.374 132 2H5* U 288 2H5* U 288 95.681 37.149 -18.647 133 H4* U 288 H4* U 288 95.456 34.897 -18.025 134 H3* U 288 H3* U 288 95.840 35.199 -20.995 135 H2* U 288 H2* U 288 95.820 32.872 -21.254 136 2HO* U 288 2HO* U 288 95.731 32.213 -18.565 137 H1* U 288 H1* U 288 93.819 32.602 -19.143 138 H3 U 288 H3 U 288 92.080 30.186 -22.593 139 H5 U 288 H5 U 288 91.633 34.178 -23.778 140 H6 U 288 H6 U 288 92.982 34.805 -21.829 141 1H5* G 289 1H5* G 289 99.019 32.991 -19.919 142 2H5* G 289 2H5* G 289 100.539 33.246 -20.775 143 H4* G 289 H4* G 289 99.779 31.121 -21.428 144 H3* G 289 H3* G 289 99.199 33.168 -23.574 145 H2* G 289 H2* G 289 98.547 31.402 -24.999 146 2HO* G 289 2HO* G 289 99.093 29.207 -24.219 147 H1* G 289 H1* G 289 97.189 30.051 -22.855 148 H8 G 289 H8 G 289 96.642 33.732 -23.688 149 H1 G 289 H1 G 289 92.279 29.669 -26.208 150 1H2 G 289 1H2 G 289 92.843 27.724 -25.817 151 2H2 G 289 2H2 G 289 94.283 27.263 -24.937 152 1H5* A 290 1H5* A 290 101.119 33.387 -27.415 153 2H5* A 290 2H5* A 290 99.536 32.849 -26.854 154 H4* A 290 H4* A 290 100.291 32.081 -29.159 155 H3* A 290 H3* A 290 99.140 30.300 -27.050 156 H2* A 290 H2* A 290 99.342 28.398 -28.455 157 2HO* A 290 2HO* A 290 100.178 30.394 -30.356 158 H1* A 290 H1* A 290 101.989 28.894 -29.129 159 H8 A 290 H8 A 290 100.800 29.763 -25.609 160 1H6 A 290 1H6 A 290 103.153 24.225 -23.949 161 2H6 A 290 2H6 A 290 102.409 25.688 -23.344 162 H2 A 290 H2 A 290 103.494 24.614 -28.362 163 1H5* G 291 1H5* G 291 97.943 28.075 -30.057 164 2H5* G 291 2H5* G 291 96.204 27.872 -29.844 165 H4* G 291 H4* G 291 97.462 25.751 -29.727 166 H3* G 291 H3* G 291 95.770 26.665 -27.437 167 H2* G 291 H2* G 291 96.327 24.738 -26.166 168 2HO* G 291 2HO* G 291 96.985 22.974 -27.309 169 H1* G 291 H1* G 291 99.071 24.978 -26.622 170 H8 G 291 H8 G 291 97.007 28.143 -26.122 171 H1 G 291 H1 G 291 99.805 25.822 -20.768 172 1H2 G 291 1H2 G 291 100.703 24.014 -21.189 173 2H2 G 291 2H2 G 291 100.700 23.243 -22.758 174 1H5* A 292 1H5* A 292 91.402 23.688 -30.157 175 2H5* A 292 2H5* A 292 91.398 24.810 -28.796 176 H4* A 292 H4* A 292 92.484 22.087 -29.010 177 H3* A 292 H3* A 292 91.398 23.830 -26.796 178 H2* A 292 H2* A 292 92.278 22.290 -25.228 179 2HO* A 292 2HO* A 292 91.589 20.549 -26.707 180 H1* A 292 H1* A 292 94.720 22.054 -26.715 181 H8 A 292 H8 A 292 93.158 25.408 -25.785 182 1H6 A 292 1H6 A 292 97.272 25.500 -21.093 183 2H6 A 292 2H6 A 292 96.029 26.424 -21.906 184 H2 A 292 H2 A 292 97.628 21.591 -23.178 185 1H5* A 293 1H5* A 293 89.144 20.224 -23.839 186 2H5* A 293 2H5* A 293 88.803 21.944 -23.643 187 H4* A 293 H4* A 293 90.802 20.269 -22.347 188 H3* A 293 H3* A 293 89.273 22.736 -21.743 189 H2* A 293 H2* A 293 90.958 23.662 -20.382 190 2HO* A 293 2HO* A 293 92.839 22.108 -19.999 191 H1* A 293 H1* A 293 93.050 23.295 -22.079 192 H8 A 293 H8 A 293 90.096 23.594 -24.310 193 1H6 A 293 1H6 A 293 90.697 29.787 -23.823 194 2H6 A 293 2H6 A 293 89.873 28.506 -24.683 195 H2 A 293 H2 A 293 93.398 27.891 -20.848 196 1H5* A 294 1H5* A 294 91.445 21.963 -17.753 197 2H5* A 294 2H5* A 294 89.968 21.733 -16.819 198 H4* A 294 H4* A 294 91.321 23.376 -15.728 199 H3* A 294 H3* A 294 88.816 24.415 -17.015 200 H2* A 294 H2* A 294 89.265 26.592 -16.160 201 2HO* A 294 2HO* A 294 90.139 25.597 -14.199 202 H1* A 294 H1* A 294 91.913 26.579 -17.074 203 H8 A 294 H8 A 294 89.588 24.933 -19.511 204 1H6 A 294 1H6 A 294 88.663 30.607 -21.941 205 2H6 A 294 2H6 A 294 88.356 28.900 -22.170 206 H2 A 294 H2 A 294 90.997 31.066 -18.187 207 1H5* C 295 1H5* C 295 88.653 25.280 -12.947 208 2H5* C 295 2H5* C 295 87.077 25.458 -12.174 209 H4* C 295 H4* C 295 88.187 27.581 -12.189 210 H3* C 295 H3* C 295 85.833 27.381 -14.063 211 H2* C 295 H2* C 295 86.024 29.707 -14.492 212 2HO* C 295 2HO* C 295 88.236 29.923 -12.737 213 H1* C 295 H1* C 295 88.823 29.570 -14.834 214 1H4 C 295 1H4 C 295 86.461 29.463 -20.766 215 2H4 C 295 2H4 C 295 86.150 27.749 -20.598 216 H5 C 295 H5 C 295 86.470 26.545 -18.591 217 H6 C 295 H6 C 295 87.172 26.690 -16.228 218 1H5* U 296 1H5* U 296 84.961 30.367 -11.275 219 2H5* U 296 2H5* U 296 83.280 30.475 -10.751 220 H4* U 296 H4* U 296 83.879 32.562 -11.719 221 H3* U 296 H3* U 296 82.057 30.910 -13.461 222 H2* U 296 H2* U 296 81.868 32.746 -14.951 223 2HO* U 296 2HO* U 296 81.820 34.192 -13.077 224 H1* U 296 H1* U 296 84.658 33.253 -14.891 225 H3 U 296 H3 U 296 83.643 31.985 -19.169 226 H5 U 296 H5 U 296 83.952 28.403 -17.023 227 H6 U 296 H6 U 296 84.084 29.753 -14.980 228 1H5* A 297 1H5* A 297 79.950 34.424 -12.460 229 2H5* A 297 2H5* A 297 78.193 34.281 -12.415 230 H4* A 297 H4* A 297 78.836 35.809 -14.158 231 H3* A 297 H3* A 297 77.681 33.189 -15.095 232 H2* A 297 H2* A 297 77.679 34.024 -17.323 233 2HO* A 297 2HO* A 297 77.094 36.155 -16.481 234 H1* A 297 H1* A 297 80.330 34.963 -17.113 235 H8 A 297 H8 A 297 80.261 31.679 -15.467 236 1H6 A 297 1H6 A 297 80.704 29.059 -21.114 237 2H6 A 297 2H6 A 297 80.792 28.746 -19.395 238 H2 A 297 H2 A 297 79.830 33.382 -21.652 239 1H5* G 298 1H5* G 298 75.381 36.668 -17.557 240 2H5* G 298 2H5* G 298 73.805 35.969 -17.190 241 H4* G 298 H4* G 298 74.164 36.370 -19.598 242 H3* G 298 H3* G 298 73.591 33.609 -18.585 243 H2* G 298 H2* G 298 73.615 32.748 -20.802 244 2HO* G 298 2HO* G 298 74.292 35.235 -21.924 245 H1* G 298 H1* G 298 76.039 34.081 -21.415 246 H8 G 298 H8 G 298 76.429 32.647 -18.056 247 H1 G 298 H1 G 298 77.006 28.190 -22.712 248 1H2 G 298 1H2 G 298 76.364 28.980 -24.505 249 2H2 G 298 2H2 G 298 75.760 30.607 -24.716 250 1H5* C 299 1H5* C 299 71.485 34.002 -21.597 251 2H5* C 299 2H5* C 299 69.759 33.642 -21.631 252 H4* C 299 H4* C 299 70.887 32.286 -23.259 253 H3* C 299 H3* C 299 69.769 30.830 -20.883 254 H2* C 299 H2* C 299 70.465 28.761 -21.775 255 2HO* C 299 2HO* C 299 69.776 29.555 -23.908 256 H1* C 299 H1* C 299 72.985 29.864 -22.617 257 1H4 C 299 1H4 C 299 74.226 26.138 -17.556 258 2H4 C 299 2H4 C 299 73.908 27.512 -16.521 259 H5 C 299 H5 C 299 73.080 29.582 -17.299 260 H6 C 299 H6 C 299 72.348 30.857 -19.283 261 1H5* U 300 1H5* U 300 68.243 29.119 -25.122 262 2H5* U 300 2H5* U 300 66.726 28.357 -24.645 263 H4* U 300 H4* U 300 68.237 26.882 -25.947 264 H3* U 300 H3* U 300 67.361 26.080 -23.181 265 H2* U 300 H2* U 300 68.428 23.985 -23.460 266 2HO* U 300 2HO* U 300 69.465 24.100 -25.894 267 H1* U 300 H1* U 300 70.791 25.064 -24.478 268 H3 U 300 H3 U 300 72.081 23.790 -20.338 269 H5 U 300 H5 U 300 69.724 27.179 -19.634 270 H6 U 300 H6 U 300 69.164 27.163 -22.021 271 1H5* C 301 1H5* C 301 65.283 23.358 -25.945 272 2H5* C 301 2H5* C 301 64.068 22.354 -25.154 273 H4* C 301 H4* C 301 66.158 21.149 -25.721 274 H3* C 301 H3* C 301 65.185 21.282 -22.885 275 H2* C 301 H2* C 301 66.980 19.933 -22.161 276 2HO* C 301 2HO* C 301 67.625 18.471 -23.639 277 H1* C 301 H1* C 301 68.840 21.335 -23.848 278 1H4 C 301 1H4 C 301 70.123 23.239 -17.878 279 2H4 C 301 2H4 C 301 68.839 24.419 -18.009 280 H5 C 301 H5 C 301 67.368 24.565 -19.852 281 H6 C 301 H6 C 301 66.761 23.601 -22.043 282 1H5* U 302 1H5* U 302 65.835 17.688 -23.577 283 2H5* U 302 2H5* U 302 64.748 16.337 -23.256 284 H4* U 302 H4* U 302 66.435 15.783 -21.846 285 H3* U 302 H3* U 302 64.664 17.614 -20.231 286 H2* U 302 H2* U 302 66.057 17.238 -18.350 287 2HO* U 302 2HO* U 302 67.328 15.398 -18.371 288 H1* U 302 H1* U 302 68.431 17.583 -19.847 289 H3 U 302 H3 U 302 68.756 21.332 -17.409 290 H5 U 302 H5 U 302 65.210 21.934 -19.554 291 H6 U 302 H6 U 302 65.477 19.664 -20.439 292 1H5* G 303 1H5* G 303 65.198 14.336 -18.347 293 2H5* G 303 2H5* G 303 64.012 13.454 -17.385 294 H4* G 303 H4* G 303 65.576 14.090 -15.810 295 H3* G 303 H3* G 303 63.392 16.182 -15.806 296 H2* G 303 H2* G 303 64.414 17.150 -13.919 297 2HO* G 303 2HO* G 303 65.420 15.742 -12.578 298 H1* G 303 H1* G 303 67.052 16.657 -14.980 299 H8 G 303 H8 G 303 64.799 18.415 -17.365 300 H1 G 303 H1 G 303 67.670 22.397 -13.147 301 1H2 G 303 1H2 G 303 68.589 21.288 -11.670 302 2H2 G 303 2H2 G 303 68.584 19.542 -11.587 303 1H5* U 304 1H5* U 304 60.888 17.296 -12.885 304 2H5* U 304 2H5* U 304 62.425 17.209 -13.745 305 H4* U 304 H4* U 304 62.645 16.342 -10.963 306 H3* U 304 H3* U 304 61.342 18.972 -11.501 307 H2* U 304 H2* U 304 62.747 20.100 -9.969 308 2HO* U 304 2HO* U 304 63.556 17.398 -9.389 309 H1* U 304 H1* U 304 65.113 19.093 -10.916 310 H3 U 304 H3 U 304 64.376 23.386 -12.499 311 H5 U 304 H5 U 304 62.977 20.775 -15.459 312 H6 U 304 H6 U 304 63.245 18.954 -13.840 313 1H5* A 305 1H5* A 305 59.954 16.473 -7.791 314 2H5* A 305 2H5* A 305 58.424 16.917 -7.036 315 H4* A 305 H4* A 305 60.207 18.086 -5.943 316 H3* A 305 H3* A 305 58.418 19.824 -7.635 317 H2* A 305 H2* A 305 59.544 21.735 -6.816 318 2HO* A 305 2HO* A 305 59.689 21.056 -4.673 319 H1* A 305 H1* A 305 62.099 20.472 -7.074 320 H8 A 305 H8 A 305 60.045 20.045 -10.140 321 1H6 A 305 1H6 A 305 62.212 25.585 -12.032 322 2H6 A 305 2H6 A 305 61.318 24.166 -12.531 323 H2 A 305 H2 A 305 63.387 25.008 -7.785 324 1H5* U 306 1H5* U 306 54.431 17.241 -4.405 325 2H5* U 306 2H5* U 306 54.127 18.801 -5.172 326 H4* U 306 H4* U 306 53.833 18.298 -2.526 327 H3* U 306 H3* U 306 54.358 20.870 -3.999 328 H2* U 306 H2* U 306 54.644 21.999 -2.010 329 2HO* U 306 2HO* U 306 52.558 21.324 -1.326 330 H1* U 306 H1* U 306 55.366 19.435 -0.661 331 H3 U 306 H3 U 306 58.864 21.315 1.362 332 H5 U 306 H5 U 306 58.859 23.257 -2.348 333 H6 U 306 H6 U 306 56.885 21.923 -2.932 334 1H5* C 307 1H5* C 307 50.527 20.602 -1.146 335 2H5* C 307 2H5* C 307 49.481 20.675 -2.565 336 H4* C 307 H4* C 307 48.884 21.702 -0.112 337 H3* C 307 H3* C 307 47.800 22.190 -2.849 338 H2* C 307 H2* C 307 46.491 24.025 -2.096 339 2HO* C 307 2HO* C 307 45.910 23.184 -0.097 340 H1* C 307 H1* C 307 48.625 25.238 -0.756 341 1H4 C 307 1H4 C 307 48.376 27.858 -6.608 342 2H4 C 307 2H4 C 307 49.622 26.731 -7.099 343 H5 C 307 H5 C 307 50.414 24.971 -5.737 344 H6 C 307 H6 C 307 50.203 23.847 -3.549 345 1H5* U 308 1H5* U 308 43.662 19.230 -1.963 346 2H5* U 308 2H5* U 308 42.568 19.872 -0.738 347 H4* U 308 H4* U 308 43.159 17.521 -0.347 348 H3* U 308 H3* U 308 43.902 19.579 1.712 349 H2* U 308 H2* U 308 44.939 17.987 3.024 350 2HO* U 308 2HO* U 308 44.024 15.668 1.999 351 H1* U 308 H1* U 308 45.408 16.319 0.593 352 H3 U 308 H3 U 308 49.826 15.891 1.186 353 H5 U 308 H5 U 308 48.900 19.185 3.602 354 H6 U 308 H6 U 308 46.600 19.024 2.769 355 1H5* G 309 1H5* G 309 41.020 18.329 5.805 356 2H5* G 309 2H5* G 309 39.982 19.341 4.800 357 H4* G 309 H4* G 309 40.835 20.268 7.047 358 H3* G 309 H3* G 309 40.830 21.773 4.442 359 H2* G 309 H2* G 309 41.723 23.657 5.497 360 2HO* G 309 2HO* G 309 41.167 22.296 7.969 361 H1* G 309 H1* G 309 43.268 21.931 7.307 362 H8 G 309 H8 G 309 43.504 22.357 3.505 363 H1 G 309 H1 G 309 48.280 25.086 6.912 364 1H2 G 309 1H2 G 309 47.908 24.857 8.928 365 2H2 G 309 2H2 G 309 46.509 24.045 9.595 366 1H5* G 310 1H5* G 310 40.690 22.537 2.599 367 2H5* G 310 2H5* G 310 39.243 23.528 2.776 368 H4* G 310 H4* G 310 40.055 22.328 0.471 369 H3* G 310 H3* G 310 37.312 23.242 1.345 370 H2* G 310 H2* G 310 36.487 22.600 -0.775 371 2HO* G 310 2HO* G 310 38.458 23.502 -1.735 372 H1* G 310 H1* G 310 38.041 20.191 -0.757 373 H8 G 310 H8 G 310 36.297 20.404 2.453 374 H1 G 310 H1 G 310 32.355 18.547 -2.331 375 1H2 G 310 1H2 G 310 33.277 18.868 -4.147 376 2H2 G 310 2H2 G 310 34.880 19.541 -4.345 377 1H5* C 311 1H5* C 311 38.488 25.480 -1.984 378 2H5* C 311 2H5* C 311 38.183 27.217 -2.011 379 H4* C 311 H4* C 311 37.111 26.464 -3.917 380 H3* C 311 H3* C 311 35.102 26.705 -1.687 381 H2* C 311 H2* C 311 33.370 26.146 -3.217 382 2HO* C 311 2HO* C 311 35.536 26.241 -5.115 383 H1* C 311 H1* C 311 34.843 23.965 -4.266 384 1H4 C 311 1H4 C 311 30.723 21.383 -0.116 385 2H4 C 311 2H4 C 311 31.847 21.727 1.180 386 H5 C 311 H5 C 311 33.846 22.952 0.896 387 H6 C 311 H6 C 311 35.274 24.159 -0.718 388 1H5* G 312 1H5* G 312 33.154 29.659 -5.191 389 2H5* G 312 2H5* G 312 31.836 30.141 -4.123 390 H4* G 312 H4* G 312 31.550 28.616 -6.348 391 H3* G 312 H3* G 312 29.853 28.949 -3.904 392 H2* G 312 H2* G 312 28.362 27.252 -4.654 393 2HO* G 312 2HO* G 312 29.922 26.689 -6.927 394 H1* G 312 H1* G 312 30.342 25.390 -5.111 395 H8 G 312 H8 G 312 31.863 26.985 -2.280 396 H1 G 312 H1 G 312 26.532 23.780 -0.495 397 1H2 G 312 1H2 G 312 25.423 23.303 -2.166 398 2H2 G 312 2H2 G 312 25.870 23.711 -3.807 399 1H5* G 313 1H5* G 313 27.092 27.463 -6.596 400 2H5* G 313 2H5* G 313 26.204 28.927 -7.015 401 H4* G 313 H4* G 313 24.539 27.373 -6.560 402 H3* G 313 H3* G 313 24.989 29.159 -4.189 403 H2* G 313 H2* G 313 23.240 28.071 -3.013 404 2HO* G 313 2HO* G 313 21.896 26.613 -4.258 405 H1* G 313 H1* G 313 24.142 25.507 -3.562 406 H8 G 313 H8 G 313 26.983 27.939 -3.131 407 H1 G 313 H1 G 313 24.842 25.366 2.408 408 1H2 G 313 1H2 G 313 23.113 24.300 2.048 409 2H2 G 313 2H2 G 313 22.356 24.130 0.481 410 1H5* A 314 1H5* A 314 21.069 28.585 -5.454 411 2H5* A 314 2H5* A 314 19.888 29.876 -5.238 412 H4* A 314 H4* A 314 19.065 27.866 -4.217 413 H3* A 314 H3* A 314 19.832 30.071 -2.325 414 H2* A 314 H2* A 314 19.036 28.783 -0.494 415 2HO* A 314 2HO* A 314 17.297 28.010 -1.958 416 H1* A 314 H1* A 314 20.402 26.484 -1.229 417 H8 A 314 H8 A 314 22.350 29.583 -2.088 418 1H6 A 314 1H6 A 314 24.770 29.219 3.654 419 2H6 A 314 2H6 A 314 24.881 30.052 2.119 420 H2 A 314 H2 A 314 21.512 26.214 3.324 421 1H5* C 315 1H5* C 315 17.029 28.208 -0.038 422 2H5* C 315 2H5* C 315 15.748 29.415 0.082 423 H4* C 315 H4* C 315 16.751 28.545 2.253 424 H3* C 315 H3* C 315 15.654 31.022 1.726 425 H2* C 315 H2* C 315 17.673 32.215 1.570 426 2HO* C 315 2HO* C 315 17.071 31.804 4.357 427 H1* C 315 H1* C 315 18.961 30.630 3.798 428 1H4 C 315 1H4 C 315 24.332 32.367 0.883 429 2H4 C 315 2H4 C 315 23.492 32.558 -0.640 430 H5 C 315 H5 C 315 21.188 32.132 -0.934 431 H6 C 315 H6 C 315 19.101 31.411 0.171 432 1H5* C 316 1H5* C 316 16.505 28.127 4.183 433 2H5* C 316 2H5* C 316 15.541 27.167 3.061 434 H4* C 316 H4* C 316 14.598 25.982 5.117 435 H3* C 316 H3* C 316 16.655 27.677 6.455 436 H2* C 316 H2* C 316 17.381 25.872 7.828 437 2HO* C 316 2HO* C 316 15.676 24.018 6.591 438 H1* C 316 H1* C 316 17.751 24.125 5.723 439 1H4 C 316 1H4 C 316 23.425 26.992 5.899 440 2H4 C 316 2H4 C 316 22.704 28.512 5.420 441 H5 C 316 H5 C 316 20.387 28.825 5.090 442 H6 C 316 H6 C 316 18.167 27.743 5.141 443 1H5* C 317 1H5* C 317 14.477 25.524 9.210 444 2H5* C 317 2H5* C 317 14.071 26.293 10.745 445 H4* C 317 H4* C 317 15.287 24.325 11.249 446 H3* C 317 H3* C 317 16.895 26.840 11.627 447 H2* C 317 H2* C 317 18.677 25.554 12.522 448 2HO* C 317 2HO* C 317 16.735 23.438 12.285 449 H1* C 317 H1* C 317 18.591 23.655 10.464 450 1H4 C 317 1H4 C 317 23.049 27.769 8.498 451 2H4 C 317 2H4 C 317 21.801 28.904 8.035 452 H5 C 317 H5 C 317 19.499 28.566 8.433 453 H6 C 317 H6 C 317 17.808 27.038 9.386 454 1H5* G 318 1H5* G 318 17.242 24.686 14.791 455 2H5* G 318 2H5* G 318 16.634 25.279 16.336 456 H4* G 318 H4* G 318 18.712 24.517 16.932 457 H3* G 318 H3* G 318 18.950 27.444 16.301 458 H2* G 318 H2* G 318 21.258 27.389 16.851 459 2HO* G 318 2HO* G 318 21.540 24.747 17.427 460 H1* G 318 H1* G 318 21.798 25.132 15.320 461 H8 G 318 H8 G 318 19.204 27.528 13.923 462 H1 G 318 H1 G 318 25.276 28.685 12.007 463 1H2 G 318 1H2 G 318 26.569 27.451 13.034 464 2H2 G 318 2H2 G 318 26.082 26.278 14.236 465 1H5* U 319 1H5* U 319 20.141 27.723 19.424 466 2H5* U 319 2H5* U 319 19.968 28.967 20.662 467 H4* U 319 H4* U 319 20.833 29.182 17.868 468 H3* U 319 H3* U 319 21.305 30.691 20.429 469 H2* U 319 H2* U 319 22.187 32.510 19.156 470 2HO* U 319 2HO* U 319 21.615 30.924 16.836 471 H1* U 319 H1* U 319 19.967 32.497 17.416 472 H3 U 319 H3 U 319 18.818 36.293 19.480 473 H5 U 319 H5 U 319 19.007 33.568 22.654 474 H6 U 319 H6 U 319 19.759 31.887 21.037 475 1H5* G 320 1H5* G 320 23.451 28.265 17.908 476 2H5* G 320 2H5* G 320 23.235 26.514 17.884 477 H4* G 320 H4* G 320 25.544 26.444 19.071 478 H3* G 320 H3* G 320 25.387 29.313 18.422 479 H2* G 320 H2* G 320 27.472 29.402 17.294 480 2HO* G 320 2HO* G 320 28.848 27.980 18.185 481 H1* G 320 H1* G 320 26.978 27.334 15.586 482 H8 G 320 H8 G 320 23.565 28.469 15.993 483 H1 G 320 H1 G 320 27.049 32.702 12.555 484 1H2 G 320 1H2 G 320 29.054 32.262 12.748 485 2H2 G 320 2H2 G 320 29.696 30.941 13.700 486 1H5* G 321 1H5* G 321 29.695 28.802 19.788 487 2H5* G 321 2H5* G 321 29.844 30.164 20.898 488 H4* G 321 H4* G 321 31.569 30.162 19.144 489 H3* G 321 H3* G 321 29.667 32.471 19.362 490 H2* G 321 H2* G 321 30.793 33.600 17.600 491 2HO* G 321 2HO* G 321 32.839 32.740 18.428 492 H1* G 321 H1* G 321 30.825 31.262 15.985 493 H8 G 321 H8 G 321 27.444 31.382 17.290 494 H1 G 321 H1 G 321 28.387 35.913 12.767 495 1H2 G 321 1H2 G 321 30.408 36.111 12.401 496 2H2 G 321 2H2 G 321 31.659 35.188 13.202 497 1H5* U 322 1H5* U 322 33.455 34.424 20.682 498 2H5* U 322 2H5* U 322 33.027 35.853 21.622 499 H4* U 322 H4* U 322 33.976 36.330 19.367 500 H3* U 322 H3* U 322 31.289 37.386 20.188 501 H2* U 322 H2* U 322 31.080 38.538 18.135 502 2HO* U 322 2HO* U 322 33.286 38.046 16.810 503 H1* U 322 H1* U 322 32.106 36.270 16.685 504 H3 U 322 H3 U 322 27.998 36.979 14.858 505 H5 U 322 H5 U 322 27.192 35.269 18.595 506 H6 U 322 H6 U 322 29.582 35.483 19.099 507 1H5* G 323 1H5* G 323 33.719 41.412 20.014 508 2H5* G 323 2H5* G 323 33.156 42.134 21.523 509 H4* G 323 H4* G 323 32.738 43.701 19.796 510 H3* G 323 H3* G 323 30.277 42.331 20.826 511 H2* G 323 H2* G 323 28.914 43.660 19.392 512 2HO* G 323 2HO* G 323 31.008 44.943 18.107 513 H1* G 323 H1* G 323 30.427 43.088 17.126 514 H8 G 323 H8 G 323 30.387 40.023 19.206 515 H1 G 323 H1 G 323 24.943 40.833 15.802 516 1H2 G 323 1H2 G 323 24.912 42.731 14.996 517 2H2 G 323 2H2 G 323 26.172 43.925 15.210 518 1H5* G 324 1H5* G 324 27.122 44.619 23.011 519 2H5* G 324 2H5* G 324 26.939 42.895 22.696 520 H4* G 324 H4* G 324 26.501 44.034 20.212 521 H3* G 324 H3* G 324 25.781 46.043 22.243 522 H2* G 324 H2* G 324 23.532 46.260 21.587 523 2HO* G 324 2HO* G 324 23.922 44.405 19.470 524 H1* G 324 H1* G 324 22.873 43.645 21.540 525 H8 G 324 H8 G 324 25.459 43.201 23.977 526 H1 G 324 H1 G 324 20.583 46.661 26.453 527 1H2 G 324 1H2 G 324 19.365 47.326 24.928 528 2H2 G 324 2H2 G 324 19.627 46.994 23.230 529 1H5* A 325 1H5* A 325 24.494 47.928 18.941 530 2H5* A 325 2H5* A 325 25.333 49.432 18.559 531 H4* A 325 H4* A 325 23.133 50.106 18.647 532 H3* A 325 H3* A 325 24.508 50.693 21.222 533 H2* A 325 H2* A 325 22.514 51.434 22.262 534 2HO* A 325 2HO* A 325 20.936 50.908 19.996 535 H1* A 325 H1* A 325 20.997 49.241 21.481 536 H8 A 325 H8 A 325 24.342 47.860 22.133 537 1H6 A 325 1H6 A 325 22.937 47.871 28.214 538 2H6 A 325 2H6 A 325 24.089 47.301 27.027 539 H2 A 325 H2 A 325 19.823 50.201 26.064 540 1H5* A 326 1H5* A 326 23.952 55.368 20.338 541 2H5* A 326 2H5* A 326 24.931 55.822 21.732 542 H4* A 326 H4* A 326 22.319 56.127 21.727 543 H3* A 326 H3* A 326 24.140 55.414 23.981 544 H2* A 326 H2* A 326 22.303 55.142 25.479 545 2HO* A 326 2HO* A 326 20.737 55.886 23.178 546 H1* A 326 H1* A 326 20.941 53.408 23.803 547 H8 A 326 H8 A 326 24.222 52.254 23.016 548 1H6 A 326 1H6 A 326 24.635 49.557 28.629 549 2H6 A 326 2H6 A 326 25.357 49.636 27.038 550 H2 A 326 H2 A 326 21.183 52.355 28.681 551 1H5* C 327 1H5* C 327 21.520 57.946 25.715 552 2H5* C 327 2H5* C 327 22.302 59.296 26.536 553 H4* C 327 H4* C 327 20.872 58.206 28.098 554 H3* C 327 H3* C 327 23.805 57.796 28.574 555 H2* C 327 H2* C 327 23.330 56.570 30.560 556 2HO* C 327 2HO* C 327 21.112 56.581 31.281 557 H1* C 327 H1* C 327 21.507 54.884 29.323 558 1H4 C 327 1H4 C 327 27.215 52.009 28.820 559 2H4 C 327 2H4 C 327 27.364 52.702 27.220 560 H5 C 327 H5 C 327 25.841 54.265 26.315 561 H6 C 327 H6 C 327 23.779 55.561 26.729 562 1H5* U 328 1H5* U 328 22.090 58.720 32.125 563 2H5* U 328 2H5* U 328 22.807 60.120 32.922 564 H4* U 328 H4* U 328 22.652 58.371 34.525 565 H3* U 328 H3* U 328 25.459 58.896 33.572 566 H2* U 328 H2* U 328 26.274 57.347 35.176 567 2HO* U 328 2HO* U 328 24.828 57.964 36.817 568 H1* U 328 H1* U 328 24.392 55.384 34.510 569 H3 U 328 H3 U 328 28.663 54.193 33.142 570 H5 U 328 H5 U 328 26.871 56.142 29.898 571 H6 U 328 H6 U 328 25.063 56.800 31.418 572 1H5* G 329 1H5* G 329 27.282 60.043 38.825 573 2H5* G 329 2H5* G 329 27.872 60.987 37.457 574 H4* G 329 H4* G 329 28.983 58.649 38.588 575 H3* G 329 H3* G 329 29.699 60.370 36.211 576 H2* G 329 H2* G 329 31.442 58.863 35.712 577 2HO* G 329 2HO* G 329 32.133 57.457 37.401 578 H1* G 329 H1* G 329 29.753 56.615 36.435 579 H8 G 329 H8 G 329 28.171 58.778 33.890 580 H1 G 329 H1 G 329 32.442 54.633 31.348 581 1H2 G 329 1H2 G 329 33.543 53.765 32.860 582 2H2 G 329 2H2 G 329 33.340 54.109 34.563 583 1H5* U 330 1H5* U 330 32.133 62.035 35.019 584 2H5* U 330 2H5* U 330 32.074 60.342 34.528 585 H4* U 330 H4* U 330 34.040 61.866 33.759 586 H3* U 330 H3* U 330 34.259 59.015 34.703 587 H2* U 330 H2* U 330 36.565 59.053 34.359 588 2HO* U 330 2HO* U 330 36.673 59.913 32.334 589 H1* U 330 H1* U 330 36.661 61.899 35.086 590 H3 U 330 H3 U 330 39.747 60.956 38.162 591 H5 U 330 H5 U 330 37.005 57.836 38.690 592 H6 U 330 H6 U 330 35.707 58.796 36.845 593 1H5* G 331 1H5* G 331 37.056 57.585 31.968 594 2H5* G 331 2H5* G 331 36.091 56.171 31.546 595 H4* G 331 H4* G 331 38.184 55.757 32.904 596 H3* G 331 H3* G 331 35.482 54.690 33.636 597 H2* G 331 H2* G 331 36.369 53.606 35.546 598 2HO* G 331 2HO* G 331 38.853 54.510 34.400 599 H1* G 331 H1* G 331 37.870 55.894 36.311 600 H8 G 331 H8 G 331 34.385 56.744 35.262 601 H1 G 331 H1 G 331 34.845 54.869 41.439 602 1H2 G 331 1H2 G 331 36.729 54.109 41.790 603 2H2 G 331 2H2 G 331 37.997 53.997 40.589 604 1H5* A 332 1H5* A 332 36.250 49.733 30.894 605 2H5* A 332 2H5* A 332 35.000 50.631 31.757 606 H4* A 332 H4* A 332 37.643 49.621 32.736 607 H3* A 332 H3* A 332 34.782 49.434 33.652 608 H2* A 332 H2* A 332 35.544 49.055 35.877 609 2HO* A 332 2HO* A 332 37.524 48.151 36.010 610 H1* A 332 H1* A 332 37.322 51.225 35.796 611 H8 A 332 H8 A 332 34.086 51.973 34.052 612 1H6 A 332 1H6 A 332 31.926 53.851 39.597 613 2H6 A 332 2H6 A 332 31.572 53.789 37.885 614 H2 A 332 H2 A 332 35.885 51.932 40.224 615 1H5* A 333 1H5* A 333 34.704 45.993 36.751 616 2H5* A 333 2H5* A 333 33.789 45.200 35.470 617 H4* A 333 H4* A 333 32.513 45.915 37.549 618 H3* A 333 H3* A 333 31.642 46.541 34.744 619 H2* A 333 H2* A 333 29.650 47.544 35.578 620 2HO* A 333 2HO* A 333 29.693 45.855 37.297 621 H1* A 333 H1* A 333 30.978 49.149 37.408 622 H8 A 333 H8 A 333 33.095 48.744 34.352 623 1H6 A 333 1H6 A 333 29.962 53.568 31.930 624 2H6 A 333 2H6 A 333 31.333 52.507 31.697 625 H2 A 333 H2 A 333 27.944 52.350 35.697 626 1H5* G 334 1H5* G 334 27.942 44.902 37.266 627 2H5* G 334 2H5* G 334 26.752 44.799 35.970 628 H4* G 334 H4* G 334 26.711 46.642 37.950 629 H3* G 334 H3* G 334 25.542 46.666 35.186 630 H2* G 334 H2* G 334 24.749 48.880 35.515 631 2HO* G 334 2HO* G 334 25.867 49.043 38.095 632 H1* G 334 H1* G 334 27.166 49.864 36.434 633 H8 G 334 H8 G 334 28.491 47.556 34.038 634 H1 G 334 H1 G 334 25.384 52.386 31.053 635 1H2 G 334 1H2 G 334 24.222 53.405 32.418 636 2H2 G 334 2H2 G 334 24.107 53.010 34.119 637 1H5* U 335 1H5* U 335 22.705 48.333 37.653 638 2H5* U 335 2H5* U 335 21.076 47.755 37.306 639 H4* U 335 H4* U 335 21.232 50.187 37.150 640 H3* U 335 H3* U 335 20.508 48.610 34.710 641 H2* U 335 H2* U 335 20.285 50.597 33.428 642 2HO* U 335 2HO* U 335 21.048 52.409 35.332 643 H1* U 335 H1* U 335 22.739 51.641 34.259 644 H3 U 335 H3 U 335 22.807 50.236 29.824 645 H5 U 335 H5 U 335 24.269 47.060 32.129 646 H6 U 335 H6 U 335 23.516 48.285 34.115 647 1H5* U 336 1H5* U 336 16.999 51.192 35.291 648 2H5* U 336 2H5* U 336 15.542 50.309 34.838 649 H4* U 336 H4* U 336 15.758 52.233 33.429 650 H3* U 336 H3* U 336 16.154 49.574 32.113 651 H2* U 336 H2* U 336 16.510 50.603 30.005 652 2HO* U 336 2HO* U 336 15.808 52.960 31.507 653 H1* U 336 H1* U 336 18.320 52.493 31.061 654 H3 U 336 H3 U 336 20.753 49.762 28.317 655 H5 U 336 H5 U 336 20.413 47.646 31.916 656 H6 U 336 H6 U 336 18.826 49.361 32.659 657 1H5* C 337 1H5* C 337 13.098 51.268 29.473 658 2H5* C 337 2H5* C 337 12.247 49.878 28.800 659 H4* C 337 H4* C 337 13.593 51.224 27.166 660 H3* C 337 H3* C 337 13.954 48.263 27.490 661 H2* C 337 H2* C 337 15.571 48.233 25.770 662 2HO* C 337 2HO* C 337 14.201 49.802 24.608 663 H1* C 337 H1* C 337 16.799 50.637 26.754 664 1H4 C 337 1H4 C 337 20.666 45.715 28.198 665 2H4 C 337 2H4 C 337 19.915 45.684 29.777 666 H5 C 337 H5 C 337 18.037 46.990 30.368 667 H6 C 337 H6 C 337 16.403 48.665 29.580 668 1H5* G 338 1H5* G 338 12.641 47.886 23.770 669 2H5* G 338 2H5* G 338 11.391 46.660 23.566 670 H4* G 338 H4* G 338 13.363 45.792 22.596 671 H3* G 338 H3* G 338 12.821 44.546 25.298 672 H2* G 338 H2* G 338 14.589 43.062 24.917 673 2HO* G 338 2HO* G 338 15.355 43.292 22.472 674 H1* G 338 H1* G 338 16.031 45.157 23.440 675 H8 G 338 H8 G 338 15.246 45.762 27.051 676 H1 G 338 H1 G 338 20.879 42.726 26.085 677 1H2 G 338 1H2 G 338 21.029 42.164 24.106 678 2H2 G 338 2H2 G 338 19.809 42.471 22.890 679 1H5* G 339 1H5* G 339 12.447 40.723 26.093 680 2H5* G 339 2H5* G 339 13.637 42.014 26.253 681 H4* G 339 H4* G 339 14.603 39.815 24.594 682 H3* G 339 H3* G 339 13.178 38.967 26.932 683 H2* G 339 H2* G 339 14.906 39.190 28.426 684 2HO* G 339 2HO* G 339 16.591 37.438 27.220 685 H1* G 339 H1* G 339 17.205 39.296 26.617 686 H8 G 339 H8 G 339 18.633 41.285 27.329 687 H1 G 339 H1 G 339 13.753 43.870 30.703 688 1H2 G 339 1H2 G 339 12.026 42.802 30.346 689 2H2 G 339 2H2 G 339 11.916 41.413 29.288 690 1H5* A 340 1H5* A 340 13.973 36.803 22.411 691 2H5* A 340 2H5* A 340 15.615 36.941 21.782 692 H4* A 340 H4* A 340 13.374 38.102 20.707 693 H3* A 340 H3* A 340 16.310 38.607 20.351 694 H2* A 340 H2* A 340 15.849 40.477 18.959 695 2HO* A 340 2HO* A 340 13.326 39.201 19.119 696 H1* A 340 H1* A 340 13.903 41.464 20.795 697 H8 A 340 H8 A 340 16.710 40.644 22.911 698 1H6 A 340 1H6 A 340 19.564 45.864 21.023 699 2H6 A 340 2H6 A 340 19.598 44.580 22.211 700 H2 A 340 H2 A 340 16.123 45.105 18.317 701 1H5* A 341 1H5* A 341 14.162 39.265 16.711 702 2H5* A 341 2H5* A 341 15.108 38.672 15.346 703 H4* A 341 H4* A 341 14.494 41.019 15.075 704 H3* A 341 H3* A 341 17.426 40.374 15.348 705 H2* A 341 H2* A 341 17.939 42.634 14.849 706 2HO* A 341 2HO* A 341 15.226 43.338 14.574 707 H1* A 341 H1* A 341 15.988 43.652 16.604 708 H8 A 341 H8 A 341 17.667 40.727 18.170 709 1H6 A 341 1H6 A 341 22.102 44.667 20.108 710 2H6 A 341 2H6 A 341 21.491 43.035 20.260 711 H2 A 341 H2 A 341 19.482 46.824 17.241 712 1H5* C 342 1H5* C 342 17.129 42.164 12.020 713 2H5* C 342 2H5* C 342 17.666 41.496 10.478 714 H4* C 342 H4* C 342 18.723 43.608 10.772 715 H3* C 342 H3* C 342 20.529 41.233 11.038 716 H2* C 342 H2* C 342 22.410 42.650 11.380 717 2HO* C 342 2HO* C 342 22.208 44.600 10.441 718 H1* C 342 H1* C 342 21.205 44.138 13.375 719 1H4 C 342 1H4 C 342 24.101 39.190 16.268 720 2H4 C 342 2H4 C 342 22.536 38.411 16.352 721 H5 C 342 H5 C 342 20.590 39.252 15.312 722 H6 C 342 H6 C 342 19.656 41.067 13.922 723 1H5* A 343 1H5* A 343 22.549 43.740 8.673 724 2H5* A 343 2H5* A 343 23.174 43.029 7.186 725 H4* A 343 H4* A 343 24.996 44.000 8.382 726 H3* A 343 H3* A 343 24.962 40.998 8.341 727 H2* A 343 H2* A 343 27.032 40.940 9.502 728 2HO* A 343 2HO* A 343 27.987 42.688 8.449 729 H1* A 343 H1* A 343 26.240 42.744 11.462 730 H8 A 343 H8 A 343 23.304 40.658 10.493 731 1H6 A 343 1H6 A 343 25.320 36.439 14.627 732 2H6 A 343 2H6 A 343 23.986 36.874 13.581 733 H2 A 343 H2 A 343 28.473 39.533 14.148 734 1H5* C 344 1H5* C 344 28.733 41.760 6.170 735 2H5* C 344 2H5* C 344 28.893 40.479 4.969 736 H4* C 344 H4* C 344 30.704 40.384 6.576 737 H3* C 344 H3* C 344 28.763 38.093 6.542 738 H2* C 344 H2* C 344 30.069 36.950 8.171 739 2HO* C 344 2HO* C 344 31.857 39.168 8.235 740 H1* C 344 H1* C 344 30.240 39.228 9.823 741 1H4 C 344 1H4 C 344 25.425 35.880 12.330 742 2H4 C 344 2H4 C 344 24.374 36.427 11.043 743 H5 C 344 H5 C 344 25.103 37.732 9.214 744 H6 C 344 H6 C 344 27.039 38.843 8.160 745 1H5* C 345 1H5* C 345 32.777 35.980 5.703 746 2H5* C 345 2H5* C 345 32.251 34.337 5.338 747 H4* C 345 H4* C 345 33.488 34.916 7.584 748 H3* C 345 H3* C 345 31.201 32.983 7.218 749 H2* C 345 H2* C 345 31.431 32.346 9.489 750 2HO* C 345 2HO* C 345 33.897 33.125 8.866 751 H1* C 345 H1* C 345 31.668 35.028 10.369 752 1H4 C 345 1H4 C 345 25.607 33.201 11.426 753 2H4 C 345 2H4 C 345 25.184 33.944 9.899 754 H5 C 345 H5 C 345 26.767 34.812 8.376 755 H6 C 345 H6 C 345 29.169 35.185 7.939 756 1H5* C 346 1H5* C 346 33.993 30.943 10.264 757 2H5* C 346 2H5* C 346 34.207 29.474 9.311 758 H4* C 346 H4* C 346 33.441 28.950 11.552 759 H3* C 346 H3* C 346 31.584 28.332 9.273 760 H2* C 346 H2* C 346 30.022 27.380 10.764 761 2HO* C 346 2HO* C 346 32.130 27.758 12.693 762 H1* C 346 H1* C 346 30.486 29.499 12.681 763 1H4 C 346 1H4 C 346 24.592 30.349 10.292 764 2H4 C 346 2H4 C 346 25.303 31.374 9.065 765 H5 C 346 H5 C 346 27.629 31.655 8.770 766 H6 C 346 H6 C 346 29.869 31.014 9.587 767 1H5* G 347 1H5* G 347 33.101 24.472 11.051 768 2H5* G 347 2H5* G 347 32.959 23.102 9.948 769 H4* G 347 H4* G 347 31.659 22.792 12.003 770 H3* G 347 H3* G 347 30.230 22.871 9.366 771 H2* G 347 H2* G 347 28.166 22.393 10.450 772 2HO* G 347 2HO* G 347 28.942 22.379 13.037 773 H1* G 347 H1* G 347 28.605 24.369 12.423 774 H8 G 347 H8 G 347 29.635 26.023 9.369 775 H1 G 347 H1 G 347 23.202 25.374 9.636 776 1H2 G 347 1H2 G 347 22.705 24.038 11.126 777 2H2 G 347 2H2 G 347 23.860 23.215 12.150 778 1H5* G 348 1H5* G 348 29.902 18.278 9.727 779 2H5* G 348 2H5* G 348 29.280 17.940 8.112 780 H4* G 348 H4* G 348 27.683 18.062 10.193 781 H3* G 348 H3* G 348 27.123 19.076 7.410 782 H2* G 348 H2* G 348 24.900 19.585 8.090 783 2HO* G 348 2HO* G 348 24.533 17.825 9.418 784 H1* G 348 H1* G 348 25.795 20.860 10.452 785 H8 G 348 H8 G 348 28.118 22.183 8.065 786 H1 G 348 H1 G 348 22.185 24.543 7.006 787 1H2 G 348 1H2 G 348 20.802 23.416 8.038 788 2H2 G 348 2H2 G 348 21.191 22.037 9.041 789 1H5* C 349 1H5* C 349 23.265 18.303 7.959 790 2H5* C 349 2H5* C 349 23.001 16.984 6.819 791 H4* C 349 H4* C 349 21.525 18.690 6.171 792 H3* C 349 H3* C 349 23.940 18.550 4.387 793 H2* C 349 H2* C 349 23.096 20.291 3.054 794 2HO* C 349 2HO* C 349 20.732 19.710 4.586 795 H1* C 349 H1* C 349 22.091 21.683 5.396 796 1H4 C 349 1H4 C 349 26.874 25.279 3.131 797 2H4 C 349 2H4 C 349 28.006 24.255 3.988 798 H5 C 349 H5 C 349 27.390 22.283 5.130 799 H6 C 349 H6 C 349 25.518 20.792 5.741 800 1H5* C 350 1H5* C 350 20.727 16.991 1.543 801 2H5* C 350 2H5* C 350 21.597 16.067 0.319 802 H4* C 350 H4* C 350 20.488 18.191 -0.464 803 H3* C 350 H3* C 350 23.381 17.571 -0.969 804 H2* C 350 H2* C 350 23.633 19.579 -2.197 805 2HO* C 350 2HO* C 350 20.795 19.402 -1.974 806 H1* C 350 H1* C 350 22.150 21.058 -0.235 807 1H4 C 350 1H4 C 350 28.262 22.701 0.654 808 2H4 C 350 2H4 C 350 28.494 21.245 1.595 809 H5 C 350 H5 C 350 26.851 19.567 1.848 810 H6 C 350 H6 C 350 24.557 18.869 1.257 811 1H5* G 351 1H5* G 351 22.152 18.094 -5.003 812 2H5* G 351 2H5* G 351 22.375 16.547 -5.818 813 H4* G 351 H4* G 351 23.523 18.005 -7.187 814 H3* G 351 H3* G 351 25.424 16.646 -5.320 815 H2* G 351 H2* G 351 27.263 17.855 -6.211 816 2HO* G 351 2HO* G 351 25.232 18.773 -8.035 817 H1* G 351 H1* G 351 25.955 20.329 -6.042 818 H8 G 351 H8 G 351 25.436 17.830 -3.222 819 H1 G 351 H1 G 351 30.270 22.030 -2.284 820 1H2 G 351 1H2 G 351 30.548 23.152 -3.991 821 2H2 G 351 2H2 G 351 29.612 22.981 -5.459 822 1H5* C 352 1H5* C 352 27.057 15.749 -9.228 823 2H5* C 352 2H5* C 352 28.082 14.318 -9.164 824 H4* C 352 H4* C 352 29.268 16.500 -9.546 825 H3* C 352 H3* C 352 30.032 14.611 -7.341 826 H2* C 352 H2* C 352 31.814 16.024 -6.702 827 2HO* C 352 2HO* C 352 32.008 16.397 -9.138 828 H1* C 352 H1* C 352 30.190 18.370 -6.980 829 1H4 C 352 1H4 C 352 30.705 17.456 -0.680 830 2H4 C 352 2H4 C 352 29.475 16.216 -0.774 831 H5 C 352 H5 C 352 28.537 15.441 -2.798 832 H6 C 352 H6 C 352 28.549 15.670 -5.257 833 1H5* A 353 1H5* A 353 33.158 13.495 -10.733 834 2H5* A 353 2H5* A 353 33.330 11.747 -10.583 835 H4* A 353 H4* A 353 35.430 12.917 -10.143 836 H3* A 353 H3* A 353 34.178 11.266 -7.993 837 H2* A 353 H2* A 353 35.919 11.789 -6.466 838 2HO* A 353 2HO* A 353 37.807 12.751 -7.322 839 H1* A 353 H1* A 353 35.787 14.539 -6.961 840 H8 A 353 H8 A 353 32.651 12.351 -6.798 841 1H6 A 353 1H6 A 353 32.009 14.551 -0.993 842 2H6 A 353 2H6 A 353 31.267 13.547 -2.218 843 H2 A 353 H2 A 353 35.805 16.139 -2.670 844 1H5* A 354 1H5* A 354 38.175 10.520 -8.216 845 2H5* A 354 2H5* A 354 38.731 8.868 -7.945 846 H4* A 354 H4* A 354 39.754 10.320 -6.333 847 H3* A 354 H3* A 354 37.698 8.422 -5.227 848 H2* A 354 H2* A 354 38.236 9.138 -3.029 849 2HO* A 354 2HO* A 354 40.213 10.135 -2.736 850 H1* A 354 H1* A 354 38.179 11.872 -3.759 851 H8 A 354 H8 A 354 35.344 10.007 -5.301 852 1H6 A 354 1H6 A 354 32.180 11.048 -0.023 853 2H6 A 354 2H6 A 354 32.043 10.462 -1.665 854 H2 A 354 H2 A 354 36.406 12.254 0.629 855 1H5* C 355 1H5* C 355 41.094 7.614 -2.640 856 2H5* C 355 2H5* C 355 41.300 5.867 -2.756 857 H4* C 355 H4* C 355 41.159 6.348 -0.460 858 H3* C 355 H3* C 355 38.635 5.161 -1.557 859 H2* C 355 H2* C 355 37.625 5.218 0.585 860 2HO* C 355 2HO* C 355 39.725 4.625 1.516 861 H1* C 355 H1* C 355 38.513 7.872 1.075 862 1H4 C 355 1H4 C 355 32.394 8.517 -0.625 863 2H4 C 355 2H4 C 355 32.849 8.328 -2.304 864 H5 C 355 H5 C 355 35.038 7.810 -3.023 865 H6 C 355 H6 C 355 37.352 7.342 -2.302 866 1H5* C 356 1H5* C 356 40.561 2.809 1.399 867 2H5* C 356 2H5* C 356 40.177 1.117 1.714 868 H4* C 356 H4* C 356 39.419 2.460 3.552 869 H3* C 356 H3* C 356 37.264 1.242 1.849 870 H2* C 356 H2* C 356 35.606 2.096 3.314 871 2HO* C 356 2HO* C 356 36.298 2.224 5.368 872 H1* C 356 H1* C 356 36.878 4.648 3.420 873 1H4 C 356 1H4 C 356 31.973 5.523 -0.562 874 2H4 C 356 2H4 C 356 32.833 4.655 -1.814 875 H5 C 356 H5 C 356 34.916 3.591 -1.483 876 H6 C 356 H6 C 356 36.703 3.093 0.146 877 1H5* C 357 1H5* C 357 37.147 0.381 5.653 878 2H5* C 357 2H5* C 357 37.503 -1.182 6.389 879 H4* C 357 H4* C 357 35.770 -0.578 7.711 880 H3* C 357 H3* C 357 34.567 -1.999 5.373 881 H2* C 357 H2* C 357 32.368 -1.545 6.126 882 2HO* C 357 2HO* C 357 33.508 -0.222 8.391 883 H1* C 357 H1* C 357 32.755 1.145 6.538 884 1H4 C 357 1H4 C 357 31.063 0.688 0.385 885 2H4 C 357 2H4 C 357 32.754 0.546 -0.038 886 H5 C 357 H5 C 357 34.498 0.370 1.546 887 H6 C 357 H6 C 357 35.052 0.287 3.951 888 1H5* U 358 1H5* U 358 31.751 -2.791 7.987 889 2H5* U 358 2H5* U 358 31.838 -4.519 8.328 890 H4* U 358 H4* U 358 29.615 -4.218 7.782 891 H3* U 358 H3* U 358 31.085 -5.119 5.310 892 H2* U 358 H2* U 358 29.012 -5.237 4.161 893 2HO* U 358 2HO* U 358 27.929 -4.611 6.757 894 H1* U 358 H1* U 358 28.164 -2.723 5.129 895 H3 U 358 H3 U 358 28.710 -1.715 0.774 896 H5 U 358 H5 U 358 32.623 -2.434 2.086 897 H6 U 358 H6 U 358 31.669 -3.120 4.238 898 1H5* G 359 1H5* G 359 27.925 -7.291 6.410 899 2H5* G 359 2H5* G 359 27.856 -9.052 6.394 900 H4* G 359 H4* G 359 25.951 -8.374 5.231 901 H3* G 359 H3* G 359 28.129 -9.248 3.364 902 H2* G 359 H2* G 359 26.733 -8.850 1.491 903 2HO* G 359 2HO* G 359 24.777 -8.369 3.551 904 H1* G 359 H1* G 359 25.878 -6.334 2.500 905 H8 G 359 H8 G 359 29.554 -6.757 2.889 906 H1 G 359 H1 G 359 27.818 -4.826 -3.039 907 1H2 G 359 1H2 G 359 25.773 -4.980 -3.242 908 2H2 G 359 2H2 G 359 24.688 -5.548 -1.992 909 1H5* G 360 1H5* G 360 24.627 -11.510 3.088 910 2H5* G 360 2H5* G 360 24.634 -13.266 2.919 911 H4* G 360 H4* G 360 23.337 -12.560 1.134 912 H3* G 360 H3* G 360 26.151 -13.067 0.207 913 H2* G 360 H2* G 360 25.502 -12.579 -2.029 914 2HO* G 360 2HO* G 360 22.897 -12.421 -0.809 915 H1* G 360 H1* G 360 24.182 -10.213 -1.311 916 H8 G 360 H8 G 360 27.304 -10.622 0.697 917 H1 G 360 H1 G 360 28.322 -8.086 -5.169 918 1H2 G 360 1H2 G 360 26.599 -8.235 -6.292 919 2H2 G 360 2H2 G 360 25.102 -8.941 -5.728 920 1H5* G 361 1H5* G 361 23.560 -16.334 -1.125 921 2H5* G 361 2H5* G 361 24.242 -17.943 -1.362 922 H4* G 361 H4* G 361 23.802 -17.091 -3.511 923 H3* G 361 H3* G 361 26.717 -17.042 -2.803 924 H2* G 361 H2* G 361 27.257 -16.182 -4.948 925 2HO* G 361 2HO* G 361 25.274 -15.983 -6.408 926 H1* G 361 H1* G 361 25.210 -14.234 -4.840 927 H8 G 361 H8 G 361 26.966 -14.477 -1.567 928 H1 G 361 H1 G 361 30.095 -10.808 -5.883 929 1H2 G 361 1H2 G 361 29.230 -11.041 -7.741 930 2H2 G 361 2H2 G 361 27.861 -12.078 -8.079 931 1H5* A 362 1H5* A 362 25.617 -19.741 -5.862 932 2H5* A 362 2H5* A 362 26.381 -21.294 -6.199 933 H4* A 362 H4* A 362 26.655 -20.033 -8.153 934 H3* A 362 H3* A 362 29.178 -20.108 -6.519 935 H2* A 362 H2* A 362 30.318 -18.918 -8.239 936 2HO* A 362 2HO* A 362 29.071 -20.095 -9.855 937 H1* A 362 H1* A 362 28.323 -16.963 -8.434 938 H8 A 362 H8 A 362 28.605 -17.722 -4.848 939 1H6 A 362 1H6 A 362 33.568 -13.944 -4.646 940 2H6 A 362 2H6 A 362 32.421 -14.831 -3.666 941 H2 A 362 H2 A 362 32.544 -14.665 -8.908 942 1H5* G 363 1H5* G 363 32.643 -20.345 -10.393 943 2H5* G 363 2H5* G 363 32.755 -21.811 -9.421 944 H4* G 363 H4* G 363 32.912 -18.947 -8.586 945 H3* G 363 H3* G 363 34.347 -21.191 -7.205 946 H2* G 363 H2* G 363 35.490 -19.347 -6.486 947 2HO* G 363 2HO* G 363 36.684 -18.713 -8.182 948 H1* G 363 H1* G 363 33.961 -17.215 -7.238 949 H8 G 363 H8 G 363 31.679 -20.061 -6.355 950 H1 G 363 H1 G 363 33.642 -16.597 -1.252 951 1H2 G 363 1H2 G 363 35.123 -15.286 -1.837 952 2H2 G 363 2H2 G 363 35.741 -15.148 -3.468 953 1H5* A 364 1H5* A 364 37.031 -22.213 -6.895 954 2H5* A 364 2H5* A 364 37.327 -20.738 -7.814 955 H4* A 364 H4* A 364 39.166 -22.935 -7.087 956 H3* A 364 H3* A 364 39.138 -20.059 -6.897 957 H2* A 364 H2* A 364 40.463 -19.745 -8.767 958 2HO* A 364 2HO* A 364 42.077 -19.324 -7.363 959 H1* A 364 H1* A 364 41.435 -22.627 -8.347 960 H8 A 364 H8 A 364 40.671 -19.935 -10.955 961 1H6 A 364 1H6 A 364 44.659 -23.036 -14.619 962 2H6 A 364 2H6 A 364 43.657 -21.607 -14.506 963 H2 A 364 H2 A 364 44.169 -25.329 -10.845 964 1H5* G 365 1H5* G 365 39.423 -19.195 -2.337 965 2H5* G 365 2H5* G 365 39.895 -18.351 -3.812 966 H4* G 365 H4* G 365 41.055 -17.538 -1.784 967 H3* G 365 H3* G 365 42.362 -18.265 -4.257 968 H2* G 365 H2* G 365 43.970 -19.563 -3.223 969 2HO* G 365 2HO* G 365 44.478 -16.878 -2.311 970 H1* G 365 H1* G 365 43.332 -18.005 -0.657 971 H8 G 365 H8 G 365 46.031 -19.004 -0.465 972 H1 G 365 H1 G 365 43.151 -24.519 1.319 973 1H2 G 365 1H2 G 365 41.166 -24.470 0.763 974 2H2 G 365 2H2 G 365 40.397 -23.135 -0.064 975 1H5* G 366 1H5* G 366 43.917 -15.118 -5.910 976 2H5* G 366 2H5* G 366 44.843 -14.203 -4.721 977 H4* G 366 H4* G 366 43.544 -12.156 -5.447 978 H3* G 366 H3* G 366 41.724 -13.508 -6.697 979 H2* G 366 H2* G 366 43.151 -14.939 -7.985 980 2HO* G 366 2HO* G 366 42.153 -14.334 -9.852 981 H1* G 366 H1* G 366 44.608 -12.478 -9.030 982 H8 G 366 H8 G 366 46.332 -15.049 -6.943 983 H1 G 366 H1 G 366 47.146 -15.921 -13.304 984 1H2 G 366 1H2 G 366 45.878 -14.667 -14.339 985 2H2 G 366 2H2 G 366 44.760 -13.546 -13.594 986 1H5* U 367 1H5* U 367 41.101 -9.665 -9.081 987 2H5* U 367 2H5* U 367 39.884 -8.667 -8.285 988 H4* U 367 H4* U 367 39.533 -9.899 -10.663 989 H3* U 367 H3* U 367 37.579 -8.963 -8.595 990 H2* U 367 H2* U 367 35.767 -9.893 -9.811 991 2HO* U 367 2HO* U 367 37.462 -10.909 -11.819 992 H1* U 367 H1* U 367 36.933 -12.370 -10.158 993 H3 U 367 H3 U 367 34.129 -13.428 -6.808 994 H5 U 367 H5 U 367 36.902 -10.900 -4.948 995 H6 U 367 H6 U 367 37.899 -10.531 -7.157 996 1H5* C 368 1H5* C 368 36.156 -8.122 -11.915 997 2H5* C 368 2H5* C 368 35.531 -6.556 -12.432 998 H4* C 368 H4* C 368 33.757 -8.089 -12.661 999 H3* C 368 H3* C 368 33.429 -6.378 -10.196 1000 H2* C 368 H2* C 368 31.266 -7.297 -9.907 1001 2HO* C 368 2HO* C 368 30.355 -7.604 -11.852 1002 H1* C 368 H1* C 368 32.180 -9.935 -10.485 1003 1H4 C 368 1H4 C 368 31.598 -9.780 -4.129 1004 2H4 C 368 2H4 C 368 33.121 -8.927 -4.020 1005 H5 C 368 H5 C 368 34.346 -8.177 -5.894 1006 H6 C 368 H6 C 368 34.413 -8.060 -8.360 1007 1H5* C 369 1H5* C 369 30.690 -5.697 -12.959 1008 2H5* C 369 2H5* C 369 30.006 -4.188 -13.559 1009 H4* C 369 H4* C 369 28.119 -5.106 -12.710 1010 H3* C 369 H3* C 369 29.376 -3.669 -10.379 1011 H2* C 369 H2* C 369 27.517 -4.281 -9.037 1012 2HO* C 369 2HO* C 369 25.833 -4.075 -10.443 1013 H1* C 369 H1* C 369 27.560 -6.958 -9.921 1014 1H4 C 369 1H4 C 369 30.853 -7.406 -4.502 1015 2H4 C 369 2H4 C 369 32.053 -6.281 -5.099 1016 H5 C 369 H5 C 369 31.924 -5.211 -7.200 1017 H6 C 369 H6 C 369 30.598 -4.955 -9.268 1018 1H5* C 370 1H5* C 370 25.699 -2.223 -11.335 1019 2H5* C 370 2H5* C 370 25.094 -0.597 -11.020 1020 H4* C 370 H4* C 370 23.868 -2.062 -9.631 1021 H3* C 370 H3* C 370 25.959 -0.523 -8.097 1022 H2* C 370 H2* C 370 25.060 -1.397 -6.082 1023 2HO* C 370 2HO* C 370 22.990 -2.407 -6.208 1024 H1* C 370 H1* C 370 24.899 -4.022 -7.150 1025 1H4 C 370 1H4 C 370 30.229 -4.194 -3.666 1026 2H4 C 370 2H4 C 370 31.039 -3.172 -4.832 1027 H5 C 370 H5 C 370 29.975 -2.226 -6.716 1028 H6 C 370 H6 C 370 27.850 -2.025 -7.957 1029 1H5* A 371 1H5* A 371 21.782 1.172 -6.953 1030 2H5* A 371 2H5* A 371 22.032 2.791 -6.302 1031 H4* A 371 H4* A 371 20.833 1.297 -4.752 1032 H3* A 371 H3* A 371 23.466 2.491 -3.936 1033 H2* A 371 H2* A 371 23.238 1.529 -1.770 1034 2HO* A 371 2HO* A 371 21.185 1.110 -1.143 1035 H1* A 371 H1* A 371 22.661 -1.011 -2.748 1036 H8 A 371 H8 A 371 25.123 0.375 -5.105 1037 1H6 A 371 1H6 A 371 29.590 -1.207 -1.043 1038 2H6 A 371 2H6 A 371 29.289 -0.658 -2.677 1039 H2 A 371 H2 A 371 25.656 -1.634 0.979 1040 1H5* G 372 1H5* G 372 20.671 3.117 -0.734 1041 2H5* G 372 2H5* G 372 20.643 4.848 -0.395 1042 H4* G 372 H4* G 372 20.851 3.773 1.689 1043 H3* G 372 H3* G 372 23.395 5.031 0.735 1044 H2* G 372 H2* G 372 24.542 4.332 2.692 1045 2HO* G 372 2HO* G 372 22.984 4.591 4.237 1046 H1* G 372 H1* G 372 23.549 1.698 2.522 1047 H8 G 372 H8 G 372 24.448 2.847 -0.883 1048 H1 G 372 H1 G 372 29.579 0.936 2.568 1049 1H2 G 372 1H2 G 372 29.029 0.692 4.541 1050 2H2 G 372 2H2 G 372 27.419 0.963 5.167 1051 1H5* G 373 1H5* G 373 22.572 6.563 4.583 1052 2H5* G 373 2H5* G 373 22.819 8.300 4.768 1053 H4* G 373 H4* G 373 24.104 7.074 6.414 1054 H3* G 373 H3* G 373 25.591 8.644 4.346 1055 H2* G 373 H2* G 373 27.684 8.015 5.290 1056 2HO* G 373 2HO* G 373 26.717 8.115 7.440 1057 H1* G 373 H1* G 373 27.026 5.294 5.357 1058 H8 G 373 H8 G 373 25.601 6.537 2.212 1059 H1 G 373 H1 G 373 32.022 5.802 1.869 1060 1H2 G 373 1H2 G 373 32.785 5.519 3.763 1061 2H2 G 373 2H2 G 373 31.828 5.487 5.228 1062 1H5* G 374 1H5* G 374 26.191 9.945 8.266 1063 2H5* G 374 2H5* G 374 26.701 11.555 8.772 1064 H4* G 374 H4* G 374 28.495 10.059 9.203 1065 H3* G 374 H3* G 374 28.977 11.865 6.841 1066 H2* G 374 H2* G 374 31.191 11.030 6.682 1067 2HO* G 374 2HO* G 374 32.034 9.966 8.492 1068 H1* G 374 H1* G 374 30.350 8.343 6.979 1069 H8 G 374 H8 G 374 28.009 10.029 4.678 1070 H1 G 374 H1 G 374 33.565 8.371 1.803 1071 1H2 G 374 1H2 G 374 34.942 7.814 3.234 1072 2H2 G 374 2H2 G 374 34.637 7.800 4.957 1073 1H5* U 375 1H5* U 375 32.540 12.103 9.385 1074 2H5* U 375 2H5* U 375 32.763 13.835 9.636 1075 H4* U 375 H4* U 375 34.854 13.022 8.954 1076 H3* U 375 H3* U 375 33.406 14.483 6.783 1077 H2* U 375 H2* U 375 35.201 14.122 5.263 1078 2HO* U 375 2HO* U 375 36.407 12.950 7.603 1079 H1* U 375 H1* U 375 35.338 11.372 5.864 1080 H3 U 375 H3 U 375 33.777 11.367 1.613 1081 H5 U 375 H5 U 375 30.492 12.629 3.882 1082 H6 U 375 H6 U 375 31.988 12.710 5.823 1083 1H5* U 376 1H5* U 376 37.236 16.708 7.040 1084 2H5* U 376 2H5* U 376 36.913 18.364 6.524 1085 H4* U 376 H4* U 376 38.487 17.036 5.076 1086 H3* U 376 H3* U 376 36.068 18.438 3.978 1087 H2* U 376 H2* U 376 36.696 17.814 1.773 1088 2HO* U 376 2HO* U 376 38.959 18.161 2.374 1089 H1* U 376 H1* U 376 37.228 15.136 2.575 1090 H3 U 376 H3 U 376 33.755 15.047 -0.429 1091 H5 U 376 H5 U 376 32.003 15.936 3.269 1092 H6 U 376 H6 U 376 34.269 16.211 4.166 1093 2H ALA 1 HN ALA 1 86.201 7.346 9.932 1094 HA ALA 1 HA ALA 1 86.307 5.642 7.551 1095 1HB ALA 1 1HB ALA 1 85.881 4.863 10.386 1096 2HB ALA 1 2HB ALA 1 84.706 4.196 9.227 1097 3HB ALA 1 3HB ALA 1 86.446 3.894 9.005 1098 H THR 2 HN THR 2 85.094 7.146 6.345 1099 HA THR 2 HA THR 2 82.287 7.265 7.130 1100 HB THR 2 HB THR 2 82.267 9.736 6.716 1101 HG1 THR 2 HG1 THR 2 85.170 9.359 6.744 1102 1HG2 THR 2 1HG2 THR 2 84.479 8.947 8.686 1103 2HG2 THR 2 2HG2 THR 2 83.587 10.487 8.676 1104 3HG2 THR 2 3HG2 THR 2 82.742 8.972 9.076 1105 H VAL 3 HN VAL 3 81.906 5.733 5.484 1106 HA VAL 3 HA VAL 3 82.869 6.031 2.879 1107 HB VAL 3 HB VAL 3 81.047 4.449 2.319 1108 1HG1 VAL 3 1HG1 VAL 3 83.222 3.665 3.186 1109 2HG1 VAL 3 2HG1 VAL 3 82.580 3.741 4.844 1110 3HG1 VAL 3 3HG1 VAL 3 81.885 2.595 3.672 1111 1HG2 VAL 3 1HG2 VAL 3 79.954 3.577 4.640 1112 2HG2 VAL 3 2HG2 VAL 3 80.067 5.321 4.980 1113 3HG2 VAL 3 3HG2 VAL 3 79.170 4.750 3.553 1114 H VAL 4 HN VAL 4 79.927 7.250 4.554 1115 HA VAL 4 HA VAL 4 78.228 8.492 3.763 1116 HB VAL 4 HB VAL 4 79.025 10.725 3.049 1117 1HG1 VAL 4 1HG1 VAL 4 79.806 11.308 5.147 1118 2HG1 VAL 4 2HG1 VAL 4 79.055 9.729 5.479 1119 3HG1 VAL 4 3HG1 VAL 4 80.821 9.853 5.294 1120 1HG2 VAL 4 1HG2 VAL 4 81.855 9.722 3.332 1121 2HG2 VAL 4 2HG2 VAL 4 81.023 9.684 1.759 1122 3HG2 VAL 4 3HG2 VAL 4 81.261 11.233 2.602 1123 H SER 5 HN SER 5 77.967 6.537 2.127 1124 HA SER 5 HA SER 5 78.001 7.769 -0.515 1125 1HB SER 5 2HB SER 5 79.717 6.055 -0.531 1126 2HB SER 5 3HB SER 5 78.660 4.896 0.248 1127 HG SER 5 HG SER 5 78.142 4.279 -1.731 1128 H GLY 6 HN GLY 6 75.805 8.423 -0.427 1129 1HA GLY 6 1HA GLY 6 73.730 7.460 -1.347 1130 2HA GLY 6 2HA GLY 6 73.852 6.221 -0.115 1131 H GLN 7 HN GLN 7 73.632 6.830 2.183 1132 HA GLN 7 HA GLN 7 72.975 9.465 2.870 1133 1HB GLN 7 2HB GLN 7 70.865 8.367 1.599 1134 2HB GLN 7 3HB GLN 7 70.560 7.702 3.192 1135 1HG GLN 7 2HG GLN 7 69.603 9.685 3.743 1136 2HG GLN 7 3HG GLN 7 71.206 10.392 3.713 1137 1HE2 GLN 7 1HE2 GLN 7 69.957 12.311 3.139 1138 2HE2 GLN 7 2HE2 GLN 7 69.590 12.628 1.476 1139 H LYS 8 HN LYS 8 72.976 9.722 5.149 1140 HA LYS 8 HA LYS 8 73.325 7.208 6.632 1141 1HB LYS 8 2HB LYS 8 74.974 9.672 6.519 1142 2HB LYS 8 3HB LYS 8 74.697 9.021 8.122 1143 1HG LYS 8 2HG LYS 8 75.448 7.072 5.951 1144 2HG LYS 8 3HG LYS 8 76.704 8.145 6.538 1145 1HD LYS 8 2HD LYS 8 76.989 6.776 8.322 1146 2HD LYS 8 3HD LYS 8 75.382 7.206 8.873 1147 1HE LYS 8 2HE LYS 8 74.371 5.336 7.735 1148 2HE LYS 8 3HE LYS 8 75.804 5.045 6.769 1149 1HZ LYS 8 1HZ LYS 8 76.877 4.109 8.525 1150 2HZ LYS 8 2HZ LYS 8 76.028 4.913 9.664 1151 3HZ LYS 8 3HZ LYS 8 75.347 3.658 8.873 1152 H GLN 9 HN GLN 9 73.002 7.732 9.141 1153 HA GLN 9 HA GLN 9 70.420 8.056 9.598 1154 1HB GLN 9 2HB GLN 9 72.860 8.240 11.188 1155 2HB GLN 9 3HB GLN 9 71.637 9.318 11.831 1156 1HG GLN 9 2HG GLN 9 71.079 7.331 12.928 1157 2HG GLN 9 3HG GLN 9 70.021 7.239 11.535 1158 1HE2 GLN 9 1HE2 GLN 9 70.684 6.000 9.693 1159 2HE2 GLN 9 2HE2 GLN 9 71.720 4.623 9.873 1160 H ASP 10 HN ASP 10 69.155 9.626 8.634 1161 HA ASP 10 HA ASP 10 69.604 12.302 9.582 1162 1HB ASP 10 2HB ASP 10 69.860 11.425 6.724 1163 2HB ASP 10 3HB ASP 10 68.957 12.902 6.995 1164 H ARG 11 HN ARG 11 67.598 13.715 8.892 1165 HA ARG 11 HA ARG 11 65.334 12.683 9.768 1166 1HB ARG 11 2HB ARG 11 64.146 14.490 8.556 1167 2HB ARG 11 3HB ARG 11 65.671 15.083 9.185 1168 1HG ARG 11 2HG ARG 11 65.834 13.918 6.446 1169 2HG ARG 11 3HG ARG 11 64.843 15.358 6.564 1170 1HD ARG 11 2HD ARG 11 67.481 15.468 7.986 1171 2HD ARG 11 3HD ARG 11 67.557 15.428 6.236 1172 HE ARG 11 HE ARG 11 65.659 17.350 6.635 1173 1HH1 ARG 11 2HH2 ARG 11 68.830 16.872 8.085 1174 2HH1 ARG 11 1HH2 ARG 11 69.101 18.561 8.357 1175 1HH2 ARG 11 2HH1 ARG 11 66.017 19.579 6.995 1176 2HH2 ARG 11 1HH1 ARG 11 67.490 20.111 7.734 1177 H GLN 12 HN GLN 12 63.225 12.089 8.617 1178 HA GLN 12 HA GLN 12 63.884 10.416 6.325 1179 1HB GLN 12 2HB GLN 12 61.963 9.022 6.972 1180 2HB GLN 12 3HB GLN 12 63.070 9.195 8.321 1181 1HG GLN 12 2HG GLN 12 61.393 11.371 8.707 1182 2HG GLN 12 3HG GLN 12 60.286 10.200 8.018 1183 1HE2 GLN 12 1HE2 GLN 12 60.207 11.207 10.651 1184 2HE2 GLN 12 2HE2 GLN 12 60.456 9.907 11.768 1185 H GLY 13 HN GLY 13 61.849 10.040 4.825 1186 1HA GLY 13 1HA GLY 13 59.869 12.056 4.681 1187 2HA GLY 13 2HA GLY 13 61.196 12.453 3.608 1188 H GLY 14 HN GLY 14 58.698 11.939 2.506 1189 1HA GLY 14 1HA GLY 14 58.681 10.626 0.394 1190 2HA GLY 14 2HA GLY 14 59.000 9.216 1.385 1191 H GLU 15 HN GLU 15 56.578 10.787 -0.230 1192 HA GLU 15 HA GLU 15 54.411 10.654 -0.232 1193 1HB GLU 15 2HB GLU 15 55.088 8.363 1.593 1194 2HB GLU 15 3HB GLU 15 53.408 8.856 1.510 1195 1HG GLU 15 2HG GLU 15 53.951 8.827 -1.151 1196 2HG GLU 15 3HG GLU 15 55.148 7.658 -0.629 1197 H ARG 16 HN ARG 16 53.197 12.346 0.482 1198 HA ARG 16 HA ARG 16 53.068 12.702 3.360 1199 1HB ARG 16 2HB ARG 16 53.612 14.840 1.250 1200 2HB ARG 16 3HB ARG 16 53.028 15.251 2.849 1201 1HG ARG 16 2HG ARG 16 55.114 13.575 3.499 1202 2HG ARG 16 3HG ARG 16 55.718 14.265 2.007 1203 1HD ARG 16 2HD ARG 16 56.235 16.200 3.076 1204 2HD ARG 16 3HD ARG 16 54.562 16.412 3.553 1205 HE ARG 16 HE ARG 16 55.041 15.466 5.669 1206 1HH1 ARG 16 2HH2 ARG 16 57.796 15.117 3.510 1207 2HH1 ARG 16 1HH2 ARG 16 58.886 14.640 4.770 1208 1HH2 ARG 16 2HH1 ARG 16 56.476 14.838 7.332 1209 2HH2 ARG 16 1HH1 ARG 16 58.130 14.480 6.958 1210 H ARG 17 HN ARG 17 50.995 13.339 4.132 1211 HA ARG 17 HA ARG 17 49.067 14.328 2.322 1212 1HB ARG 17 2HB ARG 17 49.267 11.550 2.351 1213 2HB ARG 17 3HB ARG 17 48.026 11.825 3.558 1214 1HG ARG 17 2HG ARG 17 46.942 13.425 1.782 1215 2HG ARG 17 3HG ARG 17 48.006 12.644 0.630 1216 1HD ARG 17 2HD ARG 17 47.060 10.414 1.260 1217 2HD ARG 17 3HD ARG 17 46.006 11.186 2.429 1218 HE ARG 17 HE ARG 17 45.386 12.542 0.120 1219 1HH1 ARG 17 2HH2 ARG 17 45.608 9.113 0.875 1220 2HH1 ARG 17 1HH2 ARG 17 44.414 8.649 -0.291 1221 1HH2 ARG 17 2HH1 ARG 17 43.810 11.931 -1.418 1222 2HH2 ARG 17 1HH1 ARG 17 43.385 10.262 -1.604 1223 H ARG 18 HN ARG 18 49.223 15.982 4.053 1224 HA ARG 18 HA ARG 18 48.837 16.862 6.018 1225 1HB ARG 18 2HB ARG 18 46.419 16.604 6.770 1226 2HB ARG 18 3HB ARG 18 46.601 16.999 5.073 1227 1HG ARG 18 2HG ARG 18 46.206 14.699 4.400 1228 2HG ARG 18 3HG ARG 18 46.337 14.123 6.050 1229 1HD ARG 18 2HD ARG 18 44.159 14.637 6.522 1230 2HD ARG 18 3HD ARG 18 44.283 16.224 5.786 1231 HE ARG 18 HE ARG 18 43.244 15.337 3.904 1232 1HH1 ARG 18 2HH2 ARG 18 44.946 12.736 5.552 1233 2HH1 ARG 18 1HH2 ARG 18 44.418 11.515 4.442 1234 1HH2 ARG 18 2HH1 ARG 18 42.547 13.727 2.440 1235 2HH2 ARG 18 1HH1 ARG 18 43.043 12.083 2.660 1236 H SER 19 HN SER 19 50.147 14.149 6.124 1237 HA SER 19 HA SER 19 49.166 12.450 7.942 1238 1HB SER 19 2HB SER 19 51.317 12.192 6.697 1239 2HB SER 19 3HB SER 19 52.065 13.382 7.743 1240 HG SER 19 HG SER 19 50.867 11.464 9.291 1241 H GLN 20 HN GLN 20 51.097 15.450 8.620 1242 HA GLN 20 HA GLN 20 50.004 15.330 11.321 1243 1HB GLN 20 2HB GLN 20 52.673 14.986 10.727 1244 2HB GLN 20 3HB GLN 20 52.615 16.718 10.991 1245 1HG GLN 20 2HG GLN 20 51.036 15.493 13.060 1246 2HG GLN 20 3HG GLN 20 52.534 14.590 12.955 1247 1HE2 GLN 20 1HE2 GLN 20 51.381 16.572 14.904 1248 2HE2 GLN 20 2HE2 GLN 20 52.620 17.754 15.162 1249 H LEU 21 HN LEU 21 48.823 16.639 9.024 1250 HA LEU 21 HA LEU 21 49.549 19.315 8.800 1251 1HB LEU 21 2HB LEU 21 47.723 17.599 7.651 1252 2HB LEU 21 3HB LEU 21 46.696 18.742 8.493 1253 HG LEU 21 HG LEU 21 48.724 19.316 6.328 1254 1HD1 LEU 21 1HD1 LEU 21 46.105 18.602 6.117 1255 2HD1 LEU 21 2HD1 LEU 21 45.978 20.376 6.158 1256 3HD1 LEU 21 3HD1 LEU 21 46.991 19.584 4.927 1257 1HD2 LEU 21 1HD2 LEU 21 47.228 21.339 8.019 1258 2HD2 LEU 21 2HD2 LEU 21 48.980 21.027 8.052 1259 3HD2 LEU 21 3HD2 LEU 21 48.223 21.697 6.587 1260 H ASP 22 HN ASP 22 49.668 20.805 10.385 1261 HA ASP 22 HA ASP 22 47.936 20.445 12.664 1262 1HB ASP 22 2HB ASP 22 50.564 21.132 12.500 1263 2HB ASP 22 3HB ASP 22 49.868 22.739 12.466 1264 H ARG 23 HN ARG 23 46.572 22.262 13.435 1265 HA ARG 23 HA ARG 23 45.318 23.600 11.349 1266 1HB ARG 23 2HB ARG 23 45.187 23.756 14.378 1267 2HB ARG 23 3HB ARG 23 44.310 24.934 13.422 1268 1HG ARG 23 2HG ARG 23 44.018 21.901 13.192 1269 2HG ARG 23 3HG ARG 23 42.886 22.970 13.996 1270 1HD ARG 23 2HD ARG 23 43.372 23.989 11.324 1271 2HD ARG 23 3HD ARG 23 42.988 22.284 11.206 1272 HE ARG 23 HE ARG 23 41.149 23.514 13.031 1273 1HH1 ARG 23 2HH2 ARG 23 41.909 23.425 9.595 1274 2HH1 ARG 23 1HH2 ARG 23 40.289 23.788 9.098 1275 1HH2 ARG 23 2HH1 ARG 23 39.013 23.993 12.375 1276 2HH2 ARG 23 1HH1 ARG 23 38.632 24.113 10.690 1277 H ASP 24 HN ASP 24 48.312 24.182 12.765 1278 HA ASP 24 HA ASP 24 48.135 26.990 12.020 1279 1HB ASP 24 2HB ASP 24 48.676 25.928 14.624 1280 2HB ASP 24 3HB ASP 24 50.208 26.519 14.013 1281 H GLN 25 HN GLN 25 48.990 24.505 10.564 1282 HA GLN 25 HA GLN 25 51.827 25.141 10.306 1283 1HB GLN 25 2HB GLN 25 50.387 22.534 10.455 1284 2HB GLN 25 3HB GLN 25 51.628 22.624 9.222 1285 1HG GLN 25 2HG GLN 25 53.025 23.742 11.253 1286 2HG GLN 25 3HG GLN 25 51.903 22.800 12.214 1287 1HE2 GLN 25 1HE2 GLN 25 54.194 21.950 12.690 1288 2HE2 GLN 25 2HE2 GLN 25 54.691 20.543 11.811 1289 H CYS 26 HN CYS 26 52.505 24.013 7.929 1290 HA CYS 26 HA CYS 26 50.657 25.322 6.073 1291 1HB CYS 26 2HB CYS 26 52.862 26.396 6.185 1292 2HB CYS 26 3HB CYS 26 53.650 24.877 5.812 1293 H ALA 27 HN ALA 27 49.806 24.077 4.386 1294 HA ALA 27 HA ALA 27 50.437 21.235 4.500 1295 1HB ALA 27 1HB ALA 27 48.161 21.319 4.481 1296 2HB ALA 27 2HB ALA 27 48.123 22.933 3.735 1297 3HB ALA 27 3HB ALA 27 48.379 21.491 2.723 1298 H TYR 28 HN TYR 28 52.313 23.299 3.365 1299 HA TYR 28 HA TYR 28 52.410 22.193 0.642 1300 1HB TYR 28 2HB TYR 28 51.710 24.703 1.022 1301 2HB TYR 28 3HB TYR 28 53.333 24.956 1.631 1302 HD1 TYR 28 HD1 TYR 28 51.263 24.822 -1.290 1303 HD2 TYR 28 HD2 TYR 28 55.306 24.421 0.052 1304 HE1 TYR 28 HE1 TYR 28 52.097 25.226 -3.658 1305 HE2 TYR 28 HE2 TYR 28 56.125 24.827 -2.319 1306 HH TYR 28 HH TYR 28 54.566 24.403 -4.860 1307 H CYS 29 HN CYS 29 54.429 24.130 2.974 1308 HA CYS 29 HA CYS 29 56.717 22.569 2.118 1309 1HB CYS 29 2HB CYS 29 58.024 24.225 3.444 1310 2HB CYS 29 3HB CYS 29 57.075 24.945 2.159 1311 H LYS 30 HN LYS 30 54.252 22.642 4.529 1312 HA LYS 30 HA LYS 30 53.883 21.323 6.272 1313 1HB LYS 30 2HB LYS 30 56.539 20.085 5.512 1314 2HB LYS 30 3HB LYS 30 55.580 19.526 6.867 1315 1HG LYS 30 2HG LYS 30 54.353 19.809 4.097 1316 2HG LYS 30 3HG LYS 30 55.244 18.367 4.544 1317 1HD LYS 30 2HD LYS 30 53.714 17.873 6.363 1318 2HD LYS 30 3HD LYS 30 52.952 19.446 6.239 1319 1HE LYS 30 2HE LYS 30 51.817 18.893 4.233 1320 2HE LYS 30 3HE LYS 30 52.942 17.611 3.828 1321 1HZ LYS 30 1HZ LYS 30 51.157 17.490 6.155 1322 2HZ LYS 30 2HZ LYS 30 50.774 16.862 4.697 1323 3HZ LYS 30 3HZ LYS 30 52.048 16.273 5.531 1324 H GLU 31 HN GLU 31 55.245 23.998 6.264 1325 HA GLU 31 HA GLU 31 57.010 23.836 8.506 1326 1HB GLU 31 2HB GLU 31 56.139 25.917 6.560 1327 2HB GLU 31 3HB GLU 31 56.531 26.519 8.159 1328 1HG GLU 31 2HG GLU 31 58.775 25.942 7.990 1329 2HG GLU 31 3HG GLU 31 58.456 24.537 6.992 1330 H LYS 32 HN LYS 32 56.455 25.927 10.156 1331 HA LYS 32 HA LYS 32 53.656 25.596 10.943 1332 1HB LYS 32 2HB LYS 32 54.903 24.006 12.283 1333 2HB LYS 32 3HB LYS 32 56.071 25.231 12.739 1334 1HG LYS 32 2HG LYS 32 53.148 25.761 13.296 1335 2HG LYS 32 3HG LYS 32 53.998 24.626 14.327 1336 1HD LYS 32 2HD LYS 32 54.943 26.342 15.465 1337 2HD LYS 32 3HD LYS 32 55.717 26.906 13.998 1338 1HE LYS 32 2HE LYS 32 54.320 28.690 13.899 1339 2HE LYS 32 3HE LYS 32 52.923 27.633 13.859 1340 1HZ LYS 32 1HZ LYS 32 54.319 28.380 16.332 1341 2HZ LYS 32 2HZ LYS 32 52.988 29.141 15.772 1342 3HZ LYS 32 3HZ LYS 32 52.905 27.572 16.214 1343 H GLY 33 HN GLY 33 52.672 27.524 11.259 1344 1HA GLY 33 1HA GLY 33 53.053 29.651 12.581 1345 2HA GLY 33 2HA GLY 33 54.426 29.885 11.518 1346 H HIS 34 HN HIS 34 53.421 28.966 9.036 1347 HA HIS 34 HA HIS 34 51.258 30.896 8.604 1348 1HB HIS 34 2HB HIS 34 52.172 31.376 6.453 1349 2HB HIS 34 3HB HIS 34 53.454 31.535 7.636 1350 HD1 HIS 34 HD1 HIS 34 55.392 29.769 7.576 1351 HD2 HIS 34 HD2 HIS 34 52.502 29.292 4.574 1352 HE1 HIS 34 HE1 HIS 34 56.388 28.146 5.877 1353 H TRP 35 HN TRP 35 49.981 30.332 6.481 1354 HA TRP 35 HA TRP 35 49.382 27.464 6.646 1355 1HB TRP 35 2HB TRP 35 47.734 29.910 6.259 1356 2HB TRP 35 3HB TRP 35 47.246 28.468 5.390 1357 HD1 TRP 35 HD1 TRP 35 48.533 28.768 9.078 1358 HE1 TRP 35 HE1 TRP 35 46.820 27.649 10.744 1359 HE3 TRP 35 HE3 TRP 35 45.086 27.554 5.543 1360 HZ2 TRP 35 HZ2 TRP 35 44.273 26.409 10.404 1361 HZ3 TRP 35 HZ3 TRP 35 43.013 26.391 6.294 1362 HH2 TRP 35 HH2 TRP 35 42.580 25.817 8.631 1363 H ALA 36 HN ALA 36 48.554 26.558 4.451 1364 HA ALA 36 HA ALA 36 50.590 26.793 2.576 1365 1HB ALA 36 1HB ALA 36 47.759 25.699 2.455 1366 2HB ALA 36 2HB ALA 36 48.920 25.535 1.116 1367 3HB ALA 36 3HB ALA 36 49.274 24.797 2.697 1368 H LYS 37 HN LYS 37 47.406 28.426 2.891 1369 HA LYS 37 HA LYS 37 47.529 29.645 0.341 1370 1HB LYS 37 2HB LYS 37 45.844 29.951 2.806 1371 2HB LYS 37 3HB LYS 37 45.770 31.185 1.564 1372 1HG LYS 37 2HG LYS 37 44.136 29.742 0.759 1373 2HG LYS 37 3HG LYS 37 45.529 29.084 -0.074 1374 1HD LYS 37 2HD LYS 37 45.288 27.922 2.606 1375 2HD LYS 37 3HD LYS 37 43.798 27.712 1.707 1376 1HE LYS 37 2HE LYS 37 46.225 27.166 0.090 1377 2HE LYS 37 3HE LYS 37 46.064 26.103 1.475 1378 1HZ LYS 37 1HZ LYS 37 43.815 26.607 -0.331 1379 2HZ LYS 37 2HZ LYS 37 44.907 25.429 -0.628 1380 3HZ LYS 37 3HZ LYS 37 44.001 25.380 0.730 1381 H ASP 38 HN ASP 38 49.494 29.997 3.033 1382 HA ASP 38 HA ASP 38 50.125 32.709 2.185 1383 1HB ASP 38 2HB ASP 38 49.083 32.038 4.679 1384 2HB ASP 38 3HB ASP 38 50.806 32.011 4.994 1385 H CYS 39 HN CYS 39 51.139 29.893 1.534 1386 HA CYS 39 HA CYS 39 53.572 29.529 2.916 1387 1HB CYS 39 2HB CYS 39 52.288 27.716 1.756 1388 2HB CYS 39 3HB CYS 39 52.759 28.406 0.216 1389 HA PRO 40 HA PRO 40 55.834 32.506 0.642 1390 1HB PRO 40 2HB PRO 40 58.334 31.951 1.595 1391 2HB PRO 40 3HB PRO 40 57.187 32.964 2.448 1392 1HG PRO 40 2HG PRO 40 57.993 30.179 3.030 1393 2HG PRO 40 3HG PRO 40 57.197 31.335 4.081 1394 1HD PRO 40 2HD PRO 40 55.975 29.122 2.727 1395 2HD PRO 40 3HD PRO 40 55.161 30.344 3.682 1396 H LYS 41 HN LYS 41 55.693 29.333 0.018 1397 HA LYS 41 HA LYS 41 57.821 29.430 -1.972 1398 1HB LYS 41 2HB LYS 41 56.230 27.240 -0.668 1399 2HB LYS 41 3HB LYS 41 56.982 26.951 -2.224 1400 1HG LYS 41 2HG LYS 41 59.053 26.795 -1.296 1401 2HG LYS 41 3HG LYS 41 58.855 28.307 -0.433 1402 1HD LYS 41 2HD LYS 41 58.651 27.139 1.497 1403 2HD LYS 41 3HD LYS 41 57.148 26.466 0.900 1404 1HE LYS 41 2HE LYS 41 58.093 24.424 0.528 1405 2HE LYS 41 3HE LYS 41 59.459 25.122 -0.318 1406 1HZ LYS 41 1HZ LYS 41 59.791 23.967 1.937 1407 2HZ LYS 41 2HZ LYS 41 60.629 25.330 1.611 1408 3HZ LYS 41 3HZ LYS 41 59.313 25.391 2.575 1409 H LYS 42 HN LYS 42 54.412 29.925 -1.582 1410 HA LYS 42 HA LYS 42 53.241 29.020 -3.811 1411 1HB LYS 42 2HB LYS 42 52.942 31.517 -2.202 1412 2HB LYS 42 3HB LYS 42 52.089 31.432 -3.729 1413 1HG LYS 42 2HG LYS 42 51.661 28.898 -2.540 1414 2HG LYS 42 3HG LYS 42 51.527 30.032 -1.212 1415 1HD LYS 42 2HD LYS 42 49.946 31.418 -2.692 1416 2HD LYS 42 3HD LYS 42 49.957 30.082 -3.827 1417 1HE LYS 42 2HE LYS 42 49.427 28.782 -1.422 1418 2HE LYS 42 3HE LYS 42 48.598 30.308 -1.196 1419 1HZ LYS 42 1HZ LYS 42 47.321 28.514 -2.329 1420 2HZ LYS 42 2HZ LYS 42 47.341 29.946 -3.114 1421 3HZ LYS 42 3HZ LYS 42 48.280 28.716 -3.635 1422 HA PRO 43 HA PRO 43 55.929 30.810 -6.826 1423 1HB PRO 43 2HB PRO 43 55.468 28.957 -8.781 1424 2HB PRO 43 3HB PRO 43 56.729 28.785 -7.576 1425 1HG PRO 43 2HG PRO 43 54.128 27.392 -7.747 1426 2HG PRO 43 3HG PRO 43 55.552 26.948 -6.828 1427 1HD PRO 43 2HD PRO 43 53.156 28.149 -5.805 1428 2HD PRO 43 3HD PRO 43 54.623 27.812 -4.910 1429 H ARG 44 HN ARG 44 55.721 31.919 -8.870 1430 HA ARG 44 HA ARG 44 52.926 32.169 -9.592 1431 1HB ARG 44 2HB ARG 44 53.181 34.653 -9.760 1432 2HB ARG 44 3HB ARG 44 53.420 34.091 -8.118 1433 1HG ARG 44 2HG ARG 44 55.664 34.632 -8.104 1434 2HG ARG 44 3HG ARG 44 55.897 34.173 -9.779 1435 1HD ARG 44 2HD ARG 44 55.061 36.262 -10.599 1436 2HD ARG 44 3HD ARG 44 54.285 36.653 -9.077 1437 HE ARG 44 HE ARG 44 56.997 36.423 -8.437 1438 1HH1 ARG 44 2HH2 ARG 44 55.100 38.371 -10.672 1439 2HH1 ARG 44 1HH2 ARG 44 56.197 39.711 -10.633 1440 1HH2 ARG 44 2HH1 ARG 44 58.443 38.191 -8.387 1441 2HH2 ARG 44 1HH1 ARG 44 58.111 39.608 -9.325 1442 H GLY 45 HN GLY 45 52.590 32.790 -11.847 1443 1HA GLY 45 1HA GLY 45 53.107 32.970 -14.030 1444 2HA GLY 45 2HA GLY 45 54.718 33.489 -13.577 1445 HA PRO 46 HA PRO 46 55.117 33.252 -15.531 1446 1HB PRO 46 2HB PRO 46 55.324 32.391 -18.118 1447 2HB PRO 46 3HB PRO 46 56.711 32.632 -17.073 1448 1HG PRO 46 2HG PRO 46 55.449 30.098 -17.923 1449 2HG PRO 46 3HG PRO 46 57.046 30.358 -17.251 1450 1HD PRO 46 2HD PRO 46 54.757 29.308 -15.878 1451 2HD PRO 46 3HD PRO 46 56.321 29.676 -15.179 1452 H ARG 47 HN ARG 47 53.857 34.532 -17.142 1453 HA ARG 47 HA ARG 47 51.384 33.245 -17.794 1454 1HB ARG 47 2HB ARG 47 49.993 35.017 -16.706 1455 2HB ARG 47 3HB ARG 47 50.906 34.100 -15.525 1456 1HG ARG 47 2HG ARG 47 51.993 35.962 -14.818 1457 2HG ARG 47 3HG ARG 47 52.521 36.336 -16.448 1458 1HD ARG 47 2HD ARG 47 51.111 38.120 -16.398 1459 2HD ARG 47 3HD ARG 47 49.779 36.983 -16.482 1460 HE ARG 47 HE ARG 47 50.826 37.356 -13.766 1461 1HH1 ARG 47 2HH2 ARG 47 48.554 38.540 -16.177 1462 2HH1 ARG 47 1HH2 ARG 47 47.513 39.291 -15.014 1463 1HH2 ARG 47 2HH1 ARG 47 49.454 38.347 -12.230 1464 2HH2 ARG 47 1HH1 ARG 47 48.029 39.180 -12.754 1465 H GLY 48 HN GLY 48 53.228 33.941 -19.640 1466 1HA GLY 48 1HA GLY 48 52.070 35.501 -21.486 1467 2HA GLY 48 2HA GLY 48 52.896 36.690 -20.501 1468 HA PRO 49 HA PRO 49 56.068 33.864 -22.665 1469 1HB PRO 49 2HB PRO 49 55.252 32.678 -24.989 1470 2HB PRO 49 3HB PRO 49 55.291 31.843 -23.449 1471 1HG PRO 49 2HG PRO 49 52.957 32.885 -24.933 1472 2HG PRO 49 3HG PRO 49 52.997 31.702 -23.642 1473 1HD PRO 49 2HD PRO 49 52.208 34.451 -23.426 1474 2HD PRO 49 3HD PRO 49 52.360 33.299 -22.115 1475 H ARG 50 HN ARG 50 57.522 34.173 -24.575 1476 HA ARG 50 HA ARG 50 56.766 36.753 -25.679 1477 1HB ARG 50 2HB ARG 50 59.118 35.918 -24.371 1478 2HB ARG 50 3HB ARG 50 59.578 35.924 -26.062 1479 1HG ARG 50 2HG ARG 50 58.385 38.292 -26.110 1480 2HG ARG 50 3HG ARG 50 58.582 38.233 -24.369 1481 1HD ARG 50 2HD ARG 50 61.093 37.616 -24.909 1482 2HD ARG 50 3HD ARG 50 60.740 38.242 -26.506 1483 HE ARG 50 HE ARG 50 59.867 40.327 -25.116 1484 1HH1 ARG 50 2HH2 ARG 50 62.663 38.322 -24.373 1485 2HH1 ARG 50 1HH2 ARG 50 63.521 39.594 -23.567 1486 1HH2 ARG 50 2HH1 ARG 50 60.998 42.004 -24.053 1487 2HH2 ARG 50 1HH1 ARG 50 62.567 41.702 -23.384 1488 HA PRO 51 HA PRO 51 56.606 34.666 -29.533 1489 1HB PRO 51 2HB PRO 51 56.096 36.819 -31.138 1490 2HB PRO 51 3HB PRO 51 54.847 35.968 -30.250 1491 1HG PRO 51 2HG PRO 51 56.064 38.599 -29.673 1492 2HG PRO 51 3HG PRO 51 54.558 37.931 -29.076 1493 1HD PRO 51 2HD PRO 51 57.034 38.139 -27.641 1494 2HD PRO 51 3HD PRO 51 55.562 37.367 -27.086 1495 H GLN 52 HN GLN 52 57.727 34.315 -31.534 1496 HA GLN 52 HA GLN 52 59.885 36.023 -32.106 1497 1HB GLN 52 2HB GLN 52 61.742 34.481 -31.604 1498 2HB GLN 52 3HB GLN 52 60.880 34.905 -30.139 1499 1HG GLN 52 2HG GLN 52 59.466 32.718 -30.660 1500 2HG GLN 52 3HG GLN 52 60.834 32.290 -31.669 1501 1HE2 GLN 52 1HE2 GLN 52 62.822 31.856 -30.777 1502 2HE2 GLN 52 2HE2 GLN 52 63.077 31.571 -29.088 1503 H THR 53 HN THR 53 60.248 35.849 -34.289 1504 HA THR 53 HA THR 53 59.713 33.256 -35.549 1505 HB THR 53 HB THR 53 57.655 34.680 -35.725 1506 HG1 THR 53 HG1 THR 53 58.737 33.298 -37.519 1507 1HG2 THR 53 1HG2 THR 53 59.451 36.822 -36.031 1508 2HG2 THR 53 2HG2 THR 53 58.871 36.525 -37.688 1509 3HG2 THR 53 3HG2 THR 53 57.708 36.877 -36.387 1510 H SER 54 HN SER 54 61.179 32.651 -37.052 1511 HA SER 54 HA SER 54 63.199 34.668 -37.635 1512 1HB SER 54 2HB SER 54 63.375 31.944 -36.721 1513 2HB SER 54 3HB SER 54 64.080 32.010 -38.324 1514 HG SER 54 HG SER 54 64.953 34.188 -36.957 1515 H LEU 55 HN LEU 55 64.185 34.579 -39.858 1516 HA LEU 55 HA LEU 55 62.866 33.063 -41.869 1517 1HB LEU 55 2HB LEU 55 61.268 34.986 -41.259 1518 2HB LEU 55 3HB LEU 55 62.431 36.032 -42.049 1519 HG LEU 55 HG LEU 55 61.792 33.775 -43.752 1520 1HD1 LEU 55 1HD1 LEU 55 59.363 35.198 -43.925 1521 2HD1 LEU 55 2HD1 LEU 55 59.613 33.501 -43.454 1522 3HD1 LEU 55 3HD1 LEU 55 59.582 34.775 -42.211 1523 1HD2 LEU 55 1HD2 LEU 55 61.213 36.717 -44.157 1524 2HD2 LEU 55 2HD2 LEU 55 62.814 35.977 -44.390 1525 3HD2 LEU 55 3HD2 LEU 55 61.442 35.462 -45.399 1526 H LEU 56 HN LEU 56 63.723 33.872 -44.130 1527 HA LEU 56 HA LEU 56 66.425 33.637 -44.151 1528 1HB LEU 56 2HB LEU 56 64.888 33.382 -46.065 1529 2HB LEU 56 3HB LEU 56 64.715 35.123 -46.149 1530 HG LEU 56 HG LEU 56 67.421 33.811 -46.389 1531 1HD1 LEU 56 1HD1 LEU 56 67.212 33.565 -48.717 1532 2HD1 LEU 56 2HD1 LEU 56 65.726 32.857 -48.039 1533 3HD1 LEU 56 3HD1 LEU 56 65.687 34.480 -48.768 1534 1HD2 LEU 56 1HD2 LEU 56 66.268 36.512 -47.064 1535 2HD2 LEU 56 2HD2 LEU 56 67.681 36.106 -46.061 1536 3HD2 LEU 56 3HD2 LEU 56 67.761 35.918 -47.829 Start of MODEL 19 1 1H5* G 276 1H5* G 276 55.344 17.576 -24.354 2 2H5* G 276 2H5* G 276 55.948 18.483 -22.968 3 H4* G 276 H4* G 276 57.029 16.288 -23.224 4 H3* G 276 H3* G 276 59.343 16.942 -22.972 5 H2* G 276 H2* G 276 58.940 18.459 -21.189 6 2HO* G 276 2HO* G 276 57.826 19.714 -23.215 7 H1* G 276 H1* G 276 56.159 17.753 -21.157 8 H8 G 276 H8 G 276 58.325 14.743 -21.195 9 H1 G 276 H1 G 276 57.652 17.302 -15.288 10 1H2 G 276 1H2 G 276 56.762 19.155 -15.438 11 2H2 G 276 2H2 G 276 56.271 19.905 -16.940 12 1H5* G 277 1H5* G 277 60.060 20.793 -22.038 13 2H5* G 277 2H5* G 277 61.598 21.190 -22.804 14 H4* G 277 H4* G 277 62.030 21.657 -20.596 15 H3* G 277 H3* G 277 62.912 18.810 -21.081 16 H2* G 277 H2* G 277 63.797 18.763 -18.896 17 2HO* G 277 2HO* G 277 64.767 20.711 -18.669 18 H1* G 277 H1* G 277 61.542 20.241 -17.866 19 H8 G 277 H8 G 277 60.643 17.236 -19.894 20 H1 G 277 H1 G 277 61.836 15.897 -13.675 21 1H2 G 277 1H2 G 277 62.646 17.555 -12.757 22 2H2 G 277 2H2 G 277 62.957 19.082 -13.553 23 1H5* C 278 1H5* C 278 67.208 20.592 -20.426 24 2H5* C 278 2H5* C 278 68.092 19.332 -21.288 25 H4* C 278 H4* C 278 68.588 19.546 -18.830 26 H3* C 278 H3* C 278 67.759 16.938 -20.078 27 H2* C 278 H2* C 278 68.101 15.839 -18.005 28 2HO* C 278 2HO* C 278 69.095 17.217 -16.294 29 H1* C 278 H1* C 278 66.743 17.862 -16.553 30 1H4 C 278 1H4 C 278 62.488 13.141 -17.231 31 2H4 C 278 2H4 C 278 62.094 13.752 -18.821 32 H5 C 278 H5 C 278 63.244 15.529 -19.871 33 H6 C 278 H6 C 278 65.073 17.173 -19.650 34 1H5* G 279 1H5* G 279 71.723 16.622 -18.408 35 2H5* G 279 2H5* G 279 72.780 15.416 -19.141 36 H4* G 279 H4* G 279 72.448 14.923 -16.801 37 H3* G 279 H3* G 279 71.181 12.971 -18.723 38 H2* G 279 H2* G 279 70.707 11.552 -16.880 39 2HO* G 279 2HO* G 279 71.866 11.903 -14.977 40 H1* G 279 H1* G 279 69.769 13.738 -15.312 41 H8 G 279 H8 G 279 68.330 13.983 -18.701 42 H1 G 279 H1 G 279 65.265 9.649 -14.999 43 1H2 G 279 1H2 G 279 66.372 9.293 -13.296 44 2H2 G 279 2H2 G 279 67.901 10.056 -12.926 45 1H5* G 280 1H5* G 280 74.568 10.105 -16.573 46 2H5* G 280 2H5* G 280 74.786 9.184 -18.060 47 H4* G 280 H4* G 280 74.211 7.830 -16.035 48 H3* G 280 H3* G 280 72.569 7.688 -18.549 49 H2* G 280 H2* G 280 71.243 5.967 -17.591 50 2HO* G 280 2HO* G 280 73.192 6.195 -15.481 51 H1* G 280 H1* G 280 70.834 7.329 -15.193 52 H8 G 280 H8 G 280 70.821 9.870 -17.885 53 H1 G 280 H1 G 280 65.239 6.622 -17.465 54 1H2 G 280 1H2 G 280 65.480 4.995 -16.222 55 2H2 G 280 2H2 G 280 66.974 4.573 -15.414 56 1H5* U 281 1H5* U 281 73.099 4.228 -17.611 57 2H5* U 281 2H5* U 281 74.042 3.074 -18.554 58 H4* U 281 H4* U 281 72.087 1.918 -18.190 59 H3* U 281 H3* U 281 71.812 3.314 -20.853 60 H2* U 281 H2* U 281 69.770 2.167 -21.183 61 2HO* U 281 2HO* U 281 70.770 0.233 -20.260 62 H1* U 281 H1* U 281 68.941 2.619 -18.491 63 H3 U 281 H3 U 281 65.860 4.769 -21.077 64 H5 U 281 H5 U 281 69.189 7.309 -21.066 65 H6 U 281 H6 U 281 70.428 5.519 -19.937 66 2HO* AP7 282 2HO* A 282 67.388 -1.806 -23.020 67 H2* AP7 282 H2* A 282 67.938 -0.005 -24.981 68 H3* AP7 282 H3* A 282 70.302 0.085 -24.809 69 H4* AP7 282 H4* A 282 70.173 -1.974 -22.610 70 H1* AP7 282 H1* A 282 67.581 0.117 -22.179 71 H8 AP7 282 H8 A 282 70.228 2.425 -23.541 72 H2 AP7 282 H2 A 282 63.833 2.800 -23.002 73 H1 AP7 282 H1 A 282 64.271 4.943 -23.562 74 1H6 AP7 282 1H6 A 282 65.695 6.676 -24.120 75 2H6 AP7 282 2H6 A 282 67.423 6.422 -24.229 76 2H5* AP7 282 2H5* A 282 72.375 -1.289 -23.537 77 1H5* AP7 282 1H5* A 282 72.199 -1.017 -21.805 78 1H5* C 283 1H5* C 283 68.310 -3.185 -26.298 79 2H5* C 283 2H5* C 283 68.337 -3.497 -28.032 80 H4* C 283 H4* C 283 66.113 -2.886 -27.383 81 H3* C 283 H3* C 283 67.570 -0.827 -29.026 82 H2* C 283 H2* C 283 65.588 0.476 -29.127 83 2HO* C 283 2HO* C 283 64.414 -1.738 -27.707 84 H1* C 283 H1* C 283 65.089 0.260 -26.377 85 1H4 C 283 1H4 C 283 68.248 5.775 -27.110 86 2H4 C 283 2H4 C 283 69.753 4.899 -26.941 87 H5 C 283 H5 C 283 69.898 2.546 -26.805 88 H6 C 283 H6 C 283 68.621 0.432 -26.798 89 1H5* U 284 1H5* U 284 64.173 -1.320 -30.618 90 2H5* U 284 2H5* U 284 64.027 -2.027 -32.227 91 H4* U 284 H4* U 284 62.615 -0.216 -32.366 92 H3* U 284 H3* U 284 65.303 0.591 -33.442 93 H2* U 284 H2* U 284 64.443 2.737 -33.986 94 2HO* U 284 2HO* U 284 62.215 2.946 -34.123 95 H1* U 284 H1* U 284 63.258 3.120 -31.489 96 H3 U 284 H3 U 284 66.807 5.934 -31.349 97 H5 U 284 H5 U 284 68.511 2.144 -30.823 98 H6 U 284 H6 U 284 66.300 1.193 -31.292 99 1H5* A 285 1H5* A 285 62.412 1.945 -36.754 100 2H5* A 285 2H5* A 285 63.458 1.736 -38.159 101 H4* A 285 H4* A 285 62.589 4.073 -37.711 102 H3* A 285 H3* A 285 65.513 3.479 -38.124 103 H2* A 285 H2* A 285 65.957 5.810 -38.116 104 2HO* A 285 2HO* A 285 64.054 7.219 -38.163 105 H1* A 285 H1* A 285 64.367 6.267 -35.834 106 H8 A 285 H8 A 285 66.275 3.138 -35.318 107 1H6 A 285 1H6 A 285 71.069 6.665 -33.442 108 2H6 A 285 2H6 A 285 70.468 5.025 -33.536 109 H2 A 285 H2 A 285 67.998 9.332 -35.227 110 1H5* G 286 1H5* G 286 64.573 6.787 -40.808 111 2H5* G 286 2H5* G 286 65.410 6.410 -42.314 112 H4* G 286 H4* G 286 66.059 8.596 -41.504 113 H3* G 286 H3* G 286 68.207 6.478 -41.450 114 H2* G 286 H2* G 286 69.786 8.159 -40.887 115 2HO* G 286 2HO* G 286 68.411 9.567 -42.376 116 H1* G 286 H1* G 286 68.057 9.291 -38.939 117 H8 G 286 H8 G 286 67.987 5.620 -38.574 118 H1 G 286 H1 G 286 73.260 8.285 -35.934 119 1H2 G 286 1H2 G 286 73.411 10.252 -36.532 120 2H2 G 286 2H2 G 286 72.277 11.060 -37.592 121 1H5* U 287 1H5* U 287 69.540 9.585 -44.022 122 2H5* U 287 2H5* U 287 70.703 9.056 -45.237 123 H4* U 287 H4* U 287 71.703 10.658 -43.712 124 H3* U 287 H3* U 287 72.784 7.846 -43.604 125 H2* U 287 H2* U 287 74.506 8.608 -42.158 126 2HO* U 287 2HO* U 287 74.678 10.592 -43.392 127 H1* U 287 H1* U 287 72.666 10.095 -40.582 128 H3 U 287 H3 U 287 74.385 6.856 -37.849 129 H5 U 287 H5 U 287 71.434 4.915 -40.100 130 H6 U 287 H6 U 287 71.271 6.950 -41.458 131 1H5* U 288 1H5* U 288 76.122 10.094 -44.671 132 2H5* U 288 2H5* U 288 77.128 9.293 -45.877 133 H4* U 288 H4* U 288 78.441 9.641 -43.917 134 H3* U 288 H3* U 288 77.665 6.768 -44.384 135 H2* U 288 H2* U 288 79.001 6.117 -42.552 136 2HO* U 288 2HO* U 288 79.862 8.858 -42.748 137 H1* U 288 H1* U 288 78.119 8.369 -40.992 138 H3 U 288 H3 U 288 76.974 4.704 -38.527 139 H5 U 288 H5 U 288 74.114 4.858 -41.583 140 H6 U 288 H6 U 288 75.452 6.640 -42.609 141 1H5* G 289 1H5* G 289 81.544 6.544 -44.349 142 2H5* G 289 2H5* G 289 82.372 5.510 -45.512 143 H4* G 289 H4* G 289 82.751 4.521 -43.422 144 H3* G 289 H3* G 289 80.527 3.071 -44.868 145 H2* G 289 H2* G 289 80.573 1.432 -43.172 146 2HO* G 289 2HO* G 289 82.514 2.005 -41.567 147 H1* G 289 H1* G 289 80.924 3.431 -41.130 148 H8 G 289 H8 G 289 78.141 3.808 -43.669 149 H1 G 289 H1 G 289 76.434 0.714 -38.247 150 1H2 G 289 1H2 G 289 78.109 0.367 -37.096 151 2H2 G 289 2H2 G 289 79.734 0.843 -37.534 152 1H5* A 290 1H5* A 290 80.284 -0.356 -46.700 153 2H5* A 290 2H5* A 290 80.166 0.297 -45.066 154 H4* A 290 H4* A 290 80.140 -2.327 -45.629 155 H3* A 290 H3* A 290 80.975 -0.838 -43.176 156 H2* A 290 H2* A 290 81.777 -2.815 -42.146 157 2HO* A 290 2HO* A 290 81.384 -4.762 -43.809 158 H1* A 290 H1* A 290 83.286 -3.661 -44.280 159 H8 A 290 H8 A 290 82.887 0.105 -43.819 160 1H6 A 290 1H6 A 290 88.375 -0.143 -40.857 161 2H6 A 290 2H6 A 290 87.132 0.936 -41.450 162 H2 A 290 H2 A 290 87.140 -4.295 -41.845 163 1H5* G 291 1H5* G 291 80.007 -4.426 -41.226 164 2H5* G 291 2H5* G 291 78.956 -3.852 -39.932 165 H4* G 291 H4* G 291 81.041 -4.938 -39.139 166 H3* G 291 H3* G 291 80.321 -2.148 -38.347 167 H2* G 291 H2* G 291 82.297 -1.923 -37.051 168 2HO* G 291 2HO* G 291 83.528 -4.268 -37.519 169 H1* G 291 H1* G 291 83.980 -2.844 -39.071 170 H8 G 291 H8 G 291 80.938 -0.689 -39.917 171 H1 G 291 H1 G 291 86.542 2.511 -39.433 172 1H2 G 291 1H2 G 291 88.023 1.217 -38.813 173 2H2 G 291 2H2 G 291 87.782 -0.482 -38.474 174 1H5* A 292 1H5* A 292 77.577 -4.337 -33.645 175 2H5* A 292 2H5* A 292 77.705 -2.756 -34.417 176 H4* A 292 H4* A 292 79.753 -4.369 -33.017 177 H3* A 292 H3* A 292 79.092 -1.441 -33.292 178 H2* A 292 H2* A 292 81.276 -0.914 -32.517 179 2HO* A 292 2HO* A 292 82.128 -3.551 -32.288 180 H1* A 292 H1* A 292 82.468 -2.822 -34.245 181 H8 A 292 H8 A 292 79.696 -0.539 -35.511 182 1H6 A 292 1H6 A 292 84.288 3.075 -37.702 183 2H6 A 292 2H6 A 292 82.552 2.859 -37.658 184 H2 A 292 H2 A 292 86.116 -0.219 -35.345 185 1H5* A 293 1H5* A 293 81.637 -0.400 -30.236 186 2H5* A 293 2H5* A 293 80.596 0.801 -29.473 187 H4* A 293 H4* A 293 82.603 1.650 -30.786 188 H3* A 293 H3* A 293 79.807 2.692 -31.130 189 H2* A 293 H2* A 293 80.583 4.306 -32.686 190 2HO* A 293 2HO* A 293 83.143 3.253 -31.886 191 H1* A 293 H1* A 293 82.061 2.488 -34.181 192 H8 A 293 H8 A 293 79.097 0.595 -33.116 193 1H6 A 293 1H6 A 293 75.936 3.322 -37.756 194 2H6 A 293 2H6 A 293 75.879 2.046 -36.560 195 H2 A 293 H2 A 293 79.827 5.419 -37.304 196 1H5* A 294 1H5* A 294 82.716 6.276 -31.089 197 2H5* A 294 2H5* A 294 81.876 7.269 -29.899 198 H4* A 294 H4* A 294 82.367 8.559 -31.885 199 H3* A 294 H3* A 294 79.483 8.024 -31.262 200 H2* A 294 H2* A 294 78.803 9.327 -33.130 201 2HO* A 294 2HO* A 294 80.245 10.961 -33.263 202 H1* A 294 H1* A 294 80.616 8.049 -34.867 203 H8 A 294 H8 A 294 79.048 5.575 -32.565 204 1H6 A 294 1H6 A 294 74.346 5.198 -36.651 205 2H6 A 294 2H6 A 294 75.034 4.479 -35.212 206 H2 A 294 H2 A 294 76.955 8.591 -37.843 207 1H5* C 295 1H5* C 295 80.100 12.020 -31.597 208 2H5* C 295 2H5* C 295 79.180 13.188 -30.648 209 H4* C 295 H4* C 295 78.605 13.569 -32.900 210 H3* C 295 H3* C 295 76.447 12.069 -31.427 211 H2* C 295 H2* C 295 75.052 12.259 -33.336 212 2HO* C 295 2HO* C 295 75.888 14.446 -33.670 213 H1* C 295 H1* C 295 77.159 11.520 -35.095 214 1H4 C 295 1H4 C 295 73.659 6.220 -34.425 215 2H4 C 295 2H4 C 295 74.448 5.907 -32.896 216 H5 C 295 H5 C 295 75.973 7.393 -31.873 217 H6 C 295 H6 C 295 77.127 9.568 -32.068 218 1H5* U 296 1H5* U 296 74.595 16.039 -32.528 219 2H5* U 296 2H5* U 296 73.448 16.435 -31.248 220 H4* U 296 H4* U 296 72.367 16.388 -33.427 221 H3* U 296 H3* U 296 71.514 14.305 -31.426 222 H2* U 296 H2* U 296 69.787 13.629 -32.907 223 2HO* U 296 2HO* U 296 70.269 15.296 -34.996 224 H1* U 296 H1* U 296 71.502 13.582 -35.142 225 H3 U 296 H3 U 296 70.304 9.248 -34.264 226 H5 U 296 H5 U 296 73.476 10.054 -31.650 227 H6 U 296 H6 U 296 73.313 12.404 -32.334 228 1H5* A 297 1H5* A 297 68.419 16.404 -32.692 229 2H5* A 297 2H5* A 297 67.098 16.900 -31.634 230 H4* A 297 H4* A 297 66.112 15.598 -33.322 231 H3* A 297 H3* A 297 66.401 14.075 -30.745 232 H2* A 297 H2* A 297 65.233 12.240 -31.709 233 2HO* A 297 2HO* A 297 64.952 14.093 -33.896 234 H1* A 297 H1* A 297 66.798 12.320 -34.061 235 H8 A 297 H8 A 297 69.091 12.813 -31.228 236 1H6 A 297 1H6 A 297 69.118 6.622 -30.438 237 2H6 A 297 2H6 A 297 69.898 8.115 -29.965 238 H2 A 297 H2 A 297 65.876 7.645 -33.300 239 1H5* G 298 1H5* G 298 62.193 13.266 -32.403 240 2H5* G 298 2H5* G 298 61.265 13.572 -30.934 241 H4* G 298 H4* G 298 60.686 11.423 -31.919 242 H3* G 298 H3* G 298 61.955 11.454 -29.204 243 H2* G 298 H2* G 298 61.762 9.087 -29.050 244 2HO* G 298 2HO* G 298 60.444 8.041 -30.611 245 H1* G 298 H1* G 298 62.845 8.719 -31.641 246 H8 G 298 H8 G 298 64.897 11.281 -29.997 247 H1 G 298 H1 G 298 66.261 5.319 -27.881 248 1H2 G 298 1H2 G 298 64.802 4.010 -28.521 249 2H2 G 298 2H2 G 298 63.416 4.461 -29.488 250 1H5* C 299 1H5* C 299 59.229 9.160 -28.952 251 2H5* C 299 2H5* C 299 57.900 9.157 -27.792 252 H4* C 299 H4* C 299 59.011 7.091 -27.547 253 H3* C 299 H3* C 299 59.600 9.020 -25.323 254 H2* C 299 H2* C 299 60.947 7.417 -24.239 255 2HO* C 299 2HO* C 299 60.321 5.351 -24.555 256 H1* C 299 H1* C 299 62.127 6.588 -26.730 257 1H4 C 299 1H4 C 299 66.632 9.891 -23.598 258 2H4 C 299 2H4 C 299 65.994 11.355 -24.311 259 H5 C 299 H5 C 299 64.021 11.437 -25.605 260 H6 C 299 H6 C 299 62.154 10.120 -26.544 261 1H5* U 300 1H5* U 300 58.278 5.188 -24.537 262 2H5* U 300 2H5* U 300 57.035 4.879 -23.326 263 H4* U 300 H4* U 300 58.603 3.225 -22.917 264 H3* U 300 H3* U 300 59.028 5.516 -21.018 265 H2* U 300 H2* U 300 60.778 4.326 -19.957 266 2HO* U 300 2HO* U 300 59.582 2.335 -20.127 267 H1* U 300 H1* U 300 62.047 3.592 -22.316 268 H3 U 300 H3 U 300 64.858 6.836 -20.970 269 H5 U 300 H5 U 300 61.387 8.951 -21.981 270 H6 U 300 H6 U 300 60.294 6.787 -22.346 271 1H5* C 301 1H5* C 301 57.785 2.141 -18.568 272 2H5* C 301 2H5* C 301 57.323 2.574 -16.923 273 H4* C 301 H4* C 301 59.503 1.450 -17.031 274 H3* C 301 H3* C 301 59.336 4.250 -15.963 275 H2* C 301 H2* C 301 61.653 4.253 -15.497 276 2HO* C 301 2HO* C 301 61.404 1.476 -16.225 277 H1* C 301 H1* C 301 62.265 3.009 -18.005 278 1H4 C 301 1H4 C 301 63.955 9.141 -18.660 279 2H4 C 301 2H4 C 301 62.293 9.531 -19.045 280 H5 C 301 H5 C 301 60.517 7.980 -18.928 281 H6 C 301 H6 C 301 59.891 5.649 -18.406 282 1H5* U 302 1H5* U 302 61.352 2.590 -13.582 283 2H5* U 302 2H5* U 302 61.032 2.344 -11.865 284 H4* U 302 H4* U 302 62.940 3.501 -11.614 285 H3* U 302 H3* U 302 60.894 5.672 -12.014 286 H2* U 302 H2* U 302 62.598 7.304 -11.805 287 2HO* U 302 2HO* U 302 64.703 6.510 -11.073 288 H1* U 302 H1* U 302 64.363 5.882 -13.511 289 H3 U 302 H3 U 302 63.644 9.344 -16.265 290 H5 U 302 H5 U 302 59.807 7.734 -15.797 291 H6 U 302 H6 U 302 60.771 6.159 -14.184 292 1H5* G 303 1H5* G 303 62.889 6.429 -8.625 293 2H5* G 303 2H5* G 303 62.136 7.251 -7.258 294 H4* G 303 H4* G 303 63.740 8.751 -8.060 295 H3* G 303 H3* G 303 61.011 9.530 -9.102 296 H2* G 303 H2* G 303 61.963 11.505 -9.950 297 2HO* G 303 2HO* G 303 63.135 11.780 -7.940 298 H1* G 303 H1* G 303 64.386 10.100 -10.700 299 H8 G 303 H8 G 303 61.183 8.671 -12.010 300 H1 G 303 H1 G 303 63.683 13.320 -15.756 301 1H2 G 303 1H2 G 303 65.239 14.240 -14.764 302 2H2 G 303 2H2 G 303 65.786 13.816 -13.157 303 1H5* U 304 1H5* U 304 62.497 12.040 -6.087 304 2H5* U 304 2H5* U 304 61.536 13.153 -5.113 305 H4* U 304 H4* U 304 62.974 14.440 -6.510 306 H3* U 304 H3* U 304 60.074 14.516 -7.285 307 H2* U 304 H2* U 304 60.546 16.039 -9.025 308 2HO* U 304 2HO* U 304 63.275 16.220 -8.565 309 H1* U 304 H1* U 304 62.922 14.573 -9.753 310 H3 U 304 H3 U 304 60.521 14.530 -13.601 311 H5 U 304 H5 U 304 58.414 11.948 -11.066 312 H6 U 304 H6 U 304 59.921 12.648 -9.263 313 1H5* A 305 1H5* A 305 57.563 17.454 -4.938 314 2H5* A 305 2H5* A 305 58.229 16.281 -6.075 315 H4* A 305 H4* A 305 59.503 18.980 -5.657 316 H3* A 305 H3* A 305 57.084 18.337 -7.315 317 H2* A 305 H2* A 305 57.852 19.782 -9.034 318 2HO* A 305 2HO* A 305 58.638 21.284 -7.407 319 H1* A 305 H1* A 305 60.425 18.736 -9.076 320 H8 A 305 H8 A 305 57.925 16.040 -8.347 321 1H6 A 305 1H6 A 305 57.358 15.364 -14.526 322 2H6 A 305 2H6 A 305 56.922 14.674 -12.977 323 H2 A 305 H2 A 305 59.809 18.986 -13.743 324 1H5* U 306 1H5* U 306 53.593 17.852 -5.072 325 2H5* U 306 2H5* U 306 53.297 19.486 -5.666 326 H4* U 306 H4* U 306 52.857 18.743 -3.138 327 H3* U 306 H3* U 306 53.674 21.427 -4.229 328 H2* U 306 H2* U 306 53.920 22.267 -2.097 329 2HO* U 306 2HO* U 306 51.955 21.897 -1.223 330 H1* U 306 H1* U 306 54.322 19.495 -1.057 331 H3 U 306 H3 U 306 57.922 20.610 1.325 332 H5 U 306 H5 U 306 58.104 23.329 -1.855 333 H6 U 306 H6 U 306 56.082 22.267 -2.749 334 1H5* C 307 1H5* C 307 49.899 21.001 -1.082 335 2H5* C 307 2H5* C 307 48.903 21.414 -2.476 336 H4* C 307 H4* C 307 48.507 22.222 0.140 337 H3* C 307 H3* C 307 47.333 23.010 -2.492 338 H2* C 307 H2* C 307 46.202 24.861 -1.510 339 2HO* C 307 2HO* C 307 47.375 23.859 0.924 340 H1* C 307 H1* C 307 48.498 25.819 -0.245 341 1H4 C 307 1H4 C 307 48.100 28.825 -5.902 342 2H4 C 307 2H4 C 307 49.244 27.659 -6.529 343 H5 C 307 H5 C 307 49.991 25.770 -5.325 344 H6 C 307 H6 C 307 49.825 24.522 -3.201 345 1H5* U 308 1H5* U 308 42.989 20.319 -1.690 346 2H5* U 308 2H5* U 308 42.025 20.911 -0.337 347 H4* U 308 H4* U 308 42.528 18.457 -0.311 348 H3* U 308 H3* U 308 43.303 20.202 2.030 349 H2* U 308 H2* U 308 44.126 18.353 3.119 350 2HO* U 308 2HO* U 308 41.926 17.502 2.858 351 H1* U 308 H1* U 308 44.336 16.919 0.495 352 H3 U 308 H3 U 308 48.458 15.392 1.256 353 H5 U 308 H5 U 308 48.346 18.838 3.632 354 H6 U 308 H6 U 308 46.076 19.226 2.789 355 1H5* G 309 1H5* G 309 40.326 19.374 5.337 356 2H5* G 309 2H5* G 309 39.292 20.616 4.632 357 H4* G 309 H4* G 309 39.971 21.098 6.959 358 H3* G 309 H3* G 309 40.667 23.009 4.752 359 H2* G 309 H2* G 309 41.635 24.506 6.311 360 2HO* G 309 2HO* G 309 40.449 24.429 8.131 361 H1* G 309 H1* G 309 42.968 22.358 7.666 362 H8 G 309 H8 G 309 43.002 22.969 3.887 363 H1 G 309 H1 G 309 48.284 24.940 7.064 364 1H2 G 309 1H2 G 309 48.015 24.659 9.089 365 2H2 G 309 2H2 G 309 46.572 23.990 9.818 366 1H5* G 310 1H5* G 310 41.617 24.912 4.339 367 2H5* G 310 2H5* G 310 40.692 26.008 5.366 368 H4* G 310 H4* G 310 41.892 26.705 3.033 369 H3* G 310 H3* G 310 39.525 27.935 4.451 370 H2* G 310 H2* G 310 39.472 29.613 2.786 371 2HO* G 310 2HO* G 310 41.355 29.747 1.381 372 H1* G 310 H1* G 310 39.941 27.704 0.703 373 H8 G 310 H8 G 310 37.258 26.362 2.785 374 H1 G 310 H1 G 310 35.170 31.126 -1.065 375 1H2 G 310 1H2 G 310 36.788 32.120 -1.870 376 2H2 G 310 2H2 G 310 38.461 31.722 -1.550 377 1H5* C 311 1H5* C 311 42.465 30.738 4.134 378 2H5* C 311 2H5* C 311 42.910 31.734 5.520 379 H4* C 311 H4* C 311 42.394 33.285 3.875 380 H3* C 311 H3* C 311 39.995 32.905 5.662 381 H2* C 311 H2* C 311 38.914 34.683 4.513 382 2HO* C 311 2HO* C 311 40.212 36.100 3.379 383 H1* C 311 H1* C 311 39.666 33.650 1.979 384 1H4 C 311 1H4 C 311 33.577 31.888 2.862 385 2H4 C 311 2H4 C 311 34.147 30.454 3.686 386 H5 C 311 H5 C 311 36.416 30.051 4.208 387 H6 C 311 H6 C 311 38.717 30.934 4.066 388 1H5* G 312 1H5* G 312 40.875 37.750 6.345 389 2H5* G 312 2H5* G 312 39.532 37.869 7.481 390 H4* G 312 H4* G 312 39.584 38.982 5.002 391 H3* G 312 H3* G 312 37.338 38.257 6.844 392 H2* G 312 H2* G 312 35.730 38.855 5.195 393 2HO* G 312 2HO* G 312 37.304 39.463 3.101 394 H1* G 312 H1* G 312 36.860 37.322 3.203 395 H8 G 312 H8 G 312 37.656 35.162 5.957 396 H1 G 312 H1 G 312 31.270 35.277 4.920 397 1H2 G 312 1H2 G 312 30.798 36.866 3.694 398 2H2 G 312 2H2 G 312 31.962 38.000 3.045 399 1H5* G 313 1H5* G 313 35.559 41.127 4.358 400 2H5* G 313 2H5* G 313 35.554 42.519 5.439 401 H4* G 313 H4* G 313 33.401 42.490 4.579 402 H3* G 313 H3* G 313 33.457 41.216 7.295 403 H2* G 313 H2* G 313 31.114 40.861 7.209 404 2HO* G 313 2HO* G 313 31.385 42.399 4.788 405 H1* G 313 H1* G 313 31.123 39.733 4.683 406 H8 G 313 H8 G 313 34.267 38.862 6.547 407 H1 G 313 H1 G 313 29.279 34.940 7.824 408 1H2 G 313 1H2 G 313 27.562 35.715 6.986 409 2H2 G 313 2H2 G 313 27.485 37.205 6.074 410 1H5* A 314 1H5* A 314 30.140 43.955 6.565 411 2H5* A 314 2H5* A 314 29.686 44.794 8.048 412 H4* A 314 H4* A 314 27.776 43.680 7.026 413 H3* A 314 H3* A 314 28.680 42.741 9.732 414 H2* A 314 H2* A 314 26.820 41.257 9.841 415 2HO* A 314 2HO* A 314 25.945 41.924 7.255 416 H1* A 314 H1* A 314 27.305 40.153 7.339 417 H8 A 314 H8 A 314 30.519 41.034 9.068 418 1H6 A 314 1H6 A 314 30.282 35.353 11.642 419 2H6 A 314 2H6 A 314 31.283 36.772 11.429 420 H2 A 314 H2 A 314 26.438 36.087 9.539 421 1H5* C 315 1H5* C 315 24.852 41.710 9.917 422 2H5* C 315 2H5* C 315 24.144 42.871 11.040 423 H4* C 315 H4* C 315 23.649 40.500 11.580 424 H3* C 315 H3* C 315 24.202 42.484 13.405 425 H2* C 315 H2* C 315 26.399 41.820 13.920 426 2HO* C 315 2HO* C 315 24.827 41.607 15.685 427 H1* C 315 H1* C 315 25.689 38.882 13.797 428 1H4 C 315 1H4 C 315 31.900 38.222 12.639 429 2H4 C 315 2H4 C 315 31.996 39.844 11.992 430 H5 C 315 H5 C 315 30.144 41.300 11.815 431 H6 C 315 H6 C 315 27.722 41.559 12.217 432 1H5* C 316 1H5* C 316 20.005 39.028 14.038 433 2H5* C 316 2H5* C 316 21.578 38.242 13.909 434 H4* C 316 H4* C 316 19.191 38.034 12.111 435 H3* C 316 H3* C 316 20.904 36.133 13.655 436 H2* C 316 H2* C 316 20.656 34.443 12.016 437 2HO* C 316 2HO* C 316 19.073 34.940 10.282 438 H1* C 316 H1* C 316 21.282 36.023 9.861 439 1H4 C 316 1H4 C 316 26.935 33.892 11.960 440 2H4 C 316 2H4 C 316 27.046 35.293 13.001 441 H5 C 316 H5 C 316 25.308 36.868 13.278 442 H6 C 316 H6 C 316 23.012 37.491 12.617 443 1H5* C 317 1H5* C 317 17.307 34.080 13.077 444 2H5* C 317 2H5* C 317 16.611 33.391 14.543 445 H4* C 317 H4* C 317 16.828 31.581 13.088 446 H3* C 317 H3* C 317 19.058 31.629 15.100 447 H2* C 317 H2* C 317 19.918 29.600 14.216 448 2HO* C 317 2HO* C 317 18.027 29.366 12.189 449 H1* C 317 H1* C 317 19.824 30.455 11.572 450 1H4 C 317 1H4 C 317 25.700 32.006 13.548 451 2H4 C 317 2H4 C 317 25.069 33.508 14.186 452 H5 C 317 H5 C 317 22.772 34.058 14.228 453 H6 C 317 H6 C 317 20.493 33.296 13.662 454 1H5* G 318 1H5* G 318 17.680 27.982 15.188 455 2H5* G 318 2H5* G 318 16.914 27.424 16.675 456 H4* G 318 H4* G 318 18.354 25.696 16.186 457 H3* G 318 H3* G 318 19.718 27.552 18.123 458 H2* G 318 H2* G 318 21.576 26.077 18.213 459 2HO* G 318 2HO* G 318 19.853 24.437 16.587 460 H1* G 318 H1* G 318 21.743 25.809 15.433 461 H8 G 318 H8 G 318 20.826 29.274 16.623 462 H1 G 318 H1 G 318 27.193 28.199 16.184 463 1H2 G 318 1H2 G 318 27.529 26.202 15.797 464 2H2 G 318 2H2 G 318 26.273 24.998 15.616 465 1H5* U 319 1H5* U 319 19.934 24.811 20.032 466 2H5* U 319 2H5* U 319 19.833 24.527 21.769 467 H4* U 319 H4* U 319 21.664 26.203 20.243 468 H3* U 319 H3* U 319 21.647 24.846 22.920 469 H2* U 319 H2* U 319 23.475 26.211 23.627 470 2HO* U 319 2HO* U 319 24.507 27.487 22.016 471 H1* U 319 H1* U 319 22.173 28.567 22.798 472 H3 U 319 H3 U 319 21.622 29.338 27.167 473 H5 U 319 H5 U 319 19.736 25.631 26.666 474 H6 U 319 H6 U 319 20.454 25.694 24.323 475 1H5* G 320 1H5* G 320 23.679 24.526 19.372 476 2H5* G 320 2H5* G 320 22.924 23.853 17.927 477 H4* G 320 H4* G 320 24.474 21.810 18.358 478 H3* G 320 H3* G 320 25.528 23.696 20.362 479 H2* G 320 H2* G 320 27.782 23.548 19.637 480 2HO* G 320 2HO* G 320 27.411 21.255 19.161 481 H1* G 320 H1* G 320 27.287 24.103 17.011 482 H8 G 320 H8 G 320 24.558 25.988 18.479 483 H1 G 320 H1 G 320 30.269 28.798 19.652 484 1H2 G 320 1H2 G 320 31.789 27.476 19.216 485 2H2 G 320 2H2 G 320 31.553 25.849 18.621 486 1H5* G 321 1H5* G 321 28.539 20.274 20.488 487 2H5* G 321 2H5* G 321 28.701 20.045 22.229 488 H4* G 321 H4* G 321 30.855 20.431 21.098 489 H3* G 321 H3* G 321 29.922 22.307 23.241 490 H2* G 321 H2* G 321 31.937 23.558 23.072 491 2HO* G 321 2HO* G 321 33.650 22.624 21.850 492 H1* G 321 H1* G 321 31.765 23.648 20.240 493 H8 G 321 H8 G 321 28.392 24.407 21.316 494 H1 G 321 H1 G 321 32.393 29.364 22.461 495 1H2 G 321 1H2 G 321 34.345 28.730 22.278 496 2H2 G 321 2H2 G 321 34.828 27.097 21.874 497 1H5* U 322 1H5* U 322 33.195 20.222 25.754 498 2H5* U 322 2H5* U 322 32.745 20.717 27.385 499 H4* U 322 H4* U 322 34.795 21.808 26.326 500 H3* U 322 H3* U 322 32.586 23.320 27.694 501 H2* U 322 H2* U 322 33.781 25.349 27.389 502 2HO* U 322 2HO* U 322 35.882 24.806 27.663 503 H1* U 322 H1* U 322 34.358 24.719 24.674 504 H3 U 322 H3 U 322 31.746 28.454 24.519 505 H5 U 322 H5 U 322 29.064 25.317 25.229 506 H6 U 322 H6 U 322 31.010 23.857 25.543 507 1H5* G 323 1H5* G 323 35.541 23.961 31.289 508 2H5* G 323 2H5* G 323 34.406 23.443 32.534 509 H4* G 323 H4* G 323 35.039 25.693 32.996 510 H3* G 323 H3* G 323 32.227 25.331 32.027 511 H2* G 323 H2* G 323 31.809 27.664 32.275 512 2HO* G 323 2HO* G 323 33.808 28.868 33.120 513 H1* G 323 H1* G 323 34.159 28.351 30.873 514 H8 G 323 H8 G 323 32.702 25.545 29.024 515 H1 G 323 H1 G 323 29.502 31.073 27.980 516 1H2 G 323 1H2 G 323 30.095 32.484 29.361 517 2H2 G 323 2H2 G 323 31.283 32.210 30.616 518 1H5* G 324 1H5* G 324 28.936 25.693 32.834 519 2H5* G 324 2H5* G 324 30.509 26.166 32.194 520 H4* G 324 H4* G 324 29.859 28.279 32.069 521 H3* G 324 H3* G 324 29.579 27.986 35.016 522 H2* G 324 H2* G 324 28.156 29.850 35.216 523 2HO* G 324 2HO* G 324 28.774 30.235 32.428 524 H1* G 324 H1* G 324 26.441 29.225 33.187 525 H8 G 324 H8 G 324 27.240 25.837 34.076 526 H1 G 324 H1 G 324 23.822 28.689 38.774 527 1H2 G 324 1H2 G 324 23.805 30.729 38.472 528 2H2 G 324 2H2 G 324 24.599 31.545 37.144 529 1H5* A 325 1H5* A 325 30.643 31.886 34.771 530 2H5* A 325 2H5* A 325 32.065 32.294 35.730 531 H4* A 325 H4* A 325 30.385 33.708 36.522 532 H3* A 325 H3* A 325 30.841 31.382 38.355 533 H2* A 325 H2* A 325 29.172 32.159 39.843 534 2HO* A 325 2HO* A 325 28.943 34.324 39.862 535 H1* A 325 H1* A 325 27.257 32.602 37.901 536 H8 A 325 H8 A 325 29.237 29.671 36.774 537 1H6 A 325 1H6 A 325 25.612 26.154 40.439 538 2H6 A 325 2H6 A 325 26.832 26.105 39.185 539 H2 A 325 H2 A 325 24.789 30.422 41.356 540 1H5* A 326 1H5* A 326 32.885 34.232 41.500 541 2H5* A 326 2H5* A 326 33.291 32.895 42.574 542 H4* A 326 H4* A 326 31.262 34.505 43.065 543 H3* A 326 H3* A 326 31.565 31.591 43.640 544 H2* A 326 H2* A 326 29.335 31.445 44.468 545 2HO* A 326 2HO* A 326 29.564 33.640 45.332 546 H1* A 326 H1* A 326 28.213 32.623 42.224 547 H8 A 326 H8 A 326 30.782 30.824 40.521 548 1H6 A 326 1H6 A 326 27.744 25.474 41.573 549 2H6 A 326 2H6 A 326 29.025 26.217 40.642 550 H2 A 326 H2 A 326 25.987 28.608 44.188 551 1H5* C 327 1H5* C 327 29.903 32.966 47.360 552 2H5* C 327 2H5* C 327 30.798 32.162 48.649 553 H4* C 327 H4* C 327 28.402 31.657 48.722 554 H3* C 327 H3* C 327 30.346 29.414 48.274 555 H2* C 327 H2* C 327 28.562 27.840 48.351 556 2HO* C 327 2HO* C 327 27.112 28.603 49.786 557 H1* C 327 H1* C 327 27.001 29.229 46.516 558 1H4 C 327 1H4 C 327 30.500 25.047 43.138 559 2H4 C 327 2H4 C 327 31.622 26.347 42.804 560 H5 C 327 H5 C 327 31.486 28.488 43.790 561 H6 C 327 H6 C 327 30.228 29.923 45.357 562 1H5* U 328 1H5* U 328 27.957 28.245 51.551 563 2H5* U 328 2H5* U 328 28.948 27.681 52.896 564 H4* U 328 H4* U 328 27.230 26.058 52.311 565 H3* U 328 H3* U 328 30.103 25.266 51.939 566 H2* U 328 H2* U 328 29.437 23.083 51.299 567 2HO* U 328 2HO* U 328 27.046 24.134 52.412 568 H1* U 328 H1* U 328 27.475 23.980 49.517 569 H3 U 328 H3 U 328 31.254 22.114 47.473 570 H5 U 328 H5 U 328 31.686 26.278 47.381 571 H6 U 328 H6 U 328 29.787 26.410 48.927 572 1H5* G 329 1H5* G 329 28.975 22.394 54.476 573 2H5* G 329 2H5* G 329 30.162 21.946 55.701 574 H4* G 329 H4* G 329 29.892 20.135 54.148 575 H3* G 329 H3* G 329 32.533 21.563 54.055 576 H2* G 329 H2* G 329 33.314 20.092 52.394 577 2HO* G 329 2HO* G 329 32.267 18.079 52.200 578 H1* G 329 H1* G 329 30.702 20.092 51.111 579 H8 G 329 H8 G 329 32.117 23.490 51.511 580 H1 G 329 H1 G 329 34.406 20.406 46.302 581 1H2 G 329 1H2 G 329 33.866 18.419 46.386 582 2H2 G 329 2H2 G 329 32.932 17.695 47.676 583 1H5* U 330 1H5* U 330 35.645 21.619 55.803 584 2H5* U 330 2H5* U 330 34.961 21.209 54.231 585 H4* U 330 H4* U 330 37.524 20.853 54.799 586 H3* U 330 H3* U 330 35.718 19.318 52.986 587 H2* U 330 H2* U 330 37.381 17.687 52.550 588 2HO* U 330 2HO* U 330 38.970 19.533 54.087 589 H1* U 330 H1* U 330 38.029 17.325 55.247 590 H3 U 330 H3 U 330 35.720 13.511 55.075 591 H5 U 330 H5 U 330 32.928 16.294 53.658 592 H6 U 330 H6 U 330 34.669 18.007 53.886 593 1H5* G 331 1H5* G 331 39.208 18.793 50.025 594 2H5* G 331 2H5* G 331 38.217 19.408 48.702 595 H4* G 331 H4* G 331 39.066 16.981 48.597 596 H3* G 331 H3* G 331 36.322 17.944 47.918 597 H2* G 331 H2* G 331 35.539 15.756 47.523 598 2HO* G 331 2HO* G 331 37.601 15.278 46.470 599 H1* G 331 H1* G 331 36.700 14.647 49.814 600 H8 G 331 H8 G 331 35.196 18.134 50.061 601 H1 G 331 H1 G 331 31.188 13.313 51.665 602 1H2 G 331 1H2 G 331 32.094 11.504 51.269 603 2H2 G 331 2H2 G 331 33.700 11.319 50.602 604 1H5* A 332 1H5* A 332 34.542 17.649 44.348 605 2H5* A 332 2H5* A 332 35.271 17.192 45.887 606 H4* A 332 H4* A 332 36.461 15.904 43.511 607 H3* A 332 H3* A 332 33.558 15.756 43.902 608 H2* A 332 H2* A 332 33.440 13.402 44.123 609 2HO* A 332 2HO* A 332 35.905 13.806 42.929 610 H1* A 332 H1* A 332 35.317 13.161 46.071 611 H8 A 332 H8 A 332 33.657 16.565 46.136 612 1H6 A 332 1H6 A 332 29.592 14.048 50.147 613 2H6 A 332 2H6 A 332 30.097 15.543 49.391 614 H2 A 332 H2 A 332 32.218 10.810 48.613 615 1H5* A 333 1H5* A 333 31.079 12.837 41.836 616 2H5* A 333 2H5* A 333 30.809 14.232 40.792 617 H4* A 333 H4* A 333 29.103 13.489 42.705 618 H3* A 333 H3* A 333 29.703 16.217 41.607 619 H2* A 333 H2* A 333 28.161 17.197 43.119 620 2HO* A 333 2HO* A 333 27.490 14.770 44.340 621 H1* A 333 H1* A 333 29.134 15.892 45.354 622 H8 A 333 H8 A 333 31.969 16.575 43.015 623 1H6 A 333 1H6 A 333 32.416 22.188 45.709 624 2H6 A 333 2H6 A 333 33.193 21.083 44.596 625 H2 A 333 H2 A 333 28.701 20.238 47.169 626 1H5* G 334 1H5* G 334 25.044 15.559 42.392 627 2H5* G 334 2H5* G 334 24.410 17.070 41.743 628 H4* G 334 H4* G 334 24.511 16.471 44.369 629 H3* G 334 H3* G 334 24.478 19.105 42.939 630 H2* G 334 H2* G 334 24.673 20.264 45.010 631 2HO* G 334 2HO* G 334 24.244 19.099 46.891 632 H1* G 334 H1* G 334 26.849 18.797 45.877 633 H8 G 334 H8 G 334 27.673 18.844 42.388 634 H1 G 334 H1 G 334 28.186 24.776 44.924 635 1H2 G 334 1H2 G 334 27.246 24.823 46.758 636 2H2 G 334 2H2 G 334 26.439 23.460 47.500 637 1H5* U 335 1H5* U 335 21.753 19.697 46.319 638 2H5* U 335 2H5* U 335 20.440 20.687 45.683 639 H4* U 335 H4* U 335 21.695 21.670 47.617 640 H3* U 335 H3* U 335 21.354 23.145 45.022 641 H2* U 335 H2* U 335 22.436 25.045 45.947 642 2HO* U 335 2HO* U 335 21.580 24.962 48.007 643 H1* U 335 H1* U 335 24.574 23.578 46.980 644 H3 U 335 H3 U 335 25.788 26.161 43.304 645 H5 U 335 H5 U 335 24.901 22.330 41.863 646 H6 U 335 H6 U 335 23.983 21.817 44.077 647 1H5* U 336 1H5* U 336 19.182 25.740 47.901 648 2H5* U 336 2H5* U 336 17.944 26.621 47.008 649 H4* U 336 H4* U 336 19.623 28.120 47.953 650 H3* U 336 H3* U 336 19.314 27.980 44.977 651 H2* U 336 H2* U 336 20.982 29.637 44.676 652 2HO* U 336 2HO* U 336 20.069 30.613 46.718 653 H1* U 336 H1* U 336 22.767 28.406 46.478 654 H3 U 336 H3 U 336 24.616 28.053 42.304 655 H5 U 336 H5 U 336 21.890 24.884 42.559 656 H6 U 336 H6 U 336 21.091 25.870 44.657 657 1H5* C 337 1H5* C 337 19.947 32.056 45.379 658 2H5* C 337 2H5* C 337 18.322 32.708 45.171 659 H4* C 337 H4* C 337 19.469 34.088 43.776 660 H3* C 337 H3* C 337 18.535 31.765 42.140 661 H2* C 337 H2* C 337 19.631 32.602 40.208 662 2HO* C 337 2HO* C 337 20.226 34.823 41.946 663 H1* C 337 H1* C 337 22.052 33.048 41.515 664 1H4 C 337 1H4 C 337 22.850 27.153 39.250 665 2H4 C 337 2H4 C 337 21.652 26.538 40.367 666 H5 C 337 H5 C 337 20.404 27.899 41.840 667 H6 C 337 H6 C 337 19.992 30.209 42.609 668 1H5* G 338 1H5* G 338 18.324 34.974 39.256 669 2H5* G 338 2H5* G 338 16.779 34.670 38.461 670 H4* G 338 H4* G 338 18.672 34.576 36.906 671 H3* G 338 H3* G 338 17.005 32.112 37.323 672 H2* G 338 H2* G 338 18.267 30.943 35.715 673 2HO* G 338 2HO* G 338 19.195 32.160 34.123 674 H1* G 338 H1* G 338 20.714 32.176 36.680 675 H8 G 338 H8 G 338 18.820 30.447 39.353 676 H1 G 338 H1 G 338 22.500 26.424 35.868 677 1H2 G 338 1H2 G 338 23.196 27.405 34.192 678 2H2 G 338 2H2 G 338 22.837 29.069 33.792 679 1H5* G 339 1H5* G 339 17.505 31.329 33.500 680 2H5* G 339 2H5* G 339 15.905 30.857 32.927 681 H4* G 339 H4* G 339 17.834 29.098 33.162 682 H3* G 339 H3* G 339 14.912 28.752 33.689 683 H2* G 339 H2* G 339 15.312 26.955 35.024 684 2HO* G 339 2HO* G 339 17.219 25.776 33.405 685 H1* G 339 H1* G 339 18.289 27.310 34.431 686 H8 G 339 H8 G 339 19.580 26.088 36.195 687 H1 G 339 H1 G 339 14.700 26.330 40.438 688 1H2 G 339 1H2 G 339 13.124 27.377 39.616 689 2H2 G 339 2H2 G 339 13.125 28.082 38.016 690 1H5* A 340 1H5* A 340 16.722 29.420 29.528 691 2H5* A 340 2H5* A 340 18.430 29.351 29.095 692 H4* A 340 H4* A 340 17.017 31.634 29.496 693 H3* A 340 H3* A 340 19.950 31.038 29.575 694 H2* A 340 H2* A 340 20.425 33.262 30.286 695 2HO* A 340 2HO* A 340 18.955 34.609 29.429 696 H1* A 340 H1* A 340 18.458 33.147 32.314 697 H8 A 340 H8 A 340 20.066 29.921 32.592 698 1H6 A 340 1H6 A 340 24.875 32.660 35.478 699 2H6 A 340 2H6 A 340 24.132 31.118 35.113 700 H2 A 340 H2 A 340 22.363 35.834 33.644 701 1H5* A 341 1H5* A 341 19.561 35.206 27.645 702 2H5* A 341 2H5* A 341 20.875 35.119 26.472 703 H4* A 341 H4* A 341 21.001 37.002 28.137 704 H3* A 341 H3* A 341 23.267 35.071 27.714 705 H2* A 341 H2* A 341 24.613 36.313 29.220 706 2HO* A 341 2HO* A 341 22.639 38.194 29.816 707 H1* A 341 H1* A 341 22.653 36.481 31.191 708 H8 A 341 H8 A 341 22.383 33.159 29.528 709 1H6 A 341 1H6 A 341 26.798 31.159 33.459 710 2H6 A 341 2H6 A 341 25.631 30.649 32.260 711 H2 A 341 H2 A 341 26.491 35.576 33.842 712 1H5* C 342 1H5* C 342 24.813 38.494 27.076 713 2H5* C 342 2H5* C 342 25.854 38.889 25.709 714 H4* C 342 H4* C 342 27.060 39.103 27.800 715 H3* C 342 H3* C 342 27.944 37.024 25.848 716 H2* C 342 H2* C 342 29.702 36.313 27.288 717 2HO* C 342 2HO* C 342 30.418 37.966 28.496 718 H1* C 342 H1* C 342 28.035 36.024 29.494 719 1H4 C 342 1H4 C 342 28.255 30.366 26.438 720 2H4 C 342 2H4 C 342 26.644 30.720 25.857 721 H5 C 342 H5 C 342 25.562 32.797 26.162 722 H6 C 342 H6 C 342 25.762 35.068 27.110 723 1H5* A 343 1H5* A 343 31.525 38.756 27.036 724 2H5* A 343 2H5* A 343 32.436 39.292 25.625 725 H4* A 343 H4* A 343 33.875 37.900 26.881 726 H3* A 343 H3* A 343 32.818 36.593 24.392 727 H2* A 343 H2* A 343 34.136 34.667 24.823 728 2HO* A 343 2HO* A 343 35.152 36.390 26.891 729 H1* A 343 H1* A 343 33.346 34.444 27.478 730 H8 A 343 H8 A 343 30.465 35.688 25.460 731 1H6 A 343 1H6 A 343 29.180 29.718 24.174 732 2H6 A 343 2H6 A 343 28.579 31.356 24.048 733 H2 A 343 H2 A 343 33.139 29.886 26.185 734 1H5* C 344 1H5* C 344 37.223 36.773 23.316 735 2H5* C 344 2H5* C 344 37.218 36.852 21.554 736 H4* C 344 H4* C 344 38.276 34.808 22.419 737 H3* C 344 H3* C 344 35.877 34.623 20.640 738 H2* C 344 H2* C 344 35.961 32.247 20.692 739 2HO* C 344 2HO* C 344 37.977 31.495 20.969 740 H1* C 344 H1* C 344 36.213 32.194 23.507 741 1H4 C 344 1H4 C 344 30.011 31.134 22.408 742 2H4 C 344 2H4 C 344 29.763 32.855 22.219 743 H5 C 344 H5 C 344 31.510 34.445 22.229 744 H6 C 344 H6 C 344 33.950 34.776 22.425 745 1H5* C 345 1H5* C 345 38.707 32.414 17.535 746 2H5* C 345 2H5* C 345 37.421 32.172 16.353 747 H4* C 345 H4* C 345 38.368 30.251 18.001 748 H3* C 345 H3* C 345 35.693 30.548 16.659 749 H2* C 345 H2* C 345 34.991 28.495 17.638 750 2HO* C 345 2HO* C 345 36.964 27.671 19.114 751 H1* C 345 H1* C 345 35.890 29.239 20.196 752 1H4 C 345 1H4 C 345 29.614 30.600 19.797 753 2H4 C 345 2H4 C 345 30.080 32.275 19.604 754 H5 C 345 H5 C 345 32.313 32.995 19.326 755 H6 C 345 H6 C 345 34.670 32.277 19.164 756 1H5* C 346 1H5* C 346 35.882 27.110 16.506 757 2H5* C 346 2H5* C 346 36.477 26.393 15.010 758 H4* C 346 H4* C 346 34.741 24.995 15.338 759 H3* C 346 H3* C 346 33.491 27.357 13.949 760 H2* C 346 H2* C 346 31.393 26.244 13.991 761 2HO* C 346 2HO* C 346 31.655 23.967 15.068 762 H1* C 346 H1* C 346 31.727 25.500 16.715 763 1H4 C 346 1H4 C 346 27.776 30.540 16.692 764 2H4 C 346 2H4 C 346 29.176 31.585 16.799 765 H5 C 346 H5 C 346 31.405 30.816 16.659 766 H6 C 346 H6 C 346 32.853 28.836 16.378 767 1H5* G 347 1H5* G 347 32.848 23.794 11.515 768 2H5* G 347 2H5* G 347 32.593 24.130 9.802 769 H4* G 347 H4* G 347 30.665 23.033 10.873 770 H3* G 347 H3* G 347 30.305 25.772 9.673 771 H2* G 347 H2* G 347 27.962 25.598 10.060 772 2HO* G 347 2HO* G 347 27.637 23.292 11.267 773 H1* G 347 H1* G 347 28.327 24.739 12.717 774 H8 G 347 H8 G 347 30.813 27.345 12.438 775 H1 G 347 H1 G 347 24.837 29.829 12.529 776 1H2 G 347 1H2 G 347 23.462 28.327 12.207 777 2H2 G 347 2H2 G 347 23.867 26.645 11.951 778 1H5* G 348 1H5* G 348 27.970 23.760 6.454 779 2H5* G 348 2H5* G 348 27.936 25.017 5.218 780 H4* G 348 H4* G 348 25.853 24.565 6.736 781 H3* G 348 H3* G 348 26.885 27.269 5.879 782 H2* G 348 H2* G 348 24.955 28.252 6.857 783 2HO* G 348 2HO* G 348 23.461 26.700 6.236 784 H1* G 348 H1* G 348 25.217 26.657 9.202 785 H8 G 348 H8 G 348 28.576 27.843 8.690 786 H1 G 348 H1 G 348 24.710 32.654 10.638 787 1H2 G 348 1H2 G 348 22.741 32.074 10.450 788 2H2 G 348 2H2 G 348 22.214 30.516 9.854 789 1H5* C 349 1H5* C 349 23.062 28.620 5.609 790 2H5* C 349 2H5* C 349 22.971 28.937 3.877 791 H4* C 349 H4* C 349 22.542 30.982 4.997 792 H3* C 349 H3* C 349 25.245 30.849 3.695 793 H2* C 349 H2* C 349 25.709 33.063 4.356 794 2HO* C 349 2HO* C 349 22.924 33.007 5.092 795 H1* C 349 H1* C 349 24.497 32.602 6.945 796 1H4 C 349 1H4 C 349 30.782 33.181 8.006 797 2H4 C 349 2H4 C 349 30.969 31.487 7.615 798 H5 C 349 H5 C 349 29.221 30.125 6.797 799 H6 C 349 H6 C 349 26.841 30.054 6.146 800 1H5* C 350 1H5* C 350 23.100 33.778 0.984 801 2H5* C 350 2H5* C 350 23.985 33.825 -0.540 802 H4* C 350 H4* C 350 24.136 35.888 0.898 803 H3* C 350 H3* C 350 26.576 34.458 -0.126 804 H2* C 350 H2* C 350 27.951 36.164 0.784 805 2HO* C 350 2HO* C 350 26.295 37.739 0.133 806 H1* C 350 H1* C 350 26.476 36.164 3.233 807 1H4 C 350 1H4 C 350 31.902 33.048 4.530 808 2H4 C 350 2H4 C 350 31.210 31.597 3.840 809 H5 C 350 H5 C 350 29.114 31.526 2.756 810 H6 C 350 H6 C 350 27.145 32.843 2.059 811 1H5* G 351 1H5* G 351 27.091 38.217 -2.302 812 2H5* G 351 2H5* G 351 27.159 37.776 -4.009 813 H4* G 351 H4* G 351 29.115 38.990 -3.630 814 H3* G 351 H3* G 351 29.634 36.039 -3.692 815 H2* G 351 H2* G 351 31.955 36.398 -3.348 816 2HO* G 351 2HO* G 351 31.155 39.154 -3.599 817 H1* G 351 H1* G 351 31.591 38.132 -1.202 818 H8 G 351 H8 G 351 29.120 35.261 -1.487 819 H1 G 351 H1 G 351 34.348 33.993 2.111 820 1H2 G 351 1H2 G 351 35.680 35.560 1.966 821 2H2 G 351 2H2 G 351 35.421 37.003 1.011 822 1H5* C 352 1H5* C 352 32.245 37.752 -6.359 823 2H5* C 352 2H5* C 352 32.619 36.841 -7.822 824 H4* C 352 H4* C 352 34.612 37.169 -6.488 825 H3* C 352 H3* C 352 33.608 34.358 -6.799 826 H2* C 352 H2* C 352 35.459 33.530 -5.573 827 2HO* C 352 2HO* C 352 36.283 36.283 -5.768 828 H1* C 352 H1* C 352 35.183 35.560 -3.586 829 1H4 C 352 1H4 C 352 32.709 30.346 -0.866 830 2H4 C 352 2H4 C 352 31.262 30.533 -1.831 831 H5 C 352 H5 C 352 31.003 32.171 -3.512 832 H6 C 352 H6 C 352 32.082 34.053 -4.693 833 1H5* A 353 1H5* A 353 36.874 34.311 -10.189 834 2H5* A 353 2H5* A 353 36.227 33.106 -11.303 835 H4* A 353 H4* A 353 38.296 32.501 -9.916 836 H3* A 353 H3* A 353 35.875 30.726 -10.199 837 H2* A 353 H2* A 353 37.039 29.016 -9.036 838 2HO* A 353 2HO* A 353 39.281 29.179 -8.928 839 H1* A 353 H1* A 353 37.959 30.797 -7.042 840 H8 A 353 H8 A 353 34.365 31.039 -8.270 841 1H6 A 353 1H6 A 353 32.912 27.495 -3.343 842 2H6 A 353 2H6 A 353 32.247 28.409 -4.677 843 H2 A 353 H2 A 353 37.338 27.831 -3.557 844 1H5* A 354 1H5* A 354 39.578 28.534 -11.556 845 2H5* A 354 2H5* A 354 39.061 27.393 -12.797 846 H4* A 354 H4* A 354 40.263 26.264 -11.012 847 H3* A 354 H3* A 354 37.380 25.586 -11.448 848 H2* A 354 H2* A 354 37.435 23.982 -9.694 849 2HO* A 354 2HO* A 354 39.632 23.684 -8.705 850 H1* A 354 H1* A 354 38.691 25.769 -7.908 851 H8 A 354 H8 A 354 36.050 27.503 -9.888 852 1H6 A 354 1H6 A 354 31.975 25.581 -5.570 853 2H6 A 354 2H6 A 354 32.179 26.617 -6.965 854 H2 A 354 H2 A 354 35.851 23.538 -4.831 855 1H5* C 355 1H5* C 355 39.176 21.494 -11.525 856 2H5* C 355 2H5* C 355 38.421 20.786 -12.953 857 H4* C 355 H4* C 355 38.011 19.396 -11.027 858 H3* C 355 H3* C 355 35.613 20.802 -12.179 859 H2* C 355 H2* C 355 34.210 19.648 -10.660 860 2HO* C 355 2HO* C 355 36.666 18.265 -10.069 861 H1* C 355 H1* C 355 35.992 20.120 -8.484 862 1H4 C 355 1H4 C 355 31.225 24.307 -7.707 863 2H4 C 355 2H4 C 355 32.007 25.376 -8.850 864 H5 C 355 H5 C 355 33.937 24.800 -10.082 865 H6 C 355 H6 C 355 35.611 23.040 -10.524 866 1H5* C 356 1H5* C 356 35.292 16.571 -12.515 867 2H5* C 356 2H5* C 356 34.137 15.865 -13.645 868 H4* C 356 H4* C 356 33.513 15.391 -11.346 869 H3* C 356 H3* C 356 31.659 17.187 -12.903 870 H2* C 356 H2* C 356 30.112 17.081 -11.108 871 2HO* C 356 2HO* C 356 31.848 15.380 -9.647 872 H1* C 356 H1* C 356 32.119 17.518 -9.163 873 1H4 C 356 1H4 C 356 29.441 23.252 -9.987 874 2H4 C 356 2H4 C 356 30.365 23.465 -11.457 875 H5 C 356 H5 C 356 31.744 21.795 -12.399 876 H6 C 356 H6 C 356 32.584 19.486 -12.159 877 1H5* C 357 1H5* C 357 30.017 13.986 -11.593 878 2H5* C 357 2H5* C 357 29.520 12.573 -12.522 879 H4* C 357 H4* C 357 27.765 12.647 -11.106 880 H3* C 357 H3* C 357 27.033 14.441 -13.381 881 H2* C 357 H2* C 357 25.035 15.125 -12.308 882 2HO* C 357 2HO* C 357 25.074 13.841 -9.990 883 H1* C 357 H1* C 357 26.198 15.742 -9.898 884 1H4 C 357 1H4 C 357 26.760 21.094 -13.352 885 2H4 C 357 2H4 C 357 28.309 20.524 -13.933 886 H5 C 357 H5 C 357 29.180 18.379 -13.466 887 H6 C 357 H6 C 357 28.775 16.231 -12.317 888 1H5* U 358 1H5* U 358 23.406 13.444 -12.250 889 2H5* U 358 2H5* U 358 22.699 12.471 -13.539 890 H4* U 358 H4* U 358 21.120 14.129 -13.204 891 H3* U 358 H3* U 358 22.894 14.935 -15.504 892 H2* U 358 H2* U 358 21.483 16.808 -15.886 893 2HO* U 358 2HO* U 358 19.512 15.826 -15.479 894 H1* U 358 H1* U 358 21.425 17.481 -13.137 895 H3 U 358 H3 U 358 23.754 20.990 -14.735 896 H5 U 358 H5 U 358 26.368 17.769 -15.306 897 H6 U 358 H6 U 358 24.558 16.295 -14.554 898 1H5* G 359 1H5* G 359 18.840 14.256 -16.516 899 2H5* G 359 2H5* G 359 18.343 13.829 -18.153 900 H4* G 359 H4* G 359 17.262 15.871 -17.482 901 H3* G 359 H3* G 359 19.336 16.142 -19.645 902 H2* G 359 H2* G 359 18.744 18.427 -19.905 903 2HO* G 359 2HO* G 359 16.482 17.836 -19.548 904 H1* G 359 H1* G 359 18.803 18.940 -17.148 905 H8 G 359 H8 G 359 21.597 16.644 -18.009 906 H1 G 359 H1 G 359 22.909 22.848 -19.301 907 1H2 G 359 1H2 G 359 21.184 23.966 -19.138 908 2H2 G 359 2H2 G 359 19.615 23.318 -18.715 909 1H5* G 360 1H5* G 360 15.470 17.301 -21.226 910 2H5* G 360 2H5* G 360 15.186 16.710 -22.863 911 H4* G 360 H4* G 360 14.784 19.038 -22.896 912 H3* G 360 H3* G 360 17.361 18.236 -24.204 913 H2* G 360 H2* G 360 17.788 20.498 -24.810 914 2HO* G 360 2HO* G 360 15.247 21.019 -23.562 915 H1* G 360 H1* G 360 17.293 21.460 -22.231 916 H8 G 360 H8 G 360 19.050 18.178 -22.029 917 H1 G 360 H1 G 360 23.037 23.168 -23.067 918 1H2 G 360 1H2 G 360 21.933 24.852 -23.511 919 2H2 G 360 2H2 G 360 20.186 24.904 -23.589 920 1H5* G 361 1H5* G 361 14.502 19.488 -27.150 921 2H5* G 361 2H5* G 361 14.475 18.815 -28.780 922 H4* G 361 H4* G 361 15.273 21.001 -29.031 923 H3* G 361 H3* G 361 17.508 18.992 -29.138 924 H2* G 361 H2* G 361 19.048 20.734 -29.625 925 2HO* G 361 2HO* G 361 17.471 22.907 -29.535 926 H1* G 361 H1* G 361 18.065 22.385 -27.564 927 H8 G 361 H8 G 361 18.235 18.841 -26.424 928 H1 G 361 H1 G 361 23.909 21.933 -26.051 929 1H2 G 361 1H2 G 361 23.773 23.742 -27.031 930 2H2 G 361 2H2 G 361 22.336 24.334 -27.835 931 1H5* A 362 1H5* A 362 16.558 20.871 -32.831 932 2H5* A 362 2H5* A 362 16.754 20.146 -34.427 933 H4* A 362 H4* A 362 18.124 22.063 -34.392 934 H3* A 362 H3* A 362 19.685 19.510 -34.132 935 H2* A 362 H2* A 362 21.717 20.736 -34.171 936 2HO* A 362 2HO* A 362 21.308 23.174 -34.479 937 H1* A 362 H1* A 362 20.887 22.586 -32.262 938 H8 A 362 H8 A 362 19.426 19.369 -31.212 939 1H6 A 362 1H6 A 362 24.945 17.939 -28.675 940 2H6 A 362 2H6 A 362 23.266 17.460 -28.778 941 H2 A 362 H2 A 362 25.468 21.566 -31.188 942 1H5* G 363 1H5* G 363 22.018 22.047 -36.583 943 2H5* G 363 2H5* G 363 22.786 21.007 -37.782 944 H4* G 363 H4* G 363 24.222 22.277 -36.013 945 H3* G 363 H3* G 363 24.623 19.469 -36.999 946 H2* G 363 H2* G 363 26.547 19.244 -35.632 947 2HO* G 363 2HO* G 363 26.717 21.557 -34.358 948 H1* G 363 H1* G 363 25.322 20.227 -33.341 949 H8 G 363 H8 G 363 22.659 18.352 -35.036 950 H1 G 363 H1 G 363 26.934 14.457 -32.132 951 1H2 G 363 1H2 G 363 28.595 15.546 -31.581 952 2H2 G 363 2H2 G 363 28.800 17.260 -31.864 953 1H5* A 364 1H5* A 364 28.740 21.754 -37.714 954 2H5* A 364 2H5* A 364 27.779 22.429 -39.030 955 H4* A 364 H4* A 364 29.472 20.850 -40.438 956 H3* A 364 H3* A 364 30.764 21.064 -37.858 957 H2* A 364 H2* A 364 31.907 22.995 -38.404 958 2HO* A 364 2HO* A 364 33.220 21.490 -40.400 959 H1* A 364 H1* A 364 31.434 22.240 -41.341 960 H8 A 364 H8 A 364 30.141 25.446 -40.021 961 1H6 A 364 1H6 A 364 35.010 28.245 -42.742 962 2H6 A 364 2H6 A 364 33.481 28.525 -41.941 963 H2 A 364 H2 A 364 35.670 23.853 -42.891 964 1H5* G 365 1H5* G 365 32.543 18.580 -37.033 965 2H5* G 365 2H5* G 365 33.520 17.198 -37.528 966 H4* G 365 H4* G 365 31.547 17.240 -35.574 967 H3* G 365 H3* G 365 33.421 15.330 -36.618 968 H2* G 365 H2* G 365 31.794 13.933 -37.498 969 2HO* G 365 2HO* G 365 31.993 12.522 -35.862 970 H1* G 365 H1* G 365 29.872 15.195 -35.463 971 H8 G 365 H8 G 365 27.551 14.306 -35.784 972 H1 G 365 H1 G 365 28.771 12.309 -41.817 973 1H2 G 365 1H2 G 365 30.694 12.833 -42.341 974 2H2 G 365 2H2 G 365 31.811 13.689 -41.301 975 1H5* G 366 1H5* G 366 32.934 15.334 -31.150 976 2H5* G 366 2H5* G 366 33.760 16.770 -31.757 977 H4* G 366 H4* G 366 34.668 14.712 -29.847 978 H3* G 366 H3* G 366 34.597 17.593 -29.983 979 H2* G 366 H2* G 366 36.829 17.794 -30.562 980 2HO* G 366 2HO* G 366 36.833 16.721 -27.888 981 H1* G 366 H1* G 366 37.210 14.992 -29.368 982 H8 G 366 H8 G 366 39.727 14.793 -29.341 983 H1 G 366 H1 G 366 40.293 17.383 -35.245 984 1H2 G 366 1H2 G 366 38.443 18.018 -35.899 985 2H2 G 366 2H2 G 366 36.960 17.872 -34.984 986 1H5* U 367 1H5* U 367 34.641 18.894 -28.439 987 2H5* U 367 2H5* U 367 33.676 19.286 -27.016 988 H4* U 367 H4* U 367 33.868 20.847 -29.214 989 H3* U 367 H3* U 367 31.766 20.636 -27.092 990 H2* U 367 H2* U 367 30.380 22.188 -28.236 991 2HO* U 367 2HO* U 367 31.569 23.646 -29.317 992 H1* U 367 H1* U 367 30.540 20.914 -30.678 993 H3 U 367 H3 U 367 26.473 19.461 -29.432 994 H5 U 367 H5 U 367 29.031 17.492 -26.764 995 H6 U 367 H6 U 367 30.875 18.785 -27.734 996 1H5* C 368 1H5* C 368 32.387 24.463 -27.683 997 2H5* C 368 2H5* C 368 32.557 25.594 -26.340 998 H4* C 368 H4* C 368 30.689 26.250 -27.693 999 H3* C 368 H3* C 368 29.954 25.133 -24.991 1000 H2* C 368 H2* C 368 27.700 25.754 -25.389 1001 2HO* C 368 2HO* C 368 28.822 26.961 -27.753 1002 H1* C 368 H1* C 368 27.727 24.718 -28.022 1003 1H4 C 368 1H4 C 368 24.934 20.161 -24.528 1004 2H4 C 368 2H4 C 368 26.510 19.617 -23.998 1005 H5 C 368 H5 C 368 28.530 20.719 -24.527 1006 H6 C 368 H6 C 368 29.546 22.637 -25.706 1007 1H5* C 369 1H5* C 369 28.851 28.811 -25.408 1008 2H5* C 369 2H5* C 369 29.090 30.210 -24.362 1009 H4* C 369 H4* C 369 26.833 30.225 -24.396 1010 H3* C 369 H3* C 369 27.517 28.292 -22.193 1011 H2* C 369 H2* C 369 25.202 27.994 -21.760 1012 2HO* C 369 2HO* C 369 24.929 30.058 -23.753 1013 H1* C 369 H1* C 369 24.566 27.651 -24.476 1014 1H4 C 369 1H4 C 369 25.210 21.611 -22.597 1015 2H4 C 369 2H4 C 369 26.879 21.892 -22.153 1016 H5 C 369 H5 C 369 27.947 23.992 -22.314 1017 H6 C 369 H6 C 369 27.675 26.364 -22.945 1018 1H5* C 370 1H5* C 370 25.105 31.156 -21.165 1019 2H5* C 370 2H5* C 370 24.982 32.068 -19.660 1020 H4* C 370 H4* C 370 22.926 31.020 -19.804 1021 H3* C 370 H3* C 370 24.733 29.366 -18.048 1022 H2* C 370 H2* C 370 22.899 27.935 -17.568 1023 2HO* C 370 2HO* C 370 21.434 29.878 -19.112 1024 H1* C 370 H1* C 370 22.136 27.786 -20.291 1025 1H4 C 370 1H4 C 370 25.427 22.401 -19.433 1026 2H4 C 370 2H4 C 370 26.914 23.313 -19.300 1027 H5 C 370 H5 C 370 27.017 25.672 -19.324 1028 H6 C 370 H6 C 370 25.706 27.758 -19.486 1029 1H5* A 371 1H5* A 371 21.600 31.431 -15.472 1030 2H5* A 371 2H5* A 371 22.094 31.546 -13.783 1031 H4* A 371 H4* A 371 20.010 30.315 -14.014 1032 H3* A 371 H3* A 371 22.408 28.843 -12.970 1033 H2* A 371 H2* A 371 21.081 26.900 -12.614 1034 2HO* A 371 2HO* A 371 18.977 27.324 -12.256 1035 H1* A 371 H1* A 371 19.998 26.929 -15.173 1036 H8 A 371 H8 A 371 23.458 28.123 -15.589 1037 1H6 A 371 1H6 A 371 25.301 22.161 -15.474 1038 2H6 A 371 2H6 A 371 25.817 23.798 -15.812 1039 H2 A 371 H2 A 371 21.042 22.325 -14.214 1040 1H5* G 372 1H5* G 372 19.210 28.078 -10.350 1041 2H5* G 372 2H5* G 372 19.656 28.495 -8.695 1042 H4* G 372 H4* G 372 18.727 26.346 -8.574 1043 H3* G 372 H3* G 372 21.728 26.282 -8.430 1044 H2* G 372 H2* G 372 21.666 23.932 -8.085 1045 2HO* G 372 2HO* G 372 19.895 23.646 -6.820 1046 H1* G 372 H1* G 372 19.885 23.487 -10.202 1047 H8 G 372 H8 G 372 22.282 26.133 -11.219 1048 H1 G 372 H1 G 372 24.717 20.162 -11.763 1049 1H2 G 372 1H2 G 372 23.461 18.818 -10.830 1050 2H2 G 372 2H2 G 372 21.971 19.246 -10.020 1051 1H5* G 373 1H5* G 373 20.167 24.643 -5.078 1052 2H5* G 373 2H5* G 373 20.826 24.927 -3.467 1053 H4* G 373 H4* G 373 20.886 22.573 -3.967 1054 H3* G 373 H3* G 373 23.545 23.960 -3.785 1055 H2* G 373 H2* G 373 24.660 21.885 -4.078 1056 2HO* G 373 2HO* G 373 23.533 20.185 -3.323 1057 H1* G 373 H1* G 373 23.135 21.134 -6.282 1058 H8 G 373 H8 G 373 23.589 24.781 -6.584 1059 H1 G 373 H1 G 373 28.862 21.465 -8.337 1060 1H2 G 373 1H2 G 373 28.661 19.495 -7.758 1061 2H2 G 373 2H2 G 373 27.272 18.841 -6.922 1062 1H5* G 374 1H5* G 374 23.469 20.346 -1.302 1063 2H5* G 374 2H5* G 374 24.322 20.676 0.204 1064 H4* G 374 H4* G 374 25.204 18.678 -0.807 1065 H3* G 374 H3* G 374 27.012 21.055 -0.677 1066 H2* G 374 H2* G 374 28.780 19.842 -1.709 1067 2HO* G 374 2HO* G 374 26.871 17.693 -1.513 1068 H1* G 374 H1* G 374 27.119 18.908 -3.781 1069 H8 G 374 H8 G 374 26.283 22.451 -3.069 1070 H1 G 374 H1 G 374 31.542 21.785 -6.782 1071 1H2 G 374 1H2 G 374 32.128 19.809 -6.798 1072 2H2 G 374 2H2 G 374 31.316 18.523 -5.935 1073 1H5* U 375 1H5* U 375 29.358 18.224 0.050 1074 2H5* U 375 2H5* U 375 30.181 18.232 1.609 1075 H4* U 375 H4* U 375 31.897 18.024 0.046 1076 H3* U 375 H3* U 375 31.659 20.888 0.951 1077 H2* U 375 H2* U 375 33.566 21.436 -0.326 1078 2HO* U 375 2HO* U 375 33.795 18.624 -0.869 1079 H1* U 375 H1* U 375 32.689 19.770 -2.506 1080 H3 U 375 H3 U 375 32.894 23.758 -4.600 1081 H5 U 375 H5 U 375 29.794 24.278 -1.834 1082 H6 U 375 H6 U 375 30.356 22.066 -0.938 1083 1H5* U 376 1H5* U 376 35.852 19.799 2.084 1084 2H5* U 376 2H5* U 376 36.291 20.925 3.367 1085 H4* U 376 H4* U 376 37.640 21.125 1.274 1086 H3* U 376 H3* U 376 36.126 23.510 2.338 1087 H2* U 376 H2* U 376 37.222 24.859 0.731 1088 2HO* U 376 2HO* U 376 38.807 23.163 -0.556 1089 H1* U 376 H1* U 376 36.851 22.912 -1.323 1090 H3 U 376 H3 U 376 34.563 26.621 -2.692 1091 H5 U 376 H5 U 376 32.061 24.803 0.133 1092 H6 U 376 H6 U 376 33.916 23.285 0.652 1093 2H ALA 1 HN ALA 1 73.518 -0.550 27.782 1094 HA ALA 1 HA ALA 1 72.778 -1.924 29.724 1095 1HB ALA 1 1HB ALA 1 74.907 -0.396 31.232 1096 2HB ALA 1 2HB ALA 1 74.019 -1.861 31.716 1097 3HB ALA 1 3HB ALA 1 75.283 -1.958 30.466 1098 H THR 2 HN THR 2 71.264 -0.301 28.619 1099 HA THR 2 HA THR 2 70.523 1.653 30.586 1100 HB THR 2 HB THR 2 70.628 3.545 28.861 1101 HG1 THR 2 HG1 THR 2 72.407 2.810 27.202 1102 1HG2 THR 2 1HG2 THR 2 73.384 2.304 29.284 1103 2HG2 THR 2 2HG2 THR 2 72.968 4.031 29.164 1104 3HG2 THR 2 3HG2 THR 2 72.506 3.102 30.610 1105 H VAL 3 HN VAL 3 68.351 1.978 30.611 1106 HA VAL 3 HA VAL 3 66.722 1.798 28.359 1107 HB VAL 3 HB VAL 3 67.396 -0.568 28.418 1108 1HG1 VAL 3 1HG1 VAL 3 66.188 -1.881 30.378 1109 2HG1 VAL 3 2HG1 VAL 3 67.829 -1.223 30.578 1110 3HG1 VAL 3 3HG1 VAL 3 66.433 -0.346 31.246 1111 1HG2 VAL 3 1HG2 VAL 3 64.483 -0.110 29.146 1112 2HG2 VAL 3 2HG2 VAL 3 65.196 0.082 27.527 1113 3HG2 VAL 3 3HG2 VAL 3 65.142 -1.525 28.291 1114 H VAL 4 HN VAL 4 64.715 2.659 28.858 1115 HA VAL 4 HA VAL 4 64.114 2.884 31.723 1116 HB VAL 4 HB VAL 4 65.064 4.971 30.977 1117 1HG1 VAL 4 1HG1 VAL 4 62.956 4.897 28.794 1118 2HG1 VAL 4 2HG1 VAL 4 63.960 6.313 29.188 1119 3HG1 VAL 4 3HG1 VAL 4 64.723 4.821 28.587 1120 1HG2 VAL 4 1HG2 VAL 4 63.585 5.812 32.430 1121 2HG2 VAL 4 2HG2 VAL 4 62.571 6.227 31.027 1122 3HG2 VAL 4 3HG2 VAL 4 62.310 4.692 31.891 1123 H SER 5 HN SER 5 62.913 3.014 28.314 1124 HA SER 5 HA SER 5 60.775 1.330 28.962 1125 1HB SER 5 2HB SER 5 59.865 3.412 29.973 1126 2HB SER 5 3HB SER 5 60.067 4.254 28.450 1127 HG SER 5 HG SER 5 57.939 2.848 29.245 1128 H GLY 6 HN GLY 6 59.524 0.753 26.995 1129 1HA GLY 6 1HA GLY 6 61.075 0.641 24.684 1130 2HA GLY 6 2HA GLY 6 59.358 0.307 24.800 1131 H GLN 7 HN GLN 7 59.074 1.285 22.664 1132 HA GLN 7 HA GLN 7 58.164 3.856 22.780 1133 1HB GLN 7 2HB GLN 7 61.030 3.778 22.482 1134 2HB GLN 7 3HB GLN 7 60.348 4.358 20.975 1135 1HG GLN 7 2HG GLN 7 59.003 6.053 22.252 1136 2HG GLN 7 3HG GLN 7 59.726 5.487 23.745 1137 1HE2 GLN 7 1HE2 GLN 7 60.427 6.860 20.567 1138 2HE2 GLN 7 2HE2 GLN 7 61.881 7.700 20.991 1139 H LYS 8 HN LYS 8 57.269 4.563 20.689 1140 HA LYS 8 HA LYS 8 57.097 2.301 18.838 1141 1HB LYS 8 2HB LYS 8 54.992 3.364 18.091 1142 2HB LYS 8 3HB LYS 8 54.974 2.924 19.787 1143 1HG LYS 8 2HG LYS 8 55.215 5.182 20.511 1144 2HG LYS 8 3HG LYS 8 55.825 5.716 18.957 1145 1HD LYS 8 2HD LYS 8 53.700 5.794 17.981 1146 2HD LYS 8 3HD LYS 8 53.055 4.535 19.017 1147 1HE LYS 8 2HE LYS 8 52.932 6.062 20.925 1148 2HE LYS 8 3HE LYS 8 53.810 7.306 20.055 1149 1HZ LYS 8 1HZ LYS 8 51.061 6.628 19.910 1150 2HZ LYS 8 2HZ LYS 8 51.815 8.003 19.453 1151 3HZ LYS 8 3HZ LYS 8 51.740 6.733 18.428 1152 H GLN 9 HN GLN 9 57.574 2.534 16.647 1153 HA GLN 9 HA GLN 9 58.180 5.140 15.657 1154 1HB GLN 9 2HB GLN 9 60.510 4.673 15.052 1155 2HB GLN 9 3HB GLN 9 60.308 4.532 16.787 1156 1HG GLN 9 2HG GLN 9 59.970 2.002 16.421 1157 2HG GLN 9 3HG GLN 9 60.479 2.257 14.763 1158 1HE2 GLN 9 1HE2 GLN 9 62.422 1.406 14.620 1159 2HE2 GLN 9 2HE2 GLN 9 63.786 1.756 15.628 1160 H ASP 10 HN ASP 10 57.717 5.235 13.469 1161 HA ASP 10 HA ASP 10 57.100 4.608 11.489 1162 1HB ASP 10 2HB ASP 10 58.882 2.269 12.218 1163 2HB ASP 10 3HB ASP 10 57.965 2.207 10.726 1164 H ARG 11 HN ARG 11 55.322 3.429 10.461 1165 HA ARG 11 HA ARG 11 54.071 1.501 12.250 1166 1HB ARG 11 2HB ARG 11 53.052 4.005 11.382 1167 2HB ARG 11 3HB ARG 11 52.196 2.824 10.411 1168 1HG ARG 11 2HG ARG 11 50.834 2.476 12.192 1169 2HG ARG 11 3HG ARG 11 52.183 1.688 12.985 1170 1HD ARG 11 2HD ARG 11 52.869 4.238 13.552 1171 2HD ARG 11 3HD ARG 11 51.148 4.498 13.340 1172 HE ARG 11 HE ARG 11 51.841 2.216 15.073 1173 1HH1 ARG 11 2HH2 ARG 11 51.056 5.643 14.916 1174 2HH1 ARG 11 1HH2 ARG 11 50.561 5.736 16.573 1175 1HH2 ARG 11 2HH1 ARG 11 51.187 2.338 17.260 1176 2HH2 ARG 11 1HH1 ARG 11 50.636 3.844 17.915 1177 H GLN 12 HN GLN 12 53.396 -0.452 11.302 1178 HA GLN 12 HA GLN 12 54.506 -1.197 8.916 1179 1HB GLN 12 2HB GLN 12 53.112 -3.221 9.107 1180 2HB GLN 12 3HB GLN 12 53.771 -2.779 10.669 1181 1HG GLN 12 2HG GLN 12 51.580 -1.551 11.153 1182 2HG GLN 12 3HG GLN 12 50.941 -2.226 9.667 1183 1HE2 GLN 12 1HE2 GLN 12 49.544 -3.725 10.208 1184 2HE2 GLN 12 2HE2 GLN 12 49.794 -5.035 11.313 1185 H GLY 13 HN GLY 13 53.739 -1.419 6.766 1186 1HA GLY 13 1HA GLY 13 52.543 -0.878 4.943 1187 2HA GLY 13 2HA GLY 13 51.106 -1.035 5.933 1188 H GLY 14 HN GLY 14 49.922 0.785 6.428 1189 1HA GLY 14 1HA GLY 14 49.844 3.068 7.101 1190 2HA GLY 14 2HA GLY 14 51.256 3.399 6.117 1191 H GLU 15 HN GLU 15 48.832 4.900 5.913 1192 HA GLU 15 HA GLU 15 48.206 4.272 3.159 1193 1HB GLU 15 2HB GLU 15 46.409 3.647 5.197 1194 2HB GLU 15 3HB GLU 15 45.848 5.221 4.669 1195 1HG GLU 15 2HG GLU 15 46.289 4.050 2.232 1196 2HG GLU 15 3HG GLU 15 45.905 2.625 3.177 1197 H ARG 16 HN ARG 16 47.143 6.192 2.032 1198 HA ARG 16 HA ARG 16 48.632 8.441 2.495 1199 1HB ARG 16 2HB ARG 16 46.313 7.679 0.794 1200 2HB ARG 16 3HB ARG 16 46.397 9.396 1.130 1201 1HG ARG 16 2HG ARG 16 48.560 9.614 0.138 1202 2HG ARG 16 3HG ARG 16 48.876 7.892 0.228 1203 1HD ARG 16 2HD ARG 16 47.063 7.483 -1.466 1204 2HD ARG 16 3HD ARG 16 46.780 9.209 -1.569 1205 HE ARG 16 HE ARG 16 48.799 9.473 -2.774 1206 1HH1 ARG 16 2HH2 ARG 16 48.521 6.191 -1.536 1207 2HH1 ARG 16 1HH2 ARG 16 49.831 5.582 -2.492 1208 1HH2 ARG 16 2HH1 ARG 16 50.528 8.671 -4.037 1209 2HH2 ARG 16 1HH1 ARG 16 50.980 7.003 -3.924 1210 H ARG 17 HN ARG 17 48.474 10.020 4.060 1211 HA ARG 17 HA ARG 17 45.928 10.973 4.824 1212 1HB ARG 17 2HB ARG 17 46.873 8.803 6.330 1213 2HB ARG 17 3HB ARG 17 47.377 10.182 7.287 1214 1HG ARG 17 2HG ARG 17 45.010 11.078 7.156 1215 2HG ARG 17 3HG ARG 17 44.538 9.617 6.311 1216 1HD ARG 17 2HD ARG 17 44.547 8.353 8.228 1217 2HD ARG 17 3HD ARG 17 46.030 9.077 8.817 1218 HE ARG 17 HE ARG 17 43.284 10.023 9.340 1219 1HH1 ARG 17 2HH2 ARG 17 46.721 10.762 9.486 1220 2HH1 ARG 17 1HH2 ARG 17 46.533 12.001 10.683 1221 1HH2 ARG 17 2HH1 ARG 17 43.035 11.657 10.916 1222 2HH2 ARG 17 1HH1 ARG 17 44.424 12.514 11.501 1223 H ARG 18 HN ARG 18 46.115 13.003 6.055 1224 HA ARG 18 HA ARG 18 48.447 14.383 5.423 1225 1HB ARG 18 2HB ARG 18 46.190 15.114 7.359 1226 2HB ARG 18 3HB ARG 18 47.391 16.243 6.765 1227 1HG ARG 18 2HG ARG 18 46.215 16.570 4.854 1228 2HG ARG 18 3HG ARG 18 46.241 14.855 4.496 1229 1HD ARG 18 2HD ARG 18 44.312 14.653 6.257 1230 2HD ARG 18 3HD ARG 18 44.174 16.394 6.115 1231 HE ARG 18 HE ARG 18 43.357 16.155 3.903 1232 1HH1 ARG 18 2HH2 ARG 18 44.451 13.058 5.166 1233 2HH1 ARG 18 1HH2 ARG 18 43.724 12.137 3.893 1234 1HH2 ARG 18 2HH1 ARG 18 42.396 14.939 2.223 1235 2HH2 ARG 18 1HH1 ARG 18 42.546 13.214 2.208 1236 H SER 19 HN SER 19 50.104 12.985 6.483 1237 HA SER 19 HA SER 19 50.799 11.987 8.518 1238 1HB SER 19 2HB SER 19 52.481 13.329 7.304 1239 2HB SER 19 3HB SER 19 51.950 14.784 8.122 1240 HG SER 19 HG SER 19 52.746 12.567 9.735 1241 H GLN 20 HN GLN 20 50.676 15.520 9.328 1242 HA GLN 20 HA GLN 20 48.762 15.017 11.387 1243 1HB GLN 20 2HB GLN 20 51.643 15.128 11.975 1244 2HB GLN 20 3HB GLN 20 50.746 16.339 12.867 1245 1HG GLN 20 2HG GLN 20 49.313 14.689 13.883 1246 2HG GLN 20 3HG GLN 20 49.807 13.445 12.750 1247 1HE2 GLN 20 1HE2 GLN 20 50.040 12.459 15.001 1248 2HE2 GLN 20 2HE2 GLN 20 51.613 12.519 15.724 1249 H LEU 21 HN LEU 21 48.462 16.549 9.113 1250 HA LEU 21 HA LEU 21 49.312 19.097 9.011 1251 1HB LEU 21 2HB LEU 21 47.496 17.640 7.690 1252 2HB LEU 21 3HB LEU 21 46.402 18.663 8.601 1253 HG LEU 21 HG LEU 21 48.504 19.520 6.603 1254 1HD1 LEU 21 1HD1 LEU 21 46.673 19.012 5.338 1255 2HD1 LEU 21 2HD1 LEU 21 45.521 19.378 6.644 1256 3HD1 LEU 21 3HD1 LEU 21 46.298 20.703 5.745 1257 1HD2 LEU 21 1HD2 LEU 21 48.376 21.714 7.220 1258 2HD2 LEU 21 2HD2 LEU 21 46.762 21.537 7.950 1259 3HD2 LEU 21 3HD2 LEU 21 48.201 20.944 8.815 1260 H ASP 22 HN ASP 22 49.719 20.301 10.828 1261 HA ASP 22 HA ASP 22 47.882 20.295 12.975 1262 1HB ASP 22 2HB ASP 22 50.571 21.076 12.528 1263 2HB ASP 22 3HB ASP 22 49.740 22.570 12.919 1264 H ARG 23 HN ARG 23 46.653 22.235 13.717 1265 HA ARG 23 HA ARG 23 45.369 23.517 11.629 1266 1HB ARG 23 2HB ARG 23 44.679 23.078 14.160 1267 2HB ARG 23 3HB ARG 23 45.406 24.646 14.447 1268 1HG ARG 23 2HG ARG 23 42.983 24.887 14.024 1269 2HG ARG 23 3HG ARG 23 43.905 25.684 12.764 1270 1HD ARG 23 2HD ARG 23 42.944 24.376 11.175 1271 2HD ARG 23 3HD ARG 23 43.504 22.924 11.980 1272 HE ARG 23 HE ARG 23 41.368 23.580 13.539 1273 1HH1 ARG 23 2HH2 ARG 23 41.710 23.405 10.042 1274 2HH1 ARG 23 1HH2 ARG 23 40.050 22.991 9.772 1275 1HH2 ARG 23 2HH1 ARG 23 39.177 23.035 13.184 1276 2HH2 ARG 23 1HH1 ARG 23 38.599 22.779 11.572 1277 H ASP 24 HN ASP 24 48.450 24.057 12.975 1278 HA ASP 24 HA ASP 24 48.407 26.784 11.951 1279 1HB ASP 24 2HB ASP 24 48.851 26.043 14.618 1280 2HB ASP 24 3HB ASP 24 50.478 26.211 13.987 1281 H GLN 25 HN GLN 25 49.059 24.194 10.634 1282 HA GLN 25 HA GLN 25 51.920 24.624 10.255 1283 1HB GLN 25 2HB GLN 25 51.422 22.449 11.375 1284 2HB GLN 25 3HB GLN 25 50.392 21.993 10.032 1285 1HG GLN 25 2HG GLN 25 52.225 21.850 8.508 1286 2HG GLN 25 3HG GLN 25 53.279 22.797 9.540 1287 1HE2 GLN 25 1HE2 GLN 25 51.763 19.704 9.001 1288 2HE2 GLN 25 2HE2 GLN 25 52.737 18.755 10.073 1289 H CYS 26 HN CYS 26 52.612 24.986 8.154 1290 HA CYS 26 HA CYS 26 50.686 25.629 6.239 1291 1HB CYS 26 2HB CYS 26 52.834 26.729 6.235 1292 2HB CYS 26 3HB CYS 26 53.681 25.212 6.008 1293 H ALA 27 HN ALA 27 49.736 24.389 4.616 1294 HA ALA 27 HA ALA 27 50.394 21.550 4.650 1295 1HB ALA 27 1HB ALA 27 48.126 22.902 3.162 1296 2HB ALA 27 2HB ALA 27 48.234 21.221 3.738 1297 3HB ALA 27 3HB ALA 27 48.024 22.549 4.904 1298 H TYR 28 HN TYR 28 52.297 23.461 3.495 1299 HA TYR 28 HA TYR 28 52.190 22.483 0.727 1300 1HB TYR 28 2HB TYR 28 51.589 25.014 1.263 1301 2HB TYR 28 3HB TYR 28 53.278 25.187 1.697 1302 HD1 TYR 28 HD1 TYR 28 50.948 25.489 -0.923 1303 HD2 TYR 28 HD2 TYR 28 54.998 24.340 -0.158 1304 HE1 TYR 28 HE1 TYR 28 51.538 25.920 -3.358 1305 HE2 TYR 28 HE2 TYR 28 55.574 24.775 -2.595 1306 HH TYR 28 HH TYR 28 54.780 25.195 -4.583 1307 H CYS 29 HN CYS 29 54.274 24.078 3.245 1308 HA CYS 29 HA CYS 29 56.482 22.466 2.199 1309 1HB CYS 29 2HB CYS 29 57.970 24.122 3.301 1310 2HB CYS 29 3HB CYS 29 56.969 24.822 2.045 1311 H LYS 30 HN LYS 30 54.163 22.832 4.710 1312 HA LYS 30 HA LYS 30 53.821 21.618 6.539 1313 1HB LYS 30 2HB LYS 30 56.004 20.164 5.299 1314 2HB LYS 30 3HB LYS 30 56.150 20.124 7.045 1315 1HG LYS 30 2HG LYS 30 54.594 18.467 7.013 1316 2HG LYS 30 3HG LYS 30 53.413 19.714 6.664 1317 1HD LYS 30 2HD LYS 30 54.677 19.128 4.173 1318 2HD LYS 30 3HD LYS 30 54.385 17.576 4.934 1319 1HE LYS 30 2HE LYS 30 52.079 19.390 5.227 1320 2HE LYS 30 3HE LYS 30 52.495 19.132 3.544 1321 1HZ LYS 30 1HZ LYS 30 51.767 17.134 5.546 1322 2HZ LYS 30 2HZ LYS 30 51.108 17.391 4.074 1323 3HZ LYS 30 3HZ LYS 30 52.582 16.699 4.199 1324 H GLU 31 HN GLU 31 55.271 24.268 6.250 1325 HA GLU 31 HA GLU 31 56.998 24.243 8.540 1326 1HB GLU 31 2HB GLU 31 56.185 26.307 6.483 1327 2HB GLU 31 3HB GLU 31 56.963 26.825 7.965 1328 1HG GLU 31 2HG GLU 31 58.949 25.549 7.503 1329 2HG GLU 31 3HG GLU 31 58.153 24.603 6.262 1330 H LYS 32 HN LYS 32 56.361 24.685 10.613 1331 HA LYS 32 HA LYS 32 53.597 25.269 11.073 1332 1HB LYS 32 2HB LYS 32 54.882 23.655 12.439 1333 2HB LYS 32 3HB LYS 32 55.907 24.954 13.013 1334 1HG LYS 32 2HG LYS 32 53.617 26.102 13.702 1335 2HG LYS 32 3HG LYS 32 52.967 24.479 13.575 1336 1HD LYS 32 2HD LYS 32 54.777 23.679 15.157 1337 2HD LYS 32 3HD LYS 32 55.307 25.339 15.341 1338 1HE LYS 32 2HE LYS 32 53.020 25.962 16.181 1339 2HE LYS 32 3HE LYS 32 52.520 24.288 16.029 1340 1HZ LYS 32 1HZ LYS 32 53.756 23.690 17.795 1341 2HZ LYS 32 2HZ LYS 32 54.926 24.802 17.546 1342 3HZ LYS 32 3HZ LYS 32 53.512 25.244 18.233 1343 H GLY 33 HN GLY 33 52.751 27.273 10.977 1344 1HA GLY 33 1HA GLY 33 53.254 29.414 12.430 1345 2HA GLY 33 2HA GLY 33 54.537 29.569 11.247 1346 H HIS 34 HN HIS 34 53.639 29.021 8.829 1347 HA HIS 34 HA HIS 34 51.311 30.767 8.552 1348 1HB HIS 34 2HB HIS 34 52.133 31.311 6.355 1349 2HB HIS 34 3HB HIS 34 53.402 31.567 7.537 1350 HD1 HIS 34 HD1 HIS 34 55.486 29.990 7.446 1351 HD2 HIS 34 HD2 HIS 34 52.611 29.238 4.485 1352 HE1 HIS 34 HE1 HIS 34 56.600 28.451 5.742 1353 H TRP 35 HN TRP 35 50.004 30.235 6.429 1354 HA TRP 35 HA TRP 35 49.470 27.355 6.540 1355 1HB TRP 35 2HB TRP 35 47.786 29.778 6.157 1356 2HB TRP 35 3HB TRP 35 47.321 28.328 5.290 1357 HD1 TRP 35 HD1 TRP 35 48.582 28.688 8.983 1358 HE1 TRP 35 HE1 TRP 35 46.892 27.529 10.646 1359 HE3 TRP 35 HE3 TRP 35 45.202 27.332 5.434 1360 HZ2 TRP 35 HZ2 TRP 35 44.387 26.205 10.298 1361 HZ3 TRP 35 HZ3 TRP 35 43.162 26.109 6.180 1362 HH2 TRP 35 HH2 TRP 35 42.728 25.545 8.519 1363 H ALA 36 HN ALA 36 48.674 26.448 4.337 1364 HA ALA 36 HA ALA 36 50.713 26.757 2.467 1365 1HB ALA 36 1HB ALA 36 48.976 24.843 2.913 1366 2HB ALA 36 2HB ALA 36 47.957 25.741 1.763 1367 3HB ALA 36 3HB ALA 36 49.549 25.130 1.253 1368 H LYS 37 HN LYS 37 47.505 28.315 2.831 1369 HA LYS 37 HA LYS 37 47.540 29.519 0.271 1370 1HB LYS 37 2HB LYS 37 45.895 29.721 2.755 1371 2HB LYS 37 3HB LYS 37 45.810 31.051 1.619 1372 1HG LYS 37 2HG LYS 37 44.602 29.830 0.122 1373 2HG LYS 37 3HG LYS 37 45.703 28.471 0.223 1374 1HD LYS 37 2HD LYS 37 43.867 28.964 2.564 1375 2HD LYS 37 3HD LYS 37 43.162 28.308 1.101 1376 1HE LYS 37 2HE LYS 37 45.700 27.046 2.143 1377 2HE LYS 37 3HE LYS 37 44.204 26.707 2.988 1378 1HZ LYS 37 1HZ LYS 37 43.296 26.156 0.726 1379 2HZ LYS 37 2HZ LYS 37 44.837 26.160 0.184 1380 3HZ LYS 37 3HZ LYS 37 44.383 25.103 1.342 1381 H ASP 38 HN ASP 38 49.515 29.948 2.971 1382 HA ASP 38 HA ASP 38 50.095 32.657 2.071 1383 1HB ASP 38 2HB ASP 38 49.163 31.912 4.620 1384 2HB ASP 38 3HB ASP 38 50.894 32.064 4.849 1385 H CYS 39 HN CYS 39 51.137 29.807 1.481 1386 HA CYS 39 HA CYS 39 53.622 29.555 2.791 1387 1HB CYS 39 2HB CYS 39 52.332 27.673 1.740 1388 2HB CYS 39 3HB CYS 39 52.761 28.305 0.163 1389 HA PRO 40 HA PRO 40 55.736 32.486 0.323 1390 1HB PRO 40 2HB PRO 40 58.276 32.038 1.225 1391 2HB PRO 40 3HB PRO 40 57.127 33.060 2.066 1392 1HG PRO 40 2HG PRO 40 58.022 30.326 2.749 1393 2HG PRO 40 3HG PRO 40 57.226 31.508 3.769 1394 1HD PRO 40 2HD PRO 40 56.025 29.205 2.551 1395 2HD PRO 40 3HD PRO 40 55.206 30.449 3.475 1396 H LYS 41 HN LYS 41 55.664 29.284 -0.152 1397 HA LYS 41 HA LYS 41 57.732 29.342 -2.205 1398 1HB LYS 41 2HB LYS 41 56.140 27.120 -0.911 1399 2HB LYS 41 3HB LYS 41 57.124 26.861 -2.338 1400 1HG LYS 41 2HG LYS 41 59.094 27.011 -1.171 1401 2HG LYS 41 3HG LYS 41 58.534 28.360 -0.201 1402 1HD LYS 41 2HD LYS 41 58.371 26.885 1.522 1403 2HD LYS 41 3HD LYS 41 56.940 26.262 0.724 1404 1HE LYS 41 2HE LYS 41 57.987 24.278 0.405 1405 2HE LYS 41 3HE LYS 41 59.181 25.071 -0.605 1406 1HZ LYS 41 1HZ LYS 41 60.045 23.913 1.397 1407 2HZ LYS 41 2HZ LYS 41 60.525 25.467 1.254 1408 3HZ LYS 41 3HZ LYS 41 59.356 25.069 2.322 1409 H LYS 42 HN LYS 42 54.300 29.704 -1.733 1410 HA LYS 42 HA LYS 42 53.158 28.693 -3.948 1411 1HB LYS 42 2HB LYS 42 52.579 30.748 -2.039 1412 2HB LYS 42 3HB LYS 42 52.134 31.338 -3.627 1413 1HG LYS 42 2HG LYS 42 51.187 28.741 -3.744 1414 2HG LYS 42 3HG LYS 42 50.968 29.101 -2.044 1415 1HD LYS 42 2HD LYS 42 50.121 31.332 -3.788 1416 2HD LYS 42 3HD LYS 42 49.241 29.853 -4.118 1417 1HE LYS 42 2HE LYS 42 49.469 30.172 -1.243 1418 2HE LYS 42 3HE LYS 42 48.872 31.671 -1.926 1419 1HZ LYS 42 1HZ LYS 42 47.537 29.227 -1.646 1420 2HZ LYS 42 2HZ LYS 42 46.932 30.676 -2.093 1421 3HZ LYS 42 3HZ LYS 42 47.537 29.661 -3.220 1422 HA PRO 43 HA PRO 43 55.619 30.692 -7.014 1423 1HB PRO 43 2HB PRO 43 55.165 28.872 -9.001 1424 2HB PRO 43 3HB PRO 43 56.475 28.722 -7.846 1425 1HG PRO 43 2HG PRO 43 53.928 27.225 -7.964 1426 2HG PRO 43 3HG PRO 43 55.402 26.819 -7.108 1427 1HD PRO 43 2HD PRO 43 52.997 27.890 -5.971 1428 2HD PRO 43 3HD PRO 43 54.508 27.592 -5.136 1429 H ARG 44 HN ARG 44 52.841 29.077 -8.474 1430 HA ARG 44 HA ARG 44 51.331 31.371 -8.649 1431 1HB ARG 44 2HB ARG 44 53.087 32.190 -10.203 1432 2HB ARG 44 3HB ARG 44 52.937 30.740 -11.177 1433 1HG ARG 44 2HG ARG 44 51.516 32.079 -12.406 1434 2HG ARG 44 3HG ARG 44 50.342 31.512 -11.235 1435 1HD ARG 44 2HD ARG 44 51.031 33.575 -9.796 1436 2HD ARG 44 3HD ARG 44 51.835 34.168 -11.236 1437 HE ARG 44 HE ARG 44 49.748 34.712 -12.126 1438 1HH1 ARG 44 2HH2 ARG 44 49.302 32.296 -9.608 1439 2HH1 ARG 44 1HH2 ARG 44 47.573 32.356 -9.678 1440 1HH2 ARG 44 2HH1 ARG 44 47.466 34.793 -12.219 1441 2HH2 ARG 44 1HH1 ARG 44 46.521 33.785 -11.175 1442 H GLY 45 HN GLY 45 49.507 30.079 -8.327 1443 1HA GLY 45 1HA GLY 45 49.069 27.526 -9.245 1444 2HA GLY 45 2HA GLY 45 47.819 28.690 -8.853 1445 HA PRO 46 HA PRO 46 46.485 27.442 -9.518 1446 1HB PRO 46 2HB PRO 46 45.074 25.545 -10.889 1447 2HB PRO 46 3HB PRO 46 44.490 27.178 -10.638 1448 1HG PRO 46 2HG PRO 46 45.597 25.961 -13.095 1449 2HG PRO 46 3HG PRO 46 44.633 27.416 -12.928 1450 1HD PRO 46 2HD PRO 46 47.464 27.273 -13.369 1451 2HD PRO 46 3HD PRO 46 46.518 28.721 -13.087 1452 H ARG 47 HN ARG 47 47.374 25.070 -11.991 1453 HA ARG 47 HA ARG 47 48.716 23.371 -11.905 1454 1HB ARG 47 2HB ARG 47 50.038 25.118 -10.231 1455 2HB ARG 47 3HB ARG 47 49.771 23.781 -9.131 1456 1HG ARG 47 2HG ARG 47 51.869 23.299 -10.158 1457 2HG ARG 47 3HG ARG 47 50.731 22.242 -10.969 1458 1HD ARG 47 2HD ARG 47 51.231 24.983 -12.145 1459 2HD ARG 47 3HD ARG 47 52.453 23.748 -12.365 1460 HE ARG 47 HE ARG 47 50.198 22.392 -13.101 1461 1HH1 ARG 47 2HH2 ARG 47 51.397 25.577 -13.995 1462 2HH1 ARG 47 1HH2 ARG 47 50.663 25.555 -15.562 1463 1HH2 ARG 47 2HH1 ARG 47 49.229 22.361 -15.170 1464 2HH2 ARG 47 1HH1 ARG 47 49.421 23.713 -16.236 1465 H GLY 48 HN GLY 48 48.901 21.163 -10.858 1466 1HA GLY 48 1HA GLY 48 47.172 20.687 -8.563 1467 2HA GLY 48 2HA GLY 48 46.635 20.011 -10.088 1468 HA PRO 49 HA PRO 49 50.579 17.843 -8.512 1469 1HB PRO 49 2HB PRO 49 50.666 17.516 -5.800 1470 2HB PRO 49 3HB PRO 49 51.556 18.768 -6.643 1471 1HG PRO 49 2HG PRO 49 49.099 19.014 -5.017 1472 2HG PRO 49 3HG PRO 49 50.224 20.267 -5.503 1473 1HD PRO 49 2HD PRO 49 47.639 19.750 -6.632 1474 2HD PRO 49 3HD PRO 49 48.811 20.925 -7.192 1475 H ARG 50 HN ARG 50 50.467 15.760 -9.049 1476 HA ARG 50 HA ARG 50 48.384 14.317 -7.623 1477 1HB ARG 50 2HB ARG 50 48.007 14.995 -10.197 1478 2HB ARG 50 3HB ARG 50 49.033 13.604 -10.492 1479 1HG ARG 50 2HG ARG 50 47.234 12.644 -8.574 1480 2HG ARG 50 3HG ARG 50 46.232 13.704 -9.544 1481 1HD ARG 50 2HD ARG 50 46.939 12.526 -11.616 1482 2HD ARG 50 3HD ARG 50 48.022 11.504 -10.690 1483 HE ARG 50 HE ARG 50 45.084 11.304 -10.802 1484 1HH1 ARG 50 2HH2 ARG 50 48.019 10.356 -9.110 1485 2HH1 ARG 50 1HH2 ARG 50 47.297 8.966 -8.371 1486 1HH2 ARG 50 2HH1 ARG 50 44.130 9.469 -9.828 1487 2HH2 ARG 50 1HH1 ARG 50 45.071 8.458 -8.781 1488 HA PRO 51 HA PRO 51 52.079 11.904 -7.079 1489 1HB PRO 51 2HB PRO 51 51.269 10.584 -4.827 1490 2HB PRO 51 3HB PRO 51 52.080 12.137 -4.789 1491 1HG PRO 51 2HG PRO 51 49.222 11.525 -4.345 1492 2HG PRO 51 3HG PRO 51 50.118 12.966 -3.904 1493 1HD PRO 51 2HD PRO 51 48.303 12.683 -6.106 1494 2HD PRO 51 3HD PRO 51 49.286 14.084 -5.731 1495 H GLN 52 HN GLN 52 52.474 10.380 -8.546 1496 HA GLN 52 HA GLN 52 50.452 8.746 -9.449 1497 1HB GLN 52 2HB GLN 52 53.456 8.741 -9.649 1498 2HB GLN 52 3HB GLN 52 52.599 7.307 -10.180 1499 1HG GLN 52 2HG GLN 52 51.267 9.707 -11.188 1500 2HG GLN 52 3HG GLN 52 52.964 9.727 -11.628 1501 1HE2 GLN 52 1HE2 GLN 52 53.064 9.129 -13.663 1502 2HE2 GLN 52 2HE2 GLN 52 52.367 7.707 -14.365 1503 H THR 53 HN THR 53 50.187 6.367 -9.232 1504 HA THR 53 HA THR 53 51.283 5.293 -6.733 1505 HB THR 53 HB THR 53 48.349 5.519 -7.565 1506 HG1 THR 53 HG1 THR 53 48.387 6.807 -5.699 1507 1HG2 THR 53 1HG2 THR 53 47.887 3.635 -6.361 1508 2HG2 THR 53 2HG2 THR 53 49.628 3.363 -6.107 1509 3HG2 THR 53 3HG2 THR 53 48.705 4.357 -4.954 1510 H SER 54 HN SER 54 51.696 3.093 -6.723 1511 HA SER 54 HA SER 54 52.234 1.177 -7.589 1512 1HB SER 54 2HB SER 54 49.661 1.094 -7.774 1513 2HB SER 54 3HB SER 54 49.865 1.431 -9.481 1514 HG SER 54 HG SER 54 51.401 -0.511 -9.424 1515 H LEU 55 HN LEU 55 54.215 1.638 -8.610 1516 HA LEU 55 HA LEU 55 54.040 2.485 -11.411 1517 1HB LEU 55 2HB LEU 55 56.309 3.252 -11.177 1518 2HB LEU 55 3HB LEU 55 55.278 3.982 -9.961 1519 HG LEU 55 HG LEU 55 56.607 1.541 -9.018 1520 1HD1 LEU 55 1HD1 LEU 55 58.230 2.818 -10.701 1521 2HD1 LEU 55 2HD1 LEU 55 58.501 3.826 -9.260 1522 3HD1 LEU 55 3HD1 LEU 55 58.809 2.075 -9.191 1523 1HD2 LEU 55 1HD2 LEU 55 55.611 4.035 -8.001 1524 2HD2 LEU 55 2HD2 LEU 55 56.080 2.560 -7.121 1525 3HD2 LEU 55 3HD2 LEU 55 57.297 3.808 -7.478 1526 H LEU 56 HN LEU 56 56.077 1.550 -12.704 1527 HA LEU 56 HA LEU 56 56.602 -0.324 -13.814 1528 1HB LEU 56 2HB LEU 56 58.408 -1.319 -12.864 1529 2HB LEU 56 3HB LEU 56 58.288 0.137 -11.897 1530 HG LEU 56 HG LEU 56 56.836 -1.453 -10.323 1531 1HD1 LEU 56 1HD1 LEU 56 57.066 -3.670 -10.553 1532 2HD1 LEU 56 2HD1 LEU 56 57.521 -3.289 -12.231 1533 3HD1 LEU 56 3HD1 LEU 56 58.784 -3.549 -11.004 1534 1HD2 LEU 56 1HD2 LEU 56 58.523 -0.635 -9.108 1535 2HD2 LEU 56 2HD2 LEU 56 59.352 -2.165 -9.480 1536 3HD2 LEU 56 3HD2 LEU 56 59.670 -0.719 -10.466 Start of MODEL 20 1 1H5* G 276 1H5* G 276 43.885 4.505 -4.586 2 2H5* G 276 2H5* G 276 44.687 3.276 -5.564 3 H4* G 276 H4* G 276 44.606 5.407 -6.726 4 H3* G 276 H3* G 276 47.346 4.427 -5.922 5 H2* G 276 H2* G 276 48.293 6.178 -7.203 6 2HO* G 276 2HO* G 276 45.629 6.871 -8.001 7 H1* G 276 H1* G 276 46.410 8.079 -6.225 8 H8 G 276 H8 G 276 47.832 5.923 -3.525 9 H1 G 276 H1 G 276 51.563 10.996 -5.016 10 1H2 G 276 1H2 G 276 50.850 11.896 -6.729 11 2H2 G 276 2H2 G 276 49.449 11.356 -7.627 12 1H5* G 277 1H5* G 277 47.577 4.504 -10.441 13 2H5* G 277 2H5* G 277 48.637 3.143 -10.813 14 H4* G 277 H4* G 277 49.519 5.218 -11.719 15 H3* G 277 H3* G 277 51.124 3.938 -9.506 16 H2* G 277 H2* G 277 52.859 5.497 -9.940 17 2HO* G 277 2HO* G 277 52.337 6.941 -11.893 18 H1* G 277 H1* G 277 50.998 7.653 -10.132 19 H8 G 277 H8 G 277 50.229 5.619 -7.146 20 H1 G 277 H1 G 277 55.167 9.692 -6.191 21 1H2 G 277 1H2 G 277 55.771 10.478 -7.998 22 2H2 G 277 2H2 G 277 55.047 10.092 -9.543 23 1H5* C 278 1H5* C 278 53.319 4.168 -13.100 24 2H5* C 278 2H5* C 278 54.423 2.835 -13.436 25 H4* C 278 H4* C 278 55.624 4.914 -13.529 26 H3* C 278 H3* C 278 56.303 3.150 -11.183 27 H2* C 278 H2* C 278 58.063 4.636 -10.614 28 2HO* C 278 2HO* C 278 58.483 6.366 -12.222 29 H1* C 278 H1* C 278 56.451 6.925 -10.920 30 1H4 C 278 1H4 C 278 56.419 5.605 -4.658 31 2H4 C 278 2H4 C 278 55.045 4.555 -4.920 32 H5 C 278 H5 C 278 54.183 4.022 -7.054 33 H6 C 278 H6 C 278 54.432 4.371 -9.486 34 1H5* G 279 1H5* G 279 59.829 3.492 -13.809 35 2H5* G 279 2H5* G 279 60.764 1.998 -13.850 36 H4* G 279 H4* G 279 62.205 3.821 -13.254 37 H3* G 279 H3* G 279 61.644 1.826 -11.081 38 H2* G 279 H2* G 279 63.168 2.956 -9.640 39 2HO* G 279 2HO* G 279 64.665 4.255 -10.613 40 H1* G 279 H1* G 279 62.018 5.449 -10.073 41 H8 G 279 H8 G 279 59.195 3.087 -10.126 42 H1 G 279 H1 G 279 61.299 4.293 -4.125 43 1H2 G 279 1H2 G 279 63.109 5.277 -4.214 44 2H2 G 279 2H2 G 279 63.935 5.711 -5.695 45 1H5* G 280 1H5* G 280 66.329 1.493 -11.132 46 2H5* G 280 2H5* G 280 66.381 -0.255 -10.907 47 H4* G 280 H4* G 280 67.602 1.045 -9.174 48 H3* G 280 H3* G 280 65.399 -0.852 -8.425 49 H2* G 280 H2* G 280 65.816 -0.448 -6.118 50 2HO* G 280 2HO* G 280 67.990 1.102 -7.202 51 H1* G 280 H1* G 280 65.785 2.318 -6.385 52 H8 G 280 H8 G 280 63.238 1.203 -8.770 53 H1 G 280 H1 G 280 61.185 0.796 -2.645 54 1H2 G 280 1H2 G 280 62.786 1.019 -1.366 55 2H2 G 280 2H2 G 280 64.439 1.278 -1.876 56 1H5* U 281 1H5* U 281 67.832 -1.570 -5.963 57 2H5* U 281 2H5* U 281 68.731 -3.086 -5.913 58 H4* U 281 H4* U 281 67.989 -2.929 -3.750 59 H3* U 281 H3* U 281 65.898 -4.514 -5.249 60 H2* U 281 H2* U 281 64.801 -4.901 -3.194 61 2HO* U 281 2HO* U 281 67.161 -3.678 -2.082 62 H1* U 281 H1* U 281 65.229 -2.205 -2.329 63 H3 U 281 H3 U 281 60.699 -2.692 -2.421 64 H5 U 281 H5 U 281 61.792 -2.277 -6.442 65 H6 U 281 H6 U 281 64.131 -2.429 -5.719 66 2HO* AP7 282 2HO* A 282 64.666 -8.180 0.396 67 H2* AP7 282 H2* A 282 62.700 -8.807 -1.615 68 H3* AP7 282 H3* A 282 64.592 -9.126 -2.992 69 H4* AP7 282 H4* A 282 66.347 -8.058 -0.786 70 H1* AP7 282 H1* A 282 63.670 -6.266 -0.700 71 H8 AP7 282 H8 A 282 63.706 -6.852 -4.419 72 H2 AP7 282 H2 A 282 59.214 -4.881 -0.262 73 H1 AP7 282 H1 A 282 58.149 -4.402 -2.194 74 1H6 AP7 282 1H6 A 282 58.000 -4.326 -4.500 75 2H6 AP7 282 2H6 A 282 59.309 -4.902 -5.506 76 2H5* AP7 282 2H5* A 282 67.383 -9.009 -2.829 77 1H5* AP7 282 1H5* A 282 67.811 -7.326 -2.521 78 1H5* C 283 1H5* C 283 64.111 -11.959 0.351 79 2H5* C 283 2H5* C 283 63.204 -13.392 -0.133 80 H4* C 283 H4* C 283 61.970 -11.748 1.314 81 H3* C 283 H3* C 283 60.877 -12.666 -1.336 82 H2* C 283 H2* C 283 58.865 -11.486 -0.897 83 2HO* C 283 2HO* C 283 59.056 -12.135 1.377 84 H1* C 283 H1* C 283 60.195 -9.151 -0.094 85 1H4 C 283 1H4 C 283 58.782 -8.350 -6.290 86 2H4 C 283 2H4 C 283 60.347 -9.021 -6.689 87 H5 C 283 H5 C 283 61.821 -9.959 -5.101 88 H6 C 283 H6 C 283 62.157 -10.490 -2.712 89 1H5* U 284 1H5* U 284 57.704 -13.603 1.266 90 2H5* U 284 2H5* U 284 57.452 -15.346 1.197 91 H4* U 284 H4* U 284 55.329 -14.403 0.905 92 H3* U 284 H3* U 284 56.501 -15.320 -1.706 93 H2* U 284 H2* U 284 54.488 -14.733 -2.820 94 2HO* U 284 2HO* U 284 52.740 -14.936 -1.549 95 H1* U 284 H1* U 284 54.334 -12.207 -1.648 96 H3 U 284 H3 U 284 55.540 -11.263 -5.914 97 H5 U 284 H5 U 284 59.067 -12.690 -4.166 98 H6 U 284 H6 U 284 57.738 -13.261 -2.185 99 1H5* A 285 1H5* A 285 52.239 -17.756 -1.953 100 2H5* A 285 2H5* A 285 52.967 -18.847 -3.132 101 H4* A 285 H4* A 285 50.976 -17.180 -3.731 102 H3* A 285 H3* A 285 53.228 -18.158 -5.471 103 H2* A 285 H2* A 285 52.326 -16.941 -7.300 104 2HO* A 285 2HO* A 285 50.206 -15.757 -6.088 105 H1* A 285 H1* A 285 51.975 -14.597 -5.807 106 H8 A 285 H8 A 285 55.165 -16.004 -4.654 107 1H6 A 285 1H6 A 285 57.865 -13.525 -9.706 108 2H6 A 285 2H6 A 285 58.175 -14.287 -8.162 109 H2 A 285 H2 A 285 53.458 -13.260 -10.213 110 1H5* G 286 1H5* G 286 49.628 -19.221 -8.046 111 2H5* G 286 2H5* G 286 50.159 -20.768 -8.707 112 H4* G 286 H4* G 286 49.619 -19.095 -10.439 113 H3* G 286 H3* G 286 52.432 -20.176 -10.296 114 H2* G 286 H2* G 286 52.911 -19.073 -12.342 115 2HO* G 286 2HO* G 286 51.122 -18.312 -13.566 116 H1* G 286 H1* G 286 51.634 -16.683 -11.485 117 H8 G 286 H8 G 286 53.734 -17.964 -8.731 118 H1 G 286 H1 G 286 57.168 -14.854 -13.250 119 1H2 G 286 1H2 G 286 55.991 -14.536 -14.913 120 2H2 G 286 2H2 G 286 54.322 -15.037 -15.060 121 1H5* U 287 1H5* U 287 50.637 -20.896 -13.998 122 2H5* U 287 2H5* U 287 51.178 -22.304 -14.913 123 H4* U 287 H4* U 287 51.525 -20.229 -16.150 124 H3* U 287 H3* U 287 53.936 -21.840 -15.367 125 H2* U 287 H2* U 287 55.347 -20.333 -16.517 126 2HO* U 287 2HO* U 287 52.822 -19.264 -17.402 127 H1* U 287 H1* U 287 53.919 -18.064 -15.497 128 H3 U 287 H3 U 287 58.301 -17.735 -14.141 129 H5 U 287 H5 U 287 56.458 -20.288 -11.380 130 H6 U 287 H6 U 287 54.504 -20.318 -12.861 131 1H5* U 288 1H5* U 288 54.228 -21.259 -19.247 132 2H5* U 288 2H5* U 288 54.632 -22.602 -20.316 133 H4* U 288 H4* U 288 56.344 -21.089 -20.689 134 H3* U 288 H3* U 288 57.292 -23.103 -18.646 135 H2* U 288 H2* U 288 59.447 -22.144 -18.784 136 2HO* U 288 2HO* U 288 59.946 -21.329 -20.744 137 H1* U 288 H1* U 288 58.373 -19.486 -18.830 138 H3 U 288 H3 U 288 60.993 -19.571 -15.110 139 H5 U 288 H5 U 288 57.583 -21.748 -14.028 140 H6 U 288 H6 U 288 56.875 -21.615 -16.372 141 1H5* G 289 1H5* G 289 60.395 -24.048 -21.658 142 2H5* G 289 2H5* G 289 60.584 -25.782 -21.399 143 H4* G 289 H4* G 289 62.627 -24.499 -20.898 144 H3* G 289 H3* G 289 61.318 -26.077 -18.692 145 H2* G 289 H2* G 289 63.172 -25.588 -17.283 146 2HO* G 289 2HO* G 289 65.064 -24.959 -18.279 147 H1* G 289 H1* G 289 63.132 -22.850 -17.942 148 H8 G 289 H8 G 289 59.755 -24.478 -17.458 149 H1 G 289 H1 G 289 62.356 -22.050 -12.051 150 1H2 G 289 1H2 G 289 64.292 -21.449 -12.428 151 2H2 G 289 2H2 G 289 65.092 -21.583 -13.979 152 1H5* A 290 1H5* A 290 61.799 -29.559 -17.161 153 2H5* A 290 2H5* A 290 62.287 -27.868 -17.053 154 H4* A 290 H4* A 290 63.350 -29.872 -15.578 155 H3* A 290 H3* A 290 64.356 -27.169 -16.334 156 H2* A 290 H2* A 290 66.517 -27.614 -15.476 157 2HO* A 290 2HO* A 290 65.488 -28.802 -13.699 158 H1* A 290 H1* A 290 66.861 -30.015 -16.752 159 H8 A 290 H8 A 290 64.687 -27.418 -18.508 160 1H6 A 290 1H6 A 290 69.851 -25.916 -21.675 161 2H6 A 290 2H6 A 290 68.135 -25.602 -21.529 162 H2 A 290 H2 A 290 70.931 -28.944 -18.609 163 1H5* G 291 1H5* G 291 66.865 -27.498 -13.072 164 2H5* G 291 2H5* G 291 66.490 -26.022 -12.182 165 H4* G 291 H4* G 291 68.843 -26.206 -13.025 166 H3* G 291 H3* G 291 67.092 -23.852 -13.649 167 H2* G 291 H2* G 291 68.882 -22.795 -14.805 168 2HO* G 291 2HO* G 291 70.322 -25.097 -13.842 169 H1* G 291 H1* G 291 69.470 -25.012 -16.362 170 H8 G 291 H8 G 291 65.825 -24.384 -15.433 171 H1 G 291 H1 G 291 67.660 -21.956 -21.146 172 1H2 G 291 1H2 G 291 69.691 -22.221 -21.386 173 2H2 G 291 2H2 G 291 70.740 -22.987 -20.215 174 1H5* A 292 1H5* A 292 69.508 -22.339 -9.757 175 2H5* A 292 2H5* A 292 68.783 -20.762 -9.444 176 H4* A 292 H4* A 292 71.021 -20.774 -10.624 177 H3* A 292 H3* A 292 68.624 -19.263 -11.597 178 H2* A 292 H2* A 292 69.848 -18.408 -13.440 179 2HO* A 292 2HO* A 292 72.082 -18.455 -13.296 180 H1* A 292 H1* A 292 70.866 -20.870 -14.213 181 H8 A 292 H8 A 292 67.344 -20.671 -12.745 182 1H6 A 292 1H6 A 292 65.384 -20.695 -18.670 183 2H6 A 292 2H6 A 292 64.856 -20.720 -17.003 184 H2 A 292 H2 A 292 69.825 -20.567 -18.676 185 1H5* A 293 1H5* A 293 70.971 -15.749 -12.988 186 2H5* A 293 2H5* A 293 69.663 -14.694 -12.452 187 H4* A 293 H4* A 293 70.062 -15.214 -15.001 188 H3* A 293 H3* A 293 67.457 -14.832 -13.560 189 H2* A 293 H2* A 293 66.262 -15.164 -15.583 190 2HO* A 293 2HO* A 293 68.934 -15.153 -16.655 191 H1* A 293 H1* A 293 67.626 -17.477 -16.282 192 H8 A 293 H8 A 293 67.380 -17.627 -12.614 193 1H6 A 293 1H6 A 293 61.546 -19.735 -13.299 194 2H6 A 293 2H6 A 293 62.842 -19.500 -12.148 195 H2 A 293 H2 A 293 62.965 -18.264 -17.245 196 1H5* A 294 1H5* A 294 67.235 -12.990 -17.399 197 2H5* A 294 2H5* A 294 66.715 -11.324 -17.146 198 H4* A 294 H4* A 294 65.345 -12.267 -18.845 199 H3* A 294 H3* A 294 63.946 -11.884 -16.211 200 H2* A 294 H2* A 294 61.901 -12.582 -17.198 201 2HO* A 294 2HO* A 294 61.994 -12.924 -19.572 202 H1* A 294 H1* A 294 63.022 -14.846 -18.390 203 H8 A 294 H8 A 294 64.561 -14.269 -15.035 204 1H6 A 294 1H6 A 294 59.802 -17.522 -12.643 205 2H6 A 294 2H6 A 294 61.350 -16.795 -12.274 206 H2 A 294 H2 A 294 58.940 -16.747 -16.933 207 1H5* C 295 1H5* C 295 62.032 -10.309 -19.152 208 2H5* C 295 2H5* C 295 61.207 -8.749 -19.170 209 H4* C 295 H4* C 295 59.544 -10.312 -19.667 210 H3* C 295 H3* C 295 59.402 -9.509 -16.765 211 H2* C 295 H2* C 295 57.407 -10.773 -16.545 212 2HO* C 295 2HO* C 295 57.587 -11.433 -19.316 213 H1* C 295 H1* C 295 58.487 -12.989 -17.935 214 1H4 C 295 1H4 C 295 59.110 -14.546 -11.778 215 2H4 C 295 2H4 C 295 60.508 -13.500 -11.660 216 H5 C 295 H5 C 295 61.260 -12.105 -13.411 217 H6 C 295 H6 C 295 60.853 -11.364 -15.731 218 1H5* U 296 1H5* U 296 55.942 -8.769 -18.431 219 2H5* U 296 2H5* U 296 54.948 -7.367 -18.037 220 H4* U 296 H4* U 296 53.701 -9.255 -17.394 221 H3* U 296 H3* U 296 54.973 -7.927 -14.998 222 H2* U 296 H2* U 296 53.746 -9.376 -13.602 223 2HO* U 296 2HO* U 296 51.797 -9.183 -14.732 224 H1* U 296 H1* U 296 54.173 -11.596 -15.397 225 H3 U 296 H3 U 296 55.797 -12.925 -11.330 226 H5 U 296 H5 U 296 58.759 -10.422 -12.914 227 H6 U 296 H6 U 296 57.177 -9.843 -14.695 228 1H5* A 297 1H5* A 297 50.577 -7.606 -14.773 229 2H5* A 297 2H5* A 297 50.049 -6.267 -13.753 230 H4* A 297 H4* A 297 49.187 -8.393 -12.944 231 H3* A 297 H3* A 297 51.095 -6.876 -11.197 232 H2* A 297 H2* A 297 50.865 -8.505 -9.480 233 2HO* A 297 2HO* A 297 48.584 -8.732 -10.057 234 H1* A 297 H1* A 297 51.240 -10.644 -11.298 235 H8 A 297 H8 A 297 53.707 -8.037 -12.126 236 1H6 A 297 1H6 A 297 57.303 -10.287 -7.549 237 2H6 A 297 2H6 A 297 57.268 -9.201 -8.920 238 H2 A 297 H2 A 297 53.285 -12.152 -7.204 239 1H5* G 298 1H5* G 298 48.088 -8.153 -8.213 240 2H5* G 298 2H5* G 298 47.650 -6.580 -7.547 241 H4* G 298 H4* G 298 48.276 -7.960 -5.727 242 H3* G 298 H3* G 298 50.312 -5.868 -6.425 243 H2* G 298 H2* G 298 51.671 -6.547 -4.601 244 2HO* G 298 2HO* G 298 50.672 -7.672 -2.963 245 H1* G 298 H1* G 298 51.349 -9.301 -5.268 246 H8 G 298 H8 G 298 52.112 -7.422 -8.344 247 H1 G 298 H1 G 298 57.379 -8.547 -4.753 248 1H2 G 298 1H2 G 298 56.810 -9.225 -2.891 249 2H2 G 298 2H2 G 298 55.154 -9.455 -2.378 250 1H5* C 299 1H5* C 299 49.742 -5.790 -2.699 251 2H5* C 299 2H5* C 299 49.549 -4.330 -1.729 252 H4* C 299 H4* C 299 51.470 -5.602 -0.985 253 H3* C 299 H3* C 299 51.991 -2.911 -2.212 254 H2* C 299 H2* C 299 54.303 -3.132 -1.806 255 2HO* C 299 2HO* C 299 53.909 -4.041 0.290 256 H1* C 299 H1* C 299 54.282 -5.888 -2.630 257 1H4 C 299 1H4 C 299 57.166 -2.605 -7.313 258 2H4 C 299 2H4 C 299 55.594 -2.332 -8.030 259 H5 C 299 H5 C 299 53.556 -2.941 -7.004 260 H6 C 299 H6 C 299 52.514 -3.972 -5.016 261 1H5* U 300 1H5* U 300 53.325 -3.427 2.038 262 2H5* U 300 2H5* U 300 53.428 -1.912 2.935 263 H4* U 300 H4* U 300 55.491 -3.151 3.141 264 H3* U 300 H3* U 300 55.633 -0.582 1.578 265 H2* U 300 H2* U 300 57.983 -0.822 1.416 266 2HO* U 300 2HO* U 300 57.928 -3.225 2.908 267 H1* U 300 H1* U 300 57.895 -3.504 0.669 268 H3 U 300 H3 U 300 59.054 -1.405 -3.180 269 H5 U 300 H5 U 300 54.953 -0.641 -2.810 270 H6 U 300 H6 U 300 55.063 -1.668 -0.586 271 1H5* C 301 1H5* C 301 57.750 0.343 5.414 272 2H5* C 301 2H5* C 301 58.185 2.051 5.477 273 H4* C 301 H4* C 301 60.068 0.487 4.959 274 H3* C 301 H3* C 301 59.377 2.800 3.180 275 H2* C 301 H2* C 301 61.170 2.281 1.731 276 2HO* C 301 2HO* C 301 62.483 0.316 2.650 277 H1* C 301 H1* C 301 60.574 -0.515 1.810 278 1H4 C 301 1H4 C 301 58.472 1.534 -3.870 279 2H4 C 301 2H4 C 301 56.986 2.052 -3.105 280 H5 C 301 H5 C 301 56.619 1.993 -0.772 281 H6 C 301 H6 C 301 57.596 1.419 1.422 282 1H5* U 302 1H5* U 302 62.970 2.982 3.475 283 2H5* U 302 2H5* U 302 63.866 4.290 4.247 284 H4* U 302 H4* U 302 64.906 4.436 2.271 285 H3* U 302 H3* U 302 62.360 5.948 1.793 286 H2* U 302 H2* U 302 62.947 6.279 -0.484 287 2HO* U 302 2HO* U 302 65.392 5.027 0.384 288 H1* U 302 H1* U 302 63.622 3.596 -0.900 289 H3 U 302 H3 U 302 59.752 3.353 -3.124 290 H5 U 302 H5 U 302 58.520 4.598 0.680 291 H6 U 302 H6 U 302 60.888 4.677 1.312 292 1H5* G 303 1H5* G 303 65.554 8.535 0.692 293 2H5* G 303 2H5* G 303 65.149 10.249 0.617 294 H4* G 303 H4* G 303 65.549 9.251 -1.599 295 H3* G 303 H3* G 303 62.801 10.366 -1.026 296 H2* G 303 H2* G 303 62.278 10.092 -3.317 297 2HO* G 303 2HO* G 303 65.066 9.400 -3.549 298 H1* G 303 H1* G 303 63.493 7.523 -3.432 299 H8 G 303 H8 G 303 61.471 7.609 -0.374 300 H1 G 303 H1 G 303 57.843 6.846 -5.678 301 1H2 G 303 1H2 G 303 58.981 7.234 -7.353 302 2H2 G 303 2H2 G 303 60.667 7.699 -7.325 303 1H5* U 304 1H5* U 304 60.699 13.304 -2.309 304 2H5* U 304 2H5* U 304 61.353 11.665 -2.303 305 H4* U 304 H4* U 304 61.853 12.934 -4.851 306 H3* U 304 H3* U 304 59.096 13.278 -3.772 307 H2* U 304 H2* U 304 58.092 12.471 -5.753 308 2HO* U 304 2HO* U 304 59.517 13.512 -7.170 309 H1* U 304 H1* U 304 59.606 10.204 -5.985 310 H3 U 304 H3 U 304 55.473 9.237 -4.133 311 H5 U 304 H5 U 304 58.109 9.767 -0.922 312 H6 U 304 H6 U 304 59.747 10.618 -2.536 313 1H5* A 305 1H5* A 305 60.041 17.329 -6.252 314 2H5* A 305 2H5* A 305 58.700 18.399 -5.845 315 H4* A 305 H4* A 305 58.491 17.258 -8.050 316 H3* A 305 H3* A 305 56.378 17.076 -5.946 317 H2* A 305 H2* A 305 55.023 15.690 -7.329 318 2HO* A 305 2HO* A 305 56.825 15.443 -9.409 319 H1* A 305 H1* A 305 57.140 13.943 -7.915 320 H8 A 305 H8 A 305 57.569 14.761 -4.373 321 1H6 A 305 1H6 A 305 53.113 10.597 -3.049 322 2H6 A 305 2H6 A 305 54.370 11.596 -2.355 323 H2 A 305 H2 A 305 53.094 11.304 -7.435 324 1H5* U 306 1H5* U 306 54.755 17.786 -5.079 325 2H5* U 306 2H5* U 306 54.150 19.375 -5.542 326 H4* U 306 H4* U 306 54.150 18.401 -3.015 327 H3* U 306 H3* U 306 54.135 21.228 -4.044 328 H2* U 306 H2* U 306 54.435 22.056 -1.917 329 2HO* U 306 2HO* U 306 52.488 20.832 -1.371 330 H1* U 306 H1* U 306 55.608 19.437 -1.072 331 H3 U 306 H3 U 306 58.855 21.504 1.176 332 H5 U 306 H5 U 306 58.457 23.934 -2.212 333 H6 U 306 H6 U 306 56.662 22.436 -2.953 334 1H5* C 307 1H5* C 307 50.305 20.521 -1.205 335 2H5* C 307 2H5* C 307 49.183 20.761 -2.544 336 H4* C 307 H4* C 307 48.908 21.806 -0.038 337 H3* C 307 H3* C 307 47.697 22.507 -2.683 338 H2* C 307 H2* C 307 46.642 24.426 -1.748 339 2HO* C 307 2HO* C 307 47.873 23.665 0.731 340 H1* C 307 H1* C 307 48.971 25.396 -0.594 341 1H4 C 307 1H4 C 307 48.572 27.920 -6.492 342 2H4 C 307 2H4 C 307 49.776 26.753 -6.987 343 H5 C 307 H5 C 307 50.555 25.000 -5.608 344 H6 C 307 H6 C 307 50.368 23.926 -3.394 345 1H5* U 308 1H5* U 308 46.295 19.950 0.181 346 2H5* U 308 2H5* U 308 46.570 18.615 -0.939 347 H4* U 308 H4* U 308 43.895 18.403 0.021 348 H3* U 308 H3* U 308 45.583 19.533 2.067 349 H2* U 308 H2* U 308 45.828 17.711 3.499 350 2HO* U 308 2HO* U 308 43.706 16.591 1.904 351 H1* U 308 H1* U 308 46.324 15.740 1.732 352 H3 U 308 H3 U 308 50.067 17.911 -0.526 353 H5 U 308 H5 U 308 49.802 18.966 3.518 354 H6 U 308 H6 U 308 47.562 17.972 3.529 355 1H5* G 309 1H5* G 309 41.986 19.089 3.702 356 2H5* G 309 2H5* G 309 40.409 19.837 3.447 357 H4* G 309 H4* G 309 40.676 20.096 5.709 358 H3* G 309 H3* G 309 41.636 22.591 4.351 359 H2* G 309 H2* G 309 42.195 23.563 6.441 360 2HO* G 309 2HO* G 309 40.231 22.444 7.297 361 H1* G 309 H1* G 309 43.609 21.375 7.365 362 H8 G 309 H8 G 309 43.826 21.914 3.620 363 H1 G 309 H1 G 309 48.386 24.965 7.053 364 1H2 G 309 1H2 G 309 47.976 24.775 9.065 365 2H2 G 309 2H2 G 309 46.602 23.917 9.723 366 1H5* G 310 1H5* G 310 40.788 24.381 7.810 367 2H5* G 310 2H5* G 310 39.064 24.136 7.536 368 H4* G 310 H4* G 310 40.216 26.340 8.697 369 H3* G 310 H3* G 310 37.510 25.946 7.417 370 H2* G 310 H2* G 310 36.979 28.181 7.988 371 2HO* G 310 2HO* G 310 38.163 27.750 10.051 372 H1* G 310 H1* G 310 39.578 29.089 7.183 373 H8 G 310 H8 G 310 38.295 27.009 4.472 374 H1 G 310 H1 G 310 35.487 32.839 4.570 375 1H2 G 310 1H2 G 310 35.916 33.780 6.355 376 2H2 G 310 2H2 G 310 36.891 33.093 7.633 377 1H5* C 311 1H5* C 311 36.933 26.887 11.495 378 2H5* C 311 2H5* C 311 35.651 26.044 12.365 379 H4* C 311 H4* C 311 35.166 28.334 12.564 380 H3* C 311 H3* C 311 33.425 27.023 10.480 381 H2* C 311 H2* C 311 32.183 29.042 10.312 382 2HO* C 311 2HO* C 311 32.090 30.002 12.256 383 H1* C 311 H1* C 311 34.546 30.612 10.209 384 1H4 C 311 1H4 C 311 32.495 30.088 4.167 385 2H4 C 311 2H4 C 311 33.423 28.611 4.020 386 H5 C 311 H5 C 311 34.547 27.579 5.822 387 H6 C 311 H6 C 311 35.065 27.711 8.234 388 1H5* G 312 1H5* G 312 29.911 28.455 13.746 389 2H5* G 312 2H5* G 312 28.672 27.703 12.740 390 H4* G 312 H4* G 312 28.948 30.376 13.137 391 H3* G 312 H3* G 312 27.605 28.781 10.990 392 H2* G 312 H2* G 312 27.120 30.755 9.753 393 2HO* G 312 2HO* G 312 28.289 31.999 12.073 394 H1* G 312 H1* G 312 29.703 31.702 9.794 395 H8 G 312 H8 G 312 30.512 28.208 9.683 396 H1 G 312 H1 G 312 27.820 30.103 4.111 397 1H2 G 312 1H2 G 312 26.925 31.944 4.369 398 2H2 G 312 2H2 G 312 26.908 32.839 5.872 399 1H5* G 313 1H5* G 313 25.706 32.473 10.602 400 2H5* G 313 2H5* G 313 24.176 32.126 11.408 401 H4* G 313 H4* G 313 23.514 33.169 9.453 402 H3* G 313 H3* G 313 23.331 30.192 9.133 403 H2* G 313 H2* G 313 22.505 30.447 6.926 404 2HO* G 313 2HO* G 313 21.929 32.642 6.283 405 H1* G 313 H1* G 313 24.461 32.232 6.128 406 H8 G 313 H8 G 313 25.833 29.759 8.601 407 H1 G 313 H1 G 313 25.864 27.654 2.482 408 1H2 G 313 1H2 G 313 24.810 28.969 1.295 409 2H2 G 313 2H2 G 313 24.032 30.427 1.872 410 1H5* A 314 1H5* A 314 19.956 32.468 7.512 411 2H5* A 314 2H5* A 314 18.470 31.532 7.659 412 H4* A 314 H4* A 314 18.878 32.258 5.360 413 H3* A 314 H3* A 314 18.830 29.313 5.953 414 H2* A 314 H2* A 314 19.047 28.839 3.629 415 2HO* A 314 2HO* A 314 17.700 30.810 3.259 416 H1* A 314 H1* A 314 21.224 30.528 3.287 417 H8 A 314 H8 A 314 21.286 28.926 6.681 418 1H6 A 314 1H6 A 314 24.390 24.213 4.014 419 2H6 A 314 2H6 A 314 23.864 24.878 5.545 420 H2 A 314 H2 A 314 22.963 26.932 0.803 421 1H5* C 315 1H5* C 315 17.746 29.217 2.116 422 2H5* C 315 2H5* C 315 16.035 28.796 2.172 423 H4* C 315 H4* C 315 17.405 27.357 0.675 424 H3* C 315 H3* C 315 15.329 26.517 2.281 425 H2* C 315 H2* C 315 16.631 25.473 3.936 426 2HO* C 315 2HO* C 315 15.977 23.454 3.390 427 H1* C 315 H1* C 315 18.618 24.421 1.914 428 1H4 C 315 1H4 C 315 22.512 24.348 6.932 429 2H4 C 315 2H4 C 315 21.595 25.615 7.716 430 H5 C 315 H5 C 315 19.697 26.648 6.762 431 H6 C 315 H6 C 315 18.197 26.720 4.801 432 1H5* C 316 1H5* C 316 15.572 25.039 -2.979 433 2H5* C 316 2H5* C 316 17.008 24.636 -2.038 434 H4* C 316 H4* C 316 16.719 26.498 -4.369 435 H3* C 316 H3* C 316 18.361 24.091 -3.724 436 H2* C 316 H2* C 316 20.231 24.920 -4.909 437 2HO* C 316 2HO* C 316 18.128 26.537 -5.859 438 H1* C 316 H1* C 316 20.248 27.412 -3.774 439 1H4 C 316 1H4 C 316 23.625 23.800 0.284 440 2H4 C 316 2H4 C 316 22.151 23.462 1.163 441 H5 C 316 H5 C 316 20.006 24.146 0.449 442 H6 C 316 H6 C 316 18.735 25.335 -1.303 443 1H5* C 317 1H5* C 317 18.551 24.228 -7.835 444 2H5* C 317 2H5* C 317 18.110 22.729 -8.651 445 H4* C 317 H4* C 317 20.281 23.192 -9.379 446 H3* C 317 H3* C 317 20.273 21.087 -7.235 447 H2* C 317 H2* C 317 22.624 20.829 -7.474 448 2HO* C 317 2HO* C 317 22.351 21.168 -9.810 449 H1* C 317 H1* C 317 23.101 23.596 -7.384 450 1H4 C 317 1H4 C 317 24.032 21.621 -1.384 451 2H4 C 317 2H4 C 317 22.304 21.669 -1.112 452 H5 C 317 H5 C 317 20.719 22.131 -2.800 453 H6 C 317 H6 C 317 20.398 22.666 -5.190 454 1H5* G 318 1H5* G 318 22.196 19.290 -10.446 455 2H5* G 318 2H5* G 318 21.498 17.743 -10.922 456 H4* G 318 H4* G 318 23.805 17.372 -10.597 457 H3* G 318 H3* G 318 22.133 16.305 -8.334 458 H2* G 318 H2* G 318 24.079 15.353 -7.363 459 2HO* G 318 2HO* G 318 24.809 15.740 -10.000 460 H1* G 318 H1* G 318 25.594 17.691 -7.651 461 H8 G 318 H8 G 318 21.994 18.306 -6.715 462 H1 G 318 H1 G 318 25.926 17.342 -1.666 463 1H2 G 318 1H2 G 318 27.778 16.738 -2.341 464 2H2 G 318 2H2 G 318 28.203 16.524 -4.024 465 1H5* U 319 1H5* U 319 23.494 13.367 -9.223 466 2H5* U 319 2H5* U 319 22.899 11.710 -9.322 467 H4* U 319 H4* U 319 23.130 13.496 -7.021 468 H3* U 319 H3* U 319 23.039 10.528 -7.489 469 H2* U 319 H2* U 319 22.615 10.194 -5.163 470 2HO* U 319 2HO* U 319 22.907 13.060 -5.099 471 H1* U 319 H1* U 319 20.549 12.116 -5.164 472 H3 U 319 H3 U 319 17.812 8.605 -4.746 473 H5 U 319 H5 U 319 19.863 7.727 -8.290 474 H6 U 319 H6 U 319 21.185 9.757 -7.913 475 1H5* G 320 1H5* G 320 25.787 13.347 -6.316 476 2H5* G 320 2H5* G 320 26.533 14.452 -7.472 477 H4* G 320 H4* G 320 28.658 13.000 -7.147 478 H3* G 320 H3* G 320 26.922 11.836 -5.068 479 H2* G 320 H2* G 320 28.484 12.102 -3.305 480 2HO* G 320 2HO* G 320 30.466 11.816 -4.153 481 H1* G 320 H1* G 320 28.961 14.756 -3.718 482 H8 G 320 H8 G 320 25.541 14.636 -4.923 483 H1 G 320 H1 G 320 25.805 13.955 1.507 484 1H2 G 320 1H2 G 320 27.748 13.567 2.079 485 2H2 G 320 2H2 G 320 29.103 13.444 0.981 486 1H5* G 321 1H5* G 321 31.038 9.906 -4.157 487 2H5* G 321 2H5* G 321 30.491 8.242 -3.948 488 H4* G 321 H4* G 321 31.758 9.139 -2.015 489 H3* G 321 H3* G 321 28.960 8.114 -1.681 490 H2* G 321 H2* G 321 29.063 8.504 0.661 491 2HO* G 321 2HO* G 321 31.686 8.352 -0.057 492 H1* G 321 H1* G 321 30.138 11.108 0.284 493 H8 G 321 H8 G 321 27.430 10.921 -2.120 494 H1 G 321 H1 G 321 25.184 11.467 3.924 495 1H2 G 321 1H2 G 321 26.710 11.103 5.262 496 2H2 G 321 2H2 G 321 28.354 10.707 4.813 497 1H5* U 322 1H5* U 322 31.292 5.212 0.642 498 2H5* U 322 2H5* U 322 30.427 3.681 0.766 499 H4* U 322 H4* U 322 30.555 4.915 2.900 500 H3* U 322 H3* U 322 27.878 4.256 1.705 501 H2* U 322 H2* U 322 26.780 5.196 3.570 502 2HO* U 322 2HO* U 322 28.432 4.207 4.949 503 H1* U 322 H1* U 322 28.640 7.407 3.630 504 H3 U 322 H3 U 322 24.587 9.432 3.244 505 H5 U 322 H5 U 322 25.275 7.773 -0.540 506 H6 U 322 H6 U 322 27.239 6.657 0.417 507 1H5* G 323 1H5* G 323 27.493 1.692 5.344 508 2H5* G 323 2H5* G 323 27.006 0.132 4.683 509 H4* G 323 H4* G 323 25.289 0.695 6.151 510 H3* G 323 H3* G 323 24.499 1.360 3.322 511 H2* G 323 H2* G 323 22.319 1.934 4.098 512 2HO* G 323 2HO* G 323 21.707 1.070 6.032 513 H1* G 323 H1* G 323 23.338 3.539 6.174 514 H8 G 323 H8 G 323 25.345 3.982 3.061 515 H1 G 323 H1 G 323 19.944 7.546 3.172 516 1H2 G 323 1H2 G 323 18.762 6.956 4.756 517 2H2 G 323 2H2 G 323 19.173 5.684 5.884 518 1H5* G 324 1H5* G 324 20.896 -0.881 1.670 519 2H5* G 324 2H5* G 324 21.519 0.404 0.635 520 H4* G 324 H4* G 324 20.485 1.768 2.825 521 H3* G 324 H3* G 324 18.990 -0.755 2.535 522 H2* G 324 H2* G 324 16.883 0.247 2.222 523 2HO* G 324 2HO* G 324 17.267 1.837 3.832 524 H1* G 324 H1* G 324 17.564 2.007 0.290 525 H8 G 324 H8 G 324 20.136 -0.325 -0.584 526 H1 G 324 H1 G 324 14.298 -2.833 -1.817 527 1H2 G 324 1H2 G 324 12.853 -1.714 -0.861 528 2H2 G 324 2H2 G 324 13.174 -0.307 0.127 529 1H5* A 325 1H5* A 325 16.574 0.929 5.451 530 2H5* A 325 2H5* A 325 16.459 -0.170 6.825 531 H4* A 325 H4* A 325 14.258 0.207 6.022 532 H3* A 325 H3* A 325 15.354 -2.517 5.422 533 H2* A 325 H2* A 325 13.332 -3.153 4.369 534 2HO* A 325 2HO* A 325 11.553 -2.145 5.130 535 H1* A 325 H1* A 325 13.116 -0.887 2.802 536 H8 A 325 H8 A 325 16.744 -1.476 3.035 537 1H6 A 325 1H6 A 325 16.120 -5.772 -1.449 538 2H6 A 325 2H6 A 325 17.281 -4.839 -0.531 539 H2 A 325 H2 A 325 12.063 -4.639 -0.036 540 1H5* A 326 1H5* A 326 12.688 -4.479 8.813 541 2H5* A 326 2H5* A 326 13.472 -6.041 8.577 542 H4* A 326 H4* A 326 11.043 -5.518 7.656 543 H3* A 326 H3* A 326 13.175 -7.304 6.574 544 H2* A 326 H2* A 326 11.888 -7.797 4.629 545 2HO* A 326 2HO* A 326 9.910 -6.016 5.701 546 H1* A 326 H1* A 326 11.426 -5.134 4.015 547 H8 A 326 H8 A 326 14.752 -4.717 5.236 548 1H6 A 326 1H6 A 326 16.990 -7.489 0.111 549 2H6 A 326 2H6 A 326 17.422 -6.517 1.500 550 H2 A 326 H2 A 326 12.623 -8.277 0.323 551 1H5* C 327 1H5* C 327 9.788 -9.928 6.316 552 2H5* C 327 2H5* C 327 10.289 -11.516 6.894 553 H4* C 327 H4* C 327 9.511 -11.621 4.594 554 H3* C 327 H3* C 327 12.398 -12.250 5.131 555 H2* C 327 H2* C 327 12.714 -12.813 2.840 556 2HO* C 327 2HO* C 327 10.475 -13.681 2.874 557 H1* C 327 H1* C 327 11.567 -10.463 1.901 558 1H4 C 327 1H4 C 327 17.844 -9.293 2.500 559 2H4 C 327 2H4 C 327 17.504 -8.575 4.059 560 H5 C 327 H5 C 327 15.383 -8.631 5.099 561 H6 C 327 H6 C 327 13.044 -9.397 4.896 562 1H5* U 328 1H5* U 328 10.842 -15.643 2.921 563 2H5* U 328 2H5* U 328 11.379 -17.116 3.729 564 H4* U 328 H4* U 328 11.921 -17.091 1.332 565 H3* U 328 H3* U 328 14.141 -17.255 3.345 566 H2* U 328 H2* U 328 15.729 -17.498 1.584 567 2HO* U 328 2HO* U 328 14.945 -18.186 -0.364 568 H1* U 328 H1* U 328 14.790 -15.293 0.178 569 H3 U 328 H3 U 328 18.850 -14.636 2.441 570 H5 U 328 H5 U 328 15.804 -12.886 4.722 571 H6 U 328 H6 U 328 14.194 -14.028 3.268 572 1H5* G 329 1H5* G 329 15.064 -21.657 2.277 573 2H5* G 329 2H5* G 329 15.723 -21.985 3.880 574 H4* G 329 H4* G 329 17.292 -21.851 1.799 575 H3* G 329 H3* G 329 17.832 -20.781 4.553 576 H2* G 329 H2* G 329 19.988 -20.062 3.863 577 2HO* G 329 2HO* G 329 20.851 -21.076 2.101 578 H1* G 329 H1* G 329 18.938 -18.921 1.469 579 H8 G 329 H8 G 329 16.703 -17.789 4.099 580 H1 G 329 H1 G 329 22.379 -14.688 4.314 581 1H2 G 329 1H2 G 329 23.748 -15.672 3.125 582 2H2 G 329 2H2 G 329 23.406 -17.121 2.207 583 1H5* U 330 1H5* U 330 19.972 -20.808 5.570 584 2H5* U 330 2H5* U 330 20.710 -22.332 5.079 585 H4* U 330 H4* U 330 20.530 -21.671 7.995 586 H3* U 330 H3* U 330 22.330 -20.293 6.035 587 H2* U 330 H2* U 330 24.147 -20.414 7.563 588 2HO* U 330 2HO* U 330 22.880 -21.830 9.548 589 H1* U 330 H1* U 330 23.850 -23.114 8.064 590 H3 U 330 H3 U 330 27.350 -21.937 5.143 591 H5 U 330 H5 U 330 24.204 -23.496 2.860 592 H6 U 330 H6 U 330 22.801 -23.339 4.865 593 1H5* G 331 1H5* G 331 24.846 -18.567 7.994 594 2H5* G 331 2H5* G 331 24.706 -16.909 7.410 595 H4* G 331 H4* G 331 26.707 -18.001 6.550 596 H3* G 331 H3* G 331 24.594 -17.165 4.587 597 H2* G 331 H2* G 331 25.977 -17.847 2.785 598 2HO* G 331 2HO* G 331 28.013 -18.705 4.548 599 H1* G 331 H1* G 331 26.583 -20.326 3.894 600 H8 G 331 H8 G 331 23.061 -19.174 4.615 601 H1 G 331 H1 G 331 23.719 -22.410 -0.950 602 1H2 G 331 1H2 G 331 25.721 -22.720 -1.334 603 2H2 G 331 2H2 G 331 27.027 -22.183 -0.302 604 1H5* A 332 1H5* A 332 27.754 -13.546 4.119 605 2H5* A 332 2H5* A 332 27.141 -12.699 2.699 606 H4* A 332 H4* A 332 29.206 -14.249 2.483 607 H3* A 332 H3* A 332 26.904 -14.068 0.561 608 H2* A 332 H2* A 332 27.976 -15.636 -0.876 609 2HO* A 332 2HO* A 332 30.070 -15.387 1.087 610 H1* A 332 H1* A 332 28.467 -17.453 1.188 611 H8 A 332 H8 A 332 25.154 -15.762 1.637 612 1H6 A 332 1H6 A 332 22.750 -20.251 -1.972 613 2H6 A 332 2H6 A 332 22.350 -18.903 -0.932 614 H2 A 332 H2 A 332 27.178 -20.605 -2.076 615 1H5* A 333 1H5* A 333 27.869 -13.997 -2.007 616 2H5* A 333 2H5* A 333 28.008 -12.514 -2.950 617 H4* A 333 H4* A 333 26.462 -13.734 -4.152 618 H3* A 333 H3* A 333 25.050 -11.793 -2.359 619 H2* A 333 H2* A 333 22.934 -12.534 -3.154 620 2HO* A 333 2HO* A 333 24.254 -12.911 -5.260 621 H1* A 333 H1* A 333 23.447 -15.209 -2.724 622 H8 A 333 H8 A 333 25.266 -13.238 -0.125 623 1H6 A 333 1H6 A 333 19.983 -13.335 3.197 624 2H6 A 333 2H6 A 333 21.682 -12.922 3.248 625 H2 A 333 H2 A 333 19.104 -14.921 -0.860 626 1H5* G 334 1H5* G 334 23.127 -12.050 -6.657 627 2H5* G 334 2H5* G 334 21.940 -10.748 -6.602 628 H4* G 334 H4* G 334 21.301 -13.357 -6.603 629 H3* G 334 H3* G 334 19.849 -10.975 -5.512 630 H2* G 334 H2* G 334 18.129 -12.371 -4.643 631 2HO* G 334 2HO* G 334 17.936 -13.977 -6.121 632 H1* G 334 H1* G 334 19.857 -14.079 -3.335 633 H8 G 334 H8 G 334 21.760 -11.078 -2.875 634 H1 G 334 H1 G 334 16.263 -10.823 0.530 635 1H2 G 334 1H2 G 334 14.978 -12.296 -0.126 636 2H2 G 334 2H2 G 334 15.336 -13.431 -1.407 637 1H5* U 335 1H5* U 335 16.677 -13.217 -7.469 638 2H5* U 335 2H5* U 335 15.597 -12.015 -8.172 639 H4* U 335 H4* U 335 14.569 -13.531 -6.457 640 H3* U 335 H3* U 335 14.435 -10.538 -6.233 641 H2* U 335 H2* U 335 13.074 -10.732 -4.300 642 2HO* U 335 2HO* U 335 13.186 -13.526 -4.993 643 H1* U 335 H1* U 335 14.722 -12.600 -3.059 644 H3 U 335 H3 U 335 15.008 -8.396 -1.089 645 H5 U 335 H5 U 335 18.143 -8.656 -3.853 646 H6 U 335 H6 U 335 17.097 -10.707 -4.698 647 1H5* U 336 1H5* U 336 10.110 -11.528 -6.735 648 2H5* U 336 2H5* U 336 9.362 -10.114 -7.478 649 H4* U 336 H4* U 336 8.517 -10.558 -5.215 650 H3* U 336 H3* U 336 9.916 -7.962 -5.782 651 H2* U 336 H2* U 336 9.485 -7.217 -3.576 652 2HO* U 336 2HO* U 336 7.751 -9.451 -3.803 653 H1* U 336 H1* U 336 10.307 -9.625 -2.391 654 H3 U 336 H3 U 336 13.426 -6.455 -1.301 655 H5 U 336 H5 U 336 14.525 -7.796 -5.113 656 H6 U 336 H6 U 336 12.402 -9.021 -5.185 657 1H5* C 337 1H5* C 337 7.135 -6.721 -3.177 658 2H5* C 337 2H5* C 337 5.882 -6.041 -4.214 659 H4* C 337 H4* C 337 5.967 -4.375 -2.695 660 H3* C 337 H3* C 337 8.089 -3.705 -4.701 661 H2* C 337 H2* C 337 8.742 -1.801 -3.448 662 2HO* C 337 2HO* C 337 6.863 -2.290 -1.415 663 H1* C 337 H1* C 337 8.905 -3.142 -1.030 664 1H4 C 337 1H4 C 337 14.807 -3.848 -3.310 665 2H4 C 337 2H4 C 337 14.225 -4.966 -4.525 666 H5 C 337 H5 C 337 11.947 -5.505 -4.832 667 H6 C 337 H6 C 337 9.642 -5.104 -4.041 668 1H5* G 338 1H5* G 338 6.797 0.175 -3.642 669 2H5* G 338 2H5* G 338 6.640 1.008 -5.188 670 H4* G 338 H4* G 338 8.278 2.093 -3.745 671 H3* G 338 H3* G 338 9.245 0.879 -6.318 672 H2* G 338 H2* G 338 11.429 1.632 -5.897 673 2HO* G 338 2HO* G 338 10.670 3.002 -3.552 674 H1* G 338 H1* G 338 11.133 1.040 -3.061 675 H8 G 338 H8 G 338 10.511 -1.876 -5.270 676 H1 G 338 H1 G 338 16.792 -0.929 -4.038 677 1H2 G 338 1H2 G 338 17.048 0.907 -3.133 678 2H2 G 338 2H2 G 338 15.752 2.022 -2.763 679 1H5* G 339 1H5* G 339 11.728 3.656 -6.383 680 2H5* G 339 2H5* G 339 11.730 4.401 -7.981 681 H4* G 339 H4* G 339 13.808 3.103 -7.267 682 H3* G 339 H3* G 339 12.429 2.853 -9.907 683 H2* G 339 H2* G 339 13.413 0.839 -10.291 684 2HO* G 339 2HO* G 339 15.432 1.387 -10.877 685 H1* G 339 H1* G 339 14.823 1.132 -7.594 686 H8 G 339 H8 G 339 15.559 -1.141 -6.835 687 H1 G 339 H1 G 339 11.277 -4.177 -10.621 688 1H2 G 339 1H2 G 339 10.115 -2.784 -11.602 689 2H2 G 339 2H2 G 339 10.277 -1.051 -11.425 690 1H5* A 340 1H5* A 340 14.552 6.603 -8.572 691 2H5* A 340 2H5* A 340 15.518 6.859 -7.119 692 H4* A 340 H4* A 340 12.896 7.502 -7.368 693 H3* A 340 H3* A 340 14.605 6.952 -4.967 694 H2* A 340 H2* A 340 12.713 7.197 -3.535 695 2HO* A 340 2HO* A 340 11.761 8.864 -4.774 696 H1* A 340 H1* A 340 11.156 5.444 -5.097 697 H8 A 340 H8 A 340 14.315 3.718 -5.062 698 1H6 A 340 1H6 A 340 13.216 1.938 0.819 699 2H6 A 340 2H6 A 340 14.231 1.663 -0.580 700 H2 A 340 H2 A 340 10.312 5.132 -0.233 701 1H5* A 341 1H5* A 341 11.991 10.394 -3.547 702 2H5* A 341 2H5* A 341 13.182 11.279 -2.596 703 H4* A 341 H4* A 341 11.133 10.462 -1.365 704 H3* A 341 H3* A 341 13.931 9.871 -0.418 705 H2* A 341 H2* A 341 13.039 8.892 1.547 706 2HO* A 341 2HO* A 341 10.380 9.188 1.056 707 H1* A 341 H1* A 341 11.117 7.390 0.172 708 H8 A 341 H8 A 341 14.319 7.489 -1.749 709 1H6 A 341 1H6 A 341 16.135 2.570 1.635 710 2H6 A 341 2H6 A 341 16.540 3.571 0.258 711 H2 A 341 H2 A 341 12.367 4.146 3.384 712 1H5* C 342 1H5* C 342 12.254 11.521 2.449 713 2H5* C 342 2H5* C 342 12.764 12.989 3.283 714 H4* C 342 H4* C 342 12.586 11.315 4.932 715 H3* C 342 H3* C 342 15.405 11.999 4.206 716 H2* C 342 H2* C 342 16.253 10.422 5.775 717 2HO* C 342 2HO* C 342 14.916 10.034 7.447 718 H1* C 342 H1* C 342 14.703 8.331 4.848 719 1H4 C 342 1H4 C 342 20.125 8.247 1.412 720 2H4 C 342 2H4 C 342 19.246 9.049 0.129 721 H5 C 342 H5 C 342 17.042 9.865 0.355 722 H6 C 342 H6 C 342 15.118 10.115 1.883 723 1H5* A 343 1H5* A 343 15.462 11.781 8.236 724 2H5* A 343 2H5* A 343 16.197 13.189 9.005 725 H4* A 343 H4* A 343 17.328 11.213 9.751 726 H3* A 343 H3* A 343 18.913 13.008 7.937 727 H2* A 343 H2* A 343 20.816 11.613 8.194 728 2HO* A 343 2HO* A 343 19.084 10.343 10.111 729 H1* A 343 H1* A 343 19.437 9.256 7.679 730 H8 A 343 H8 A 343 18.005 11.975 5.565 731 1H6 A 343 1H6 A 343 22.503 10.712 1.427 732 2H6 A 343 2H6 A 343 21.025 11.613 1.684 733 H2 A 343 H2 A 343 23.379 8.469 5.161 734 1H5* C 344 1H5* C 344 21.366 13.132 11.666 735 2H5* C 344 2H5* C 344 22.049 14.756 11.738 736 H4* C 344 H4* C 344 23.811 13.106 11.636 737 H3* C 344 H3* C 344 23.509 14.926 9.268 738 H2* C 344 H2* C 344 25.449 13.968 8.272 739 2HO* C 344 2HO* C 344 25.947 13.585 10.802 740 H1* C 344 H1* C 344 24.543 11.343 8.683 741 1H4 C 344 1H4 C 344 22.713 12.660 2.717 742 2H4 C 344 2H4 C 344 21.372 13.598 3.335 743 H5 C 344 H5 C 344 21.021 14.038 5.629 744 H6 C 344 H6 C 344 21.879 13.682 7.917 745 1H5* C 345 1H5* C 345 27.888 15.886 10.517 746 2H5* C 345 2H5* C 345 28.209 17.250 9.447 747 H4* C 345 H4* C 345 29.358 14.930 9.056 748 H3* C 345 H3* C 345 28.278 16.789 6.947 749 H2* C 345 H2* C 345 29.151 15.341 5.271 750 2HO* C 345 2HO* C 345 30.122 13.384 6.941 751 H1* C 345 H1* C 345 28.076 13.046 6.514 752 1H4 C 345 1H4 C 345 23.995 14.768 1.872 753 2H4 C 345 2H4 C 345 23.070 15.623 3.086 754 H5 C 345 H5 C 345 23.783 15.913 5.319 755 H6 C 345 H6 C 345 25.575 15.448 6.953 756 1H5* C 346 1H5* C 346 31.341 15.759 5.444 757 2H5* C 346 2H5* C 346 32.598 16.942 5.080 758 H4* C 346 H4* C 346 32.232 15.837 3.060 759 H3* C 346 H3* C 346 30.693 18.439 3.056 760 H2* C 346 H2* C 346 30.196 18.068 0.783 761 2HO* C 346 2HO* C 346 32.136 15.957 1.074 762 H1* C 346 H1* C 346 29.821 15.239 1.257 763 1H4 C 346 1H4 C 346 24.044 17.740 0.021 764 2H4 C 346 2H4 C 346 23.857 18.004 1.740 765 H5 C 346 H5 C 346 25.576 17.654 3.321 766 H6 C 346 H6 C 346 27.923 16.956 3.644 767 1H5* G 347 1H5* G 347 34.431 19.033 0.514 768 2H5* G 347 2H5* G 347 34.832 20.744 0.362 769 H4* G 347 H4* G 347 34.430 19.707 -1.810 770 H3* G 347 H3* G 347 32.641 21.923 -0.895 771 H2* G 347 H2* G 347 31.395 21.831 -2.920 772 2HO* G 347 2HO* G 347 33.568 20.075 -3.528 773 H1* G 347 H1* G 347 31.097 19.032 -2.767 774 H8 G 347 H8 G 347 30.528 20.017 0.658 775 H1 G 347 H1 G 347 25.593 21.814 -3.126 776 1H2 G 347 1H2 G 347 26.157 21.673 -5.105 777 2H2 G 347 2H2 G 347 27.731 21.147 -5.657 778 1H5* G 348 1H5* G 348 34.288 24.350 -4.331 779 2H5* G 348 2H5* G 348 33.812 25.961 -3.795 780 H4* G 348 H4* G 348 32.506 24.676 -5.697 781 H3* G 348 H3* G 348 31.334 26.463 -3.565 782 H2* G 348 H2* G 348 29.230 26.274 -4.649 783 2HO* G 348 2HO* G 348 29.566 26.190 -6.792 784 H1* G 348 H1* G 348 29.556 23.458 -4.976 785 H8 G 348 H8 G 348 30.454 23.950 -1.529 786 H1 G 348 H1 G 348 24.094 24.790 -2.385 787 1H2 G 348 1H2 G 348 23.690 24.990 -4.397 788 2H2 G 348 2H2 G 348 24.896 24.937 -5.664 789 1H5* C 349 1H5* C 349 28.689 27.935 -6.223 790 2H5* C 349 2H5* C 349 29.163 29.633 -6.258 791 H4* C 349 H4* C 349 26.895 29.524 -5.553 792 H3* C 349 H3* C 349 28.837 30.233 -3.371 793 H2* C 349 H2* C 349 27.068 30.481 -1.835 794 2HO* C 349 2HO* C 349 25.474 30.220 -4.220 795 H1* C 349 H1* C 349 25.725 28.153 -2.907 796 1H4 C 349 1H4 C 349 27.820 26.486 2.907 797 2H4 C 349 2H4 C 349 29.367 26.087 2.194 798 H5 C 349 H5 C 349 29.925 26.512 -0.061 799 H6 C 349 H6 C 349 29.127 27.432 -2.210 800 1H5* C 350 1H5* C 350 26.815 34.288 -4.028 801 2H5* C 350 2H5* C 350 27.893 35.477 -3.296 802 H4* C 350 H4* C 350 25.679 35.026 -2.128 803 H3* C 350 H3* C 350 28.342 35.041 -0.744 804 H2* C 350 H2* C 350 27.297 34.634 1.340 805 2HO* C 350 2HO* C 350 25.100 35.384 -0.292 806 H1* C 350 H1* C 350 25.587 32.642 0.189 807 1H4 C 350 1H4 C 350 29.999 29.437 3.532 808 2H4 C 350 2H4 C 350 31.071 29.534 2.152 809 H5 C 350 H5 C 350 30.589 30.765 0.196 810 H6 C 350 H6 C 350 28.943 32.222 -0.930 811 1H5* G 351 1H5* G 351 26.649 38.448 1.453 812 2H5* G 351 2H5* G 351 27.783 39.765 1.156 813 H4* G 351 H4* G 351 27.677 39.557 3.486 814 H3* G 351 H3* G 351 30.166 38.353 2.340 815 H2* G 351 H2* G 351 30.925 37.733 4.505 816 2HO* G 351 2HO* G 351 30.241 39.159 5.988 817 H1* G 351 H1* G 351 28.482 36.561 5.218 818 H8 G 351 H8 G 351 29.586 36.035 1.634 819 H1 G 351 H1 G 351 31.663 31.519 5.778 820 1H2 G 351 1H2 G 351 31.198 32.087 7.705 821 2H2 G 351 2H2 G 351 30.370 33.566 8.134 822 1H5* C 352 1H5* C 352 31.380 40.923 5.297 823 2H5* C 352 2H5* C 352 32.927 41.741 5.080 824 H4* C 352 H4* C 352 32.949 40.198 6.981 825 H3* C 352 H3* C 352 34.806 39.684 4.677 826 H2* C 352 H2* C 352 35.742 37.835 5.802 827 2HO* C 352 2HO* C 352 34.177 38.897 7.975 828 H1* C 352 H1* C 352 33.150 36.975 6.724 829 1H4 C 352 1H4 C 352 34.786 32.740 2.234 830 2H4 C 352 2H4 C 352 34.349 33.899 0.999 831 H5 C 352 H5 C 352 33.699 36.123 1.453 832 H6 C 352 H6 C 352 33.305 37.800 3.222 833 1H5* A 353 1H5* A 353 37.222 41.944 7.989 834 2H5* A 353 2H5* A 353 38.288 43.128 7.233 835 H4* A 353 H4* A 353 39.661 41.649 8.465 836 H3* A 353 H3* A 353 39.805 41.295 5.500 837 H2* A 353 H2* A 353 41.375 39.525 5.718 838 2HO* A 353 2HO* A 353 41.613 39.216 8.344 839 H1* A 353 H1* A 353 39.879 38.133 7.596 840 H8 A 353 H8 A 353 38.308 40.095 4.697 841 1H6 A 353 1H6 A 353 37.547 34.519 1.999 842 2H6 A 353 2H6 A 353 37.243 36.233 1.822 843 H2 A 353 H2 A 353 39.680 33.919 5.851 844 1H5* A 354 1H5* A 354 43.741 40.882 7.005 845 2H5* A 354 2H5* A 354 44.869 41.687 5.915 846 H4* A 354 H4* A 354 45.468 39.365 6.151 847 H3* A 354 H3* A 354 44.455 40.215 3.452 848 H2* A 354 H2* A 354 44.901 38.047 2.594 849 2HO* A 354 2HO* A 354 45.850 36.633 4.542 850 H1* A 354 H1* A 354 43.662 36.747 4.753 851 H8 A 354 H8 A 354 41.744 39.798 3.772 852 1H6 A 354 1H6 A 354 38.809 36.224 -0.419 853 2H6 A 354 2H6 A 354 38.814 37.796 0.348 854 H2 A 354 H2 A 354 42.189 33.889 1.276 855 1H5* C 355 1H5* C 355 48.497 38.738 2.218 856 2H5* C 355 2H5* C 355 48.982 39.939 1.022 857 H4* C 355 H4* C 355 48.915 37.696 0.071 858 H3* C 355 H3* C 355 46.971 39.727 -1.006 859 H2* C 355 H2* C 355 46.298 38.173 -2.670 860 2HO* C 355 2HO* C 355 48.578 37.477 -2.801 861 H1* C 355 H1* C 355 46.116 36.061 -0.774 862 1H4 C 355 1H4 C 355 40.101 37.986 -1.770 863 2H4 C 355 2H4 C 355 40.335 39.251 -0.583 864 H5 C 355 H5 C 355 42.408 39.720 0.445 865 H6 C 355 H6 C 355 44.790 39.087 0.591 866 1H5* C 356 1H5* C 356 49.820 38.564 -3.948 867 2H5* C 356 2H5* C 356 50.065 39.559 -5.382 868 H4* C 356 H4* C 356 49.064 37.426 -5.962 869 H3* C 356 H3* C 356 47.359 39.875 -6.383 870 H2* C 356 H2* C 356 45.749 38.517 -7.485 871 2HO* C 356 2HO* C 356 46.566 36.739 -8.448 872 H1* C 356 H1* C 356 45.840 36.544 -5.463 873 1H4 C 356 1H4 C 356 40.691 40.033 -4.034 874 2H4 C 356 2H4 C 356 41.723 41.259 -3.335 875 H5 C 356 H5 C 356 44.082 41.191 -3.406 876 H6 C 356 H6 C 356 46.052 39.916 -4.175 877 1H5* C 357 1H5* C 357 48.001 37.819 -9.569 878 2H5* C 357 2H5* C 357 49.055 38.246 -10.916 879 H4* C 357 H4* C 357 47.370 37.329 -12.107 880 H3* C 357 H3* C 357 46.644 40.206 -11.762 881 H2* C 357 H2* C 357 44.538 39.887 -12.795 882 2HO* C 357 2HO* C 357 44.200 37.744 -13.788 883 H1* C 357 H1* C 357 43.807 37.705 -11.297 884 1H4 C 357 1H4 C 357 41.908 42.742 -7.841 885 2H4 C 357 2H4 C 357 43.454 42.724 -7.023 886 H5 C 357 H5 C 357 45.245 41.307 -7.625 887 H6 C 357 H6 C 357 46.001 39.542 -9.176 888 1H5* U 358 1H5* U 358 44.559 39.479 -15.106 889 2H5* U 358 2H5* U 358 45.366 40.417 -16.362 890 H4* U 358 H4* U 358 43.154 41.087 -16.526 891 H3* U 358 H3* U 358 44.671 43.091 -14.863 892 H2* U 358 H2* U 358 42.733 44.463 -14.812 893 2HO* U 358 2HO* U 358 41.750 44.260 -16.743 894 H1* U 358 H1* U 358 41.046 42.276 -14.188 895 H3 U 358 H3 U 358 40.763 44.603 -10.339 896 H5 U 358 H5 U 358 44.734 43.272 -10.366 897 H6 U 358 H6 U 358 44.325 42.405 -12.622 898 1H5* G 359 1H5* G 359 42.905 44.629 -18.331 899 2H5* G 359 2H5* G 359 43.654 45.964 -19.207 900 H4* G 359 H4* G 359 41.409 46.577 -18.691 901 H3* G 359 H3* G 359 43.513 48.035 -17.128 902 H2* G 359 H2* G 359 41.857 49.334 -16.040 903 2HO* G 359 2HO* G 359 39.717 48.072 -17.331 904 H1* G 359 H1* G 359 40.229 47.064 -15.525 905 H8 G 359 H8 G 359 43.761 46.261 -14.757 906 H1 G 359 H1 G 359 40.851 49.594 -10.034 907 1H2 G 359 1H2 G 359 39.043 50.316 -10.714 908 2H2 G 359 2H2 G 359 38.410 50.058 -12.324 909 1H5* G 360 1H5* G 360 41.267 50.353 -19.596 910 2H5* G 360 2H5* G 360 41.753 51.684 -20.645 911 H4* G 360 H4* G 360 40.289 52.738 -19.234 912 H3* G 360 H3* G 360 43.041 53.057 -18.049 913 H2* G 360 H2* G 360 42.114 54.445 -16.355 914 2HO* G 360 2HO* G 360 40.639 55.356 -17.962 915 H1* G 360 H1* G 360 40.006 52.635 -15.847 916 H8 G 360 H8 G 360 43.240 50.845 -16.365 917 H1 G 360 H1 G 360 42.461 53.071 -10.338 918 1H2 G 360 1H2 G 360 40.824 54.325 -10.274 919 2H2 G 360 2H2 G 360 39.814 54.714 -11.647 920 1H5* G 361 1H5* G 361 41.709 56.790 -19.989 921 2H5* G 361 2H5* G 361 42.910 57.894 -20.658 922 H4* G 361 H4* G 361 41.896 59.062 -18.897 923 H3* G 361 H3* G 361 44.609 58.017 -18.180 924 H2* G 361 H2* G 361 44.457 58.981 -16.009 925 2HO* G 361 2HO* G 361 42.253 60.156 -15.724 926 H1* G 361 H1* G 361 41.918 57.897 -15.531 927 H8 G 361 H8 G 361 44.092 55.488 -17.397 928 H1 G 361 H1 G 361 45.000 55.385 -10.990 929 1H2 G 361 1H2 G 361 44.002 56.969 -10.127 930 2H2 G 361 2H2 G 361 43.059 58.151 -11.008 931 1H5* A 362 1H5* A 362 44.224 62.246 -18.083 932 2H5* A 362 2H5* A 362 45.520 63.324 -18.601 933 H4* A 362 H4* A 362 44.922 63.993 -16.420 934 H3* A 362 H3* A 362 47.518 62.498 -16.539 935 H2* A 362 H2* A 362 47.827 62.772 -14.203 936 2HO* A 362 2HO* A 362 46.859 64.949 -14.451 937 H1* A 362 H1* A 362 45.287 61.916 -13.515 938 H8 A 362 H8 A 362 46.216 59.926 -16.486 939 1H6 A 362 1H6 A 362 49.391 56.146 -12.669 940 2H6 A 362 2H6 A 362 48.784 56.329 -14.299 941 H2 A 362 H2 A 362 48.216 59.766 -10.378 942 1H5* G 363 1H5* G 363 48.434 65.708 -13.533 943 2H5* G 363 2H5* G 363 50.178 65.813 -13.773 944 H4* G 363 H4* G 363 49.017 64.735 -11.597 945 H3* G 363 H3* G 363 51.690 64.219 -12.860 946 H2* G 363 H2* G 363 52.159 62.539 -11.259 947 2HO* G 363 2HO* G 363 51.118 63.883 -9.616 948 H1* G 363 H1* G 363 49.726 61.244 -11.521 949 H8 G 363 H8 G 363 50.423 62.436 -14.920 950 H1 G 363 H1 G 363 54.047 57.315 -13.334 951 1H2 G 363 1H2 G 363 53.914 56.977 -11.304 952 2H2 G 363 2H2 G 363 52.960 57.940 -10.197 953 1H5* A 364 1H5* A 364 53.422 64.263 -10.169 954 2H5* A 364 2H5* A 364 54.480 65.603 -9.725 955 H4* A 364 H4* A 364 55.109 63.043 -10.981 956 H3* A 364 H3* A 364 56.123 64.077 -8.827 957 H2* A 364 H2* A 364 56.705 66.233 -9.678 958 2HO* A 364 2HO* A 364 58.564 65.703 -8.681 959 H1* A 364 H1* A 364 58.126 64.817 -11.983 960 H8 A 364 H8 A 364 55.711 66.784 -13.520 961 1H6 A 364 1H6 A 364 59.303 71.870 -13.106 962 2H6 A 364 2H6 A 364 57.897 71.189 -13.891 963 H2 A 364 H2 A 364 60.936 68.788 -10.353 964 1H5* G 365 1H5* G 365 57.534 59.495 -8.247 965 2H5* G 365 2H5* G 365 55.840 59.500 -7.759 966 H4* G 365 H4* G 365 58.256 60.383 -6.202 967 H3* G 365 H3* G 365 56.502 58.096 -6.071 968 H2* G 365 H2* G 365 55.094 59.045 -4.502 969 2HO* G 365 2HO* G 365 56.618 57.561 -3.472 970 H1* G 365 H1* G 365 57.428 60.910 -3.793 971 H8 G 365 H8 G 365 53.614 60.732 -4.155 972 H1 G 365 H1 G 365 55.810 65.066 0.121 973 1H2 G 365 1H2 G 365 57.871 65.087 0.083 974 2H2 G 365 2H2 G 365 58.858 64.080 -0.952 975 1H5* G 366 1H5* G 366 59.002 55.118 -7.567 976 2H5* G 366 2H5* G 366 57.304 55.068 -8.041 977 H4* G 366 H4* G 366 57.615 53.042 -6.966 978 H3* G 366 H3* G 366 56.023 54.921 -5.536 979 H2* G 366 H2* G 366 57.354 54.905 -3.625 980 2HO* G 366 2HO* G 366 56.017 52.355 -3.719 981 H1* G 366 H1* G 366 58.187 52.067 -4.450 982 H8 G 366 H8 G 366 61.228 53.514 -4.288 983 H1 G 366 H1 G 366 59.166 52.945 1.821 984 1H2 G 366 1H2 G 366 57.125 52.653 1.834 985 2H2 G 366 2H2 G 366 56.121 52.575 0.404 986 1H5* U 367 1H5* U 367 54.322 54.681 -4.427 987 2H5* U 367 2H5* U 367 52.901 53.654 -4.604 988 H4* U 367 H4* U 367 52.764 56.232 -3.931 989 H3* U 367 H3* U 367 50.817 54.518 -5.435 990 H2* U 367 H2* U 367 49.364 56.371 -5.736 991 2HO* U 367 2HO* U 367 51.299 57.663 -4.038 992 H1* U 367 H1* U 367 51.337 58.079 -6.660 993 H3 U 367 H3 U 367 49.436 57.123 -10.614 994 H5 U 367 H5 U 367 51.130 53.463 -9.486 995 H6 U 367 H6 U 367 51.743 54.515 -7.358 996 1H5* C 368 1H5* C 368 48.768 56.535 -2.954 997 2H5* C 368 2H5* C 368 47.550 55.820 -1.897 998 H4* C 368 H4* C 368 46.463 57.454 -3.227 999 H3* C 368 H3* C 368 45.842 54.635 -4.109 1000 H2* C 368 H2* C 368 44.223 55.507 -5.604 1001 2HO* C 368 2HO* C 368 44.866 57.996 -4.301 1002 H1* C 368 H1* C 368 45.964 57.569 -6.492 1003 1H4 C 368 1H4 C 368 46.279 53.153 -11.087 1004 2H4 C 368 2H4 C 368 47.340 52.191 -10.084 1005 H5 C 368 H5 C 368 47.901 52.740 -7.856 1006 H6 C 368 H6 C 368 47.576 54.364 -6.024 1007 1H5* C 369 1H5* C 369 42.727 56.549 -2.562 1008 2H5* C 369 2H5* C 369 41.457 56.002 -1.466 1009 H4* C 369 H4* C 369 40.200 56.480 -3.299 1010 H3* C 369 H3* C 369 41.044 53.608 -3.629 1011 H2* C 369 H2* C 369 39.754 53.482 -5.619 1012 2HO* C 369 2HO* C 369 38.868 56.082 -5.669 1013 H1* C 369 H1* C 369 40.760 55.912 -6.620 1014 1H4 C 369 1H4 C 369 44.594 51.720 -9.474 1015 2H4 C 369 2H4 C 369 45.178 51.151 -7.927 1016 H5 C 369 H5 C 369 44.386 51.944 -5.849 1017 H6 C 369 H6 C 369 42.822 53.495 -4.732 1018 1H5* C 370 1H5* C 370 37.076 54.169 -3.370 1019 2H5* C 370 2H5* C 370 35.813 53.076 -2.804 1020 H4* C 370 H4* C 370 35.472 53.281 -5.113 1021 H3* C 370 H3* C 370 36.878 50.692 -4.464 1022 H2* C 370 H2* C 370 36.631 50.042 -6.733 1023 2HO* C 370 2HO* C 370 35.015 51.033 -7.892 1024 H1* C 370 H1* C 370 37.463 52.593 -7.671 1025 1H4 C 370 1H4 C 370 42.697 49.025 -8.337 1026 2H4 C 370 2H4 C 370 42.892 48.962 -6.599 1027 H5 C 370 H5 C 370 41.353 49.892 -5.068 1028 H6 C 370 H6 C 370 39.227 51.125 -4.826 1029 1H5* A 371 1H5* A 371 32.383 49.406 -5.370 1030 2H5* A 371 2H5* A 371 32.291 47.745 -4.787 1031 H4* A 371 H4* A 371 31.831 48.098 -7.241 1032 H3* A 371 H3* A 371 33.838 46.109 -6.223 1033 H2* A 371 H2* A 371 34.236 45.359 -8.448 1034 2HO* A 371 2HO* A 371 32.387 45.520 -9.577 1035 H1* A 371 H1* A 371 34.621 47.927 -9.449 1036 H8 A 371 H8 A 371 36.075 48.004 -6.071 1037 1H6 A 371 1H6 A 371 41.187 45.315 -8.433 1038 2H6 A 371 2H6 A 371 40.530 46.116 -7.024 1039 H2 A 371 H2 A 371 37.976 45.131 -11.499 1040 1H5* G 372 1H5* G 372 31.135 43.852 -9.074 1041 2H5* G 372 2H5* G 372 30.721 42.423 -8.126 1042 H4* G 372 H4* G 372 31.457 41.730 -10.297 1043 H3* G 372 H3* G 372 33.279 41.075 -8.013 1044 H2* G 372 H2* G 372 34.798 39.977 -9.476 1045 2HO* G 372 2HO* G 372 32.983 39.176 -10.741 1046 H1* G 372 H1* G 372 34.798 42.121 -11.308 1047 H8 G 372 H8 G 372 34.879 43.548 -7.903 1048 H1 G 372 H1 G 372 40.661 41.378 -9.838 1049 1H2 G 372 1H2 G 372 40.437 40.254 -11.553 1050 2H2 G 372 2H2 G 372 38.910 39.947 -12.348 1051 1H5* G 373 1H5* G 373 32.043 37.651 -9.853 1052 2H5* G 373 2H5* G 373 31.593 36.164 -9.021 1053 H4* G 373 H4* G 373 33.501 35.743 -10.410 1054 H3* G 373 H3* G 373 34.031 35.697 -7.449 1055 H2* G 373 H2* G 373 36.258 34.988 -7.866 1056 2HO* G 373 2HO* G 373 36.568 33.912 -9.749 1057 H1* G 373 H1* G 373 36.718 36.936 -9.819 1058 H8 G 373 H8 G 373 34.687 38.594 -7.240 1059 H1 G 373 H1 G 373 40.871 37.924 -5.455 1060 1H2 G 373 1H2 G 373 41.826 36.636 -6.751 1061 2H2 G 373 2H2 G 373 41.065 35.853 -8.118 1062 1H5* G 374 1H5* G 374 35.285 32.237 -9.362 1063 2H5* G 374 2H5* G 374 34.917 30.707 -8.567 1064 H4* G 374 H4* G 374 37.216 30.647 -9.063 1065 H3* G 374 H3* G 374 36.636 31.139 -6.168 1066 H2* G 374 H2* G 374 38.957 31.229 -5.660 1067 2HO* G 374 2HO* G 374 39.197 30.553 -8.452 1068 H1* G 374 H1* G 374 39.499 33.003 -7.783 1069 H8 G 374 H8 G 374 36.326 33.997 -6.135 1070 H1 G 374 H1 G 374 41.581 36.020 -2.945 1071 1H2 G 374 1H2 G 374 43.255 35.104 -3.725 1072 2H2 G 374 2H2 G 374 43.238 33.959 -5.048 1073 1H5* U 375 1H5* U 375 39.435 28.537 -6.087 1074 2H5* U 375 2H5* U 375 39.144 26.985 -5.300 1075 H4* U 375 H4* U 375 41.037 27.722 -4.222 1076 H3* U 375 H3* U 375 38.642 28.496 -2.586 1077 H2* U 375 H2* U 375 40.038 29.475 -0.950 1078 2HO* U 375 2HO* U 375 41.820 28.247 -0.764 1079 H1* U 375 H1* U 375 41.692 30.691 -2.958 1080 H3 U 375 H3 U 375 40.176 34.333 -0.751 1081 H5 U 375 H5 U 375 36.759 32.851 -2.667 1082 H6 U 375 H6 U 375 38.101 30.915 -3.348 1083 1H5* U 376 1H5* U 376 41.416 26.072 -0.013 1084 2H5* U 376 2H5* U 376 40.456 25.236 1.207 1085 H4* U 376 H4* U 376 42.189 26.638 2.208 1086 H3* U 376 H3* U 376 39.312 27.272 2.769 1087 H2* U 376 H2* U 376 39.954 29.025 4.238 1088 2HO* U 376 2HO* U 376 41.784 28.403 5.238 1089 H1* U 376 H1* U 376 41.837 30.045 2.372 1090 H3 U 376 H3 U 376 38.604 33.246 2.928 1091 H5 U 376 H5 U 376 37.004 30.541 0.161 1092 H6 U 376 H6 U 376 38.906 29.073 0.645 1093 2H ALA 1 HN ALA 1 62.423 15.314 -27.730 1094 HA ALA 1 HA ALA 1 61.527 13.142 -26.680 1095 1HB ALA 1 1HB ALA 1 61.166 12.637 -29.386 1096 2HB ALA 1 2HB ALA 1 62.649 11.730 -29.007 1097 3HB ALA 1 3HB ALA 1 61.155 11.415 -28.092 1098 H THR 2 HN THR 2 63.265 14.242 -25.452 1099 HA THR 2 HA THR 2 65.864 13.025 -26.095 1100 HB THR 2 HB THR 2 66.901 15.197 -25.352 1101 HG1 THR 2 HG1 THR 2 65.472 16.763 -24.614 1102 1HG2 THR 2 1HG2 THR 2 64.813 15.392 -27.582 1103 2HG2 THR 2 2HG2 THR 2 65.992 16.679 -27.236 1104 3HG2 THR 2 3HG2 THR 2 66.554 15.076 -27.769 1105 H VAL 3 HN VAL 3 67.200 14.069 -23.798 1106 HA VAL 3 HA VAL 3 65.655 12.736 -21.682 1107 HB VAL 3 HB VAL 3 67.782 11.898 -20.818 1108 1HG1 VAL 3 1HG1 VAL 3 66.423 11.021 -23.154 1109 2HG1 VAL 3 2HG1 VAL 3 68.162 10.761 -23.428 1110 3HG1 VAL 3 3HG1 VAL 3 67.371 10.053 -21.999 1111 1HG2 VAL 3 1HG2 VAL 3 69.658 12.003 -22.767 1112 2HG2 VAL 3 2HG2 VAL 3 68.883 13.589 -22.995 1113 3HG2 VAL 3 3HG2 VAL 3 69.573 13.154 -21.413 1114 H VAL 4 HN VAL 4 68.013 15.274 -22.633 1115 HA VAL 4 HA VAL 4 68.562 17.199 -21.697 1116 HB VAL 4 HB VAL 4 65.912 16.782 -20.308 1117 1HG1 VAL 4 1HG1 VAL 4 65.947 19.111 -19.664 1118 2HG1 VAL 4 2HG1 VAL 4 67.399 18.313 -19.015 1119 3HG1 VAL 4 3HG1 VAL 4 67.523 19.350 -20.456 1120 1HG2 VAL 4 1HG2 VAL 4 66.743 17.743 -22.947 1121 2HG2 VAL 4 2HG2 VAL 4 65.143 17.225 -22.367 1122 3HG2 VAL 4 3HG2 VAL 4 65.693 18.894 -22.088 1123 H SER 5 HN SER 5 70.333 17.294 -20.426 1124 HA SER 5 HA SER 5 70.213 15.787 -17.941 1125 1HB SER 5 2HB SER 5 72.054 15.520 -19.857 1126 2HB SER 5 3HB SER 5 72.775 16.912 -19.074 1127 HG SER 5 HG SER 5 72.908 15.739 -17.101 1128 H GLY 6 HN GLY 6 71.126 16.788 -15.967 1129 1HA GLY 6 1HA GLY 6 72.010 19.440 -15.827 1130 2HA GLY 6 2HA GLY 6 70.274 19.440 -15.584 1131 H GLN 7 HN GLN 7 71.398 20.315 -13.411 1132 HA GLN 7 HA GLN 7 71.498 17.983 -11.668 1133 1HB GLN 7 2HB GLN 7 73.375 20.354 -11.773 1134 2HB GLN 7 3HB GLN 7 73.103 19.535 -10.248 1135 1HG GLN 7 2HG GLN 7 74.628 17.979 -10.874 1136 2HG GLN 7 3HG GLN 7 73.510 17.443 -12.113 1137 1HE2 GLN 7 1HE2 GLN 7 74.498 17.219 -13.960 1138 2HE2 GLN 7 2HE2 GLN 7 75.659 18.289 -14.672 1139 H LYS 8 HN LYS 8 70.995 18.606 -9.303 1140 HA LYS 8 HA LYS 8 69.803 21.044 -8.691 1141 1HB LYS 8 2HB LYS 8 67.438 20.505 -8.717 1142 2HB LYS 8 3HB LYS 8 68.100 20.401 -10.335 1143 1HG LYS 8 2HG LYS 8 68.436 17.806 -9.199 1144 2HG LYS 8 3HG LYS 8 66.824 18.318 -8.741 1145 1HD LYS 8 2HD LYS 8 66.510 17.284 -10.858 1146 2HD LYS 8 3HD LYS 8 66.496 18.998 -11.224 1147 1HE LYS 8 2HE LYS 8 69.224 17.858 -11.273 1148 2HE LYS 8 3HE LYS 8 68.152 17.074 -12.417 1149 1HZ LYS 8 1HZ LYS 8 68.630 19.966 -12.216 1150 2HZ LYS 8 2HZ LYS 8 69.157 18.978 -13.403 1151 3HZ LYS 8 3HZ LYS 8 67.561 19.275 -13.238 1152 H GLN 9 HN GLN 9 68.043 20.407 -6.696 1153 HA GLN 9 HA GLN 9 69.387 18.314 -5.194 1154 1HB GLN 9 2HB GLN 9 69.491 19.742 -3.192 1155 2HB GLN 9 3HB GLN 9 70.391 20.471 -4.507 1156 1HG GLN 9 2HG GLN 9 68.070 21.688 -5.023 1157 2HG GLN 9 3HG GLN 9 67.725 21.303 -3.348 1158 1HE2 GLN 9 1HE2 GLN 9 69.919 22.946 -5.542 1159 2HE2 GLN 9 2HE2 GLN 9 70.594 24.071 -4.411 1160 H ASP 10 HN ASP 10 68.063 17.676 -3.184 1161 HA ASP 10 HA ASP 10 65.251 17.913 -3.904 1162 1HB ASP 10 2HB ASP 10 64.908 15.742 -3.032 1163 2HB ASP 10 3HB ASP 10 66.460 15.613 -3.834 1164 H ARG 11 HN ARG 11 63.782 17.604 -1.792 1165 HA ARG 11 HA ARG 11 65.081 19.015 0.398 1166 1HB ARG 11 2HB ARG 11 62.710 19.757 -1.181 1167 2HB ARG 11 3HB ARG 11 62.320 19.648 0.524 1168 1HG ARG 11 2HG ARG 11 63.584 21.486 1.068 1169 2HG ARG 11 3HG ARG 11 64.891 21.031 -0.007 1170 1HD ARG 11 2HD ARG 11 63.745 21.947 -1.943 1171 2HD ARG 11 3HD ARG 11 62.244 22.127 -1.056 1172 HE ARG 11 HE ARG 11 63.918 23.684 0.434 1173 1HH1 ARG 11 2HH2 ARG 11 63.387 23.511 -3.040 1174 2HH1 ARG 11 1HH2 ARG 11 63.782 25.175 -3.312 1175 1HH2 ARG 11 2HH1 ARG 11 64.439 25.880 0.076 1176 2HH2 ARG 11 1HH1 ARG 11 64.385 26.532 -1.528 1177 H GLN 12 HN GLN 12 62.028 17.225 -0.490 1178 HA GLN 12 HA GLN 12 62.491 15.131 1.229 1179 1HB GLN 12 2HB GLN 12 60.945 15.591 3.091 1180 2HB GLN 12 3HB GLN 12 62.229 16.783 3.052 1181 1HG GLN 12 2HG GLN 12 60.293 17.939 1.405 1182 2HG GLN 12 3HG GLN 12 59.319 17.136 2.622 1183 1HE2 GLN 12 1HE2 GLN 12 58.923 18.195 4.404 1184 2HE2 GLN 12 2HE2 GLN 12 59.832 19.509 5.071 1185 H GLY 13 HN GLY 13 60.372 13.792 1.563 1186 1HA GLY 13 1HA GLY 13 58.490 14.390 -0.641 1187 2HA GLY 13 2HA GLY 13 59.157 12.791 -0.377 1188 H GLY 14 HN GLY 14 57.269 11.671 0.166 1189 1HA GLY 14 1HA GLY 14 56.415 11.366 2.672 1190 2HA GLY 14 2HA GLY 14 55.487 12.771 2.183 1191 H GLU 15 HN GLU 15 54.164 10.401 2.860 1192 HA GLU 15 HA GLU 15 52.790 9.933 0.422 1193 1HB GLU 15 2HB GLU 15 54.621 8.282 0.188 1194 2HB GLU 15 3HB GLU 15 54.243 7.608 1.762 1195 1HG GLU 15 2HG GLU 15 51.895 7.755 -0.047 1196 2HG GLU 15 3HG GLU 15 53.182 6.737 -0.662 1197 H ARG 16 HN ARG 16 53.369 8.508 3.723 1198 HA ARG 16 HA ARG 16 50.780 7.711 4.115 1199 1HB ARG 16 2HB ARG 16 51.382 7.668 6.541 1200 2HB ARG 16 3HB ARG 16 52.658 6.987 5.552 1201 1HG ARG 16 2HG ARG 16 53.684 9.394 5.555 1202 2HG ARG 16 3HG ARG 16 52.576 9.727 6.872 1203 1HD ARG 16 2HD ARG 16 54.251 8.912 8.207 1204 2HD ARG 16 3HD ARG 16 53.656 7.337 7.723 1205 HE ARG 16 HE ARG 16 55.618 8.531 5.873 1206 1HH1 ARG 16 2HH2 ARG 16 55.109 6.422 8.644 1207 2HH1 ARG 16 1HH2 ARG 16 56.610 5.581 8.441 1208 1HH2 ARG 16 2HH1 ARG 16 57.598 7.423 5.606 1209 2HH2 ARG 16 1HH1 ARG 16 58.036 6.155 6.702 1210 H ARG 17 HN ARG 17 49.840 8.835 6.529 1211 HA ARG 17 HA ARG 17 48.317 10.860 5.735 1212 1HB ARG 17 2HB ARG 17 49.395 10.030 8.427 1213 2HB ARG 17 3HB ARG 17 48.534 11.554 8.349 1214 1HG ARG 17 2HG ARG 17 46.614 10.350 8.513 1215 2HG ARG 17 3HG ARG 17 46.894 9.837 6.861 1216 1HD ARG 17 2HD ARG 17 47.069 7.705 7.623 1217 2HD ARG 17 3HD ARG 17 48.573 8.158 8.400 1218 HE ARG 17 HE ARG 17 46.145 8.843 9.926 1219 1HH1 ARG 17 2HH2 ARG 17 48.677 6.466 9.359 1220 2HH1 ARG 17 1HH2 ARG 17 48.469 5.691 10.894 1221 1HH2 ARG 17 2HH1 ARG 17 45.872 7.820 11.952 1222 2HH2 ARG 17 1HH1 ARG 17 46.863 6.467 12.379 1223 H ARG 18 HN ARG 18 48.345 13.246 6.701 1224 HA ARG 18 HA ARG 18 50.603 14.472 5.608 1225 1HB ARG 18 2HB ARG 18 48.500 15.725 7.442 1226 2HB ARG 18 3HB ARG 18 49.524 16.579 6.306 1227 1HG ARG 18 2HG ARG 18 48.226 16.007 4.499 1228 2HG ARG 18 3HG ARG 18 47.967 14.371 5.071 1229 1HD ARG 18 2HD ARG 18 46.389 15.411 6.858 1230 2HD ARG 18 3HD ARG 18 46.480 16.891 5.924 1231 HE ARG 18 HE ARG 18 45.073 15.929 4.326 1232 1HH1 ARG 18 2HH2 ARG 18 46.510 13.367 6.264 1233 2HH1 ARG 18 1HH2 ARG 18 45.561 12.111 5.539 1234 1HH2 ARG 18 2HH1 ARG 18 43.821 14.273 3.369 1235 2HH2 ARG 18 1HH1 ARG 18 44.021 12.631 3.881 1236 H SER 19 HN SER 19 51.964 12.955 7.256 1237 HA SER 19 HA SER 19 53.075 12.704 9.147 1238 1HB SER 19 2HB SER 19 54.532 14.194 7.905 1239 2HB SER 19 3HB SER 19 53.618 15.605 8.400 1240 HG SER 19 HG SER 19 55.534 15.421 9.668 1241 H GLN 20 HN GLN 20 51.625 16.041 9.393 1242 HA GLN 20 HA GLN 20 49.959 15.412 11.482 1243 1HB GLN 20 2HB GLN 20 52.745 16.110 12.300 1244 2HB GLN 20 3HB GLN 20 51.475 16.948 13.168 1245 1HG GLN 20 2HG GLN 20 50.544 14.300 13.069 1246 2HG GLN 20 3HG GLN 20 52.271 14.108 13.296 1247 1HE2 GLN 20 1HE2 GLN 20 49.408 14.413 14.837 1248 2HE2 GLN 20 2HE2 GLN 20 49.905 15.040 16.374 1249 H LEU 21 HN LEU 21 49.418 16.780 9.267 1250 HA LEU 21 HA LEU 21 50.012 19.464 9.145 1251 1HB LEU 21 2HB LEU 21 48.575 17.694 7.674 1252 2HB LEU 21 3HB LEU 21 47.282 18.659 8.357 1253 HG LEU 21 HG LEU 21 49.545 19.564 6.574 1254 1HD1 LEU 21 1HD1 LEU 21 46.533 19.526 6.332 1255 2HD1 LEU 21 2HD1 LEU 21 47.584 20.473 5.251 1256 3HD1 LEU 21 3HD1 LEU 21 47.740 18.701 5.316 1257 1HD2 LEU 21 1HD2 LEU 21 49.362 21.200 8.378 1258 2HD2 LEU 21 2HD2 LEU 21 48.764 21.868 6.841 1259 3HD2 LEU 21 3HD2 LEU 21 47.611 21.339 8.089 1260 H ASP 22 HN ASP 22 50.040 20.559 11.112 1261 HA ASP 22 HA ASP 22 47.851 20.327 12.884 1262 1HB ASP 22 2HB ASP 22 50.450 21.098 13.160 1263 2HB ASP 22 3HB ASP 22 49.714 22.681 13.018 1264 H ARG 23 HN ARG 23 46.482 22.271 13.536 1265 HA ARG 23 HA ARG 23 45.385 23.463 11.284 1266 1HB ARG 23 2HB ARG 23 45.100 24.092 14.261 1267 2HB ARG 23 3HB ARG 23 44.119 24.864 13.032 1268 1HG ARG 23 2HG ARG 23 44.289 21.841 13.440 1269 2HG ARG 23 3HG ARG 23 43.019 22.852 14.100 1270 1HD ARG 23 2HD ARG 23 43.388 23.342 11.221 1271 2HD ARG 23 3HD ARG 23 43.051 21.652 11.543 1272 HE ARG 23 HE ARG 23 41.237 23.212 13.098 1273 1HH1 ARG 23 2HH2 ARG 23 41.902 22.464 9.725 1274 2HH1 ARG 23 1HH2 ARG 23 40.264 22.699 9.217 1275 1HH2 ARG 23 2HH1 ARG 23 39.074 23.523 12.428 1276 2HH2 ARG 23 1HH1 ARG 23 38.645 23.306 10.764 1277 H ASP 24 HN ASP 24 48.291 24.128 12.849 1278 HA ASP 24 HA ASP 24 48.166 26.901 11.958 1279 1HB ASP 24 2HB ASP 24 49.840 25.801 14.263 1280 2HB ASP 24 3HB ASP 24 49.759 27.477 13.763 1281 H GLN 25 HN GLN 25 48.983 24.320 10.597 1282 HA GLN 25 HA GLN 25 51.830 24.886 10.309 1283 1HB GLN 25 2HB GLN 25 50.438 22.418 10.783 1284 2HB GLN 25 3HB GLN 25 51.115 22.331 9.168 1285 1HG GLN 25 2HG GLN 25 53.358 22.887 10.020 1286 2HG GLN 25 3HG GLN 25 52.720 23.173 11.627 1287 1HE2 GLN 25 1HE2 GLN 25 54.574 21.154 10.147 1288 2HE2 GLN 25 2HE2 GLN 25 54.130 19.615 10.809 1289 H CYS 26 HN CYS 26 52.438 23.709 7.910 1290 HA CYS 26 HA CYS 26 50.657 25.130 6.067 1291 1HB CYS 26 2HB CYS 26 52.899 26.140 6.224 1292 2HB CYS 26 3HB CYS 26 53.636 24.609 5.798 1293 H ALA 27 HN ALA 27 49.885 23.965 4.260 1294 HA ALA 27 HA ALA 27 50.439 21.095 4.356 1295 1HB ALA 27 1HB ALA 27 48.282 22.421 2.710 1296 2HB ALA 27 2HB ALA 27 48.309 20.794 3.433 1297 3HB ALA 27 3HB ALA 27 48.074 22.225 4.468 1298 H TYR 28 HN TYR 28 52.311 23.188 3.251 1299 HA TYR 28 HA TYR 28 52.389 22.133 0.507 1300 1HB TYR 28 2HB TYR 28 51.687 24.632 0.926 1301 2HB TYR 28 3HB TYR 28 53.306 24.879 1.549 1302 HD1 TYR 28 HD1 TYR 28 51.347 25.356 -1.242 1303 HD2 TYR 28 HD2 TYR 28 55.194 23.821 -0.172 1304 HE1 TYR 28 HE1 TYR 28 52.191 25.808 -3.598 1305 HE2 TYR 28 HE2 TYR 28 56.025 24.277 -2.531 1306 HH TYR 28 HH TYR 28 54.695 24.440 -4.906 1307 H CYS 29 HN CYS 29 54.357 23.887 3.018 1308 HA CYS 29 HA CYS 29 56.652 22.347 2.086 1309 1HB CYS 29 2HB CYS 29 58.007 24.009 3.336 1310 2HB CYS 29 3HB CYS 29 57.033 24.729 2.070 1311 H LYS 30 HN LYS 30 54.321 22.803 4.681 1312 HA LYS 30 HA LYS 30 53.899 21.385 6.374 1313 1HB LYS 30 2HB LYS 30 56.680 20.218 6.117 1314 2HB LYS 30 3HB LYS 30 55.306 19.538 6.963 1315 1HG LYS 30 2HG LYS 30 54.894 20.158 4.056 1316 2HG LYS 30 3HG LYS 30 55.987 18.837 4.417 1317 1HD LYS 30 2HD LYS 30 54.278 17.462 5.024 1318 2HD LYS 30 3HD LYS 30 53.584 18.671 6.087 1319 1HE LYS 30 2HE LYS 30 52.019 19.281 4.543 1320 2HE LYS 30 3HE LYS 30 53.210 19.398 3.262 1321 1HZ LYS 30 1HZ LYS 30 51.590 17.141 4.039 1322 2HZ LYS 30 2HZ LYS 30 52.066 17.619 2.552 1323 3HZ LYS 30 3HZ LYS 30 53.099 16.802 3.517 1324 H GLU 31 HN GLU 31 55.344 24.088 6.185 1325 HA GLU 31 HA GLU 31 56.983 24.090 8.512 1326 1HB GLU 31 2HB GLU 31 55.991 26.192 6.573 1327 2HB GLU 31 3HB GLU 31 56.739 26.687 8.079 1328 1HG GLU 31 2HG GLU 31 58.787 25.431 7.540 1329 2HG GLU 31 3HG GLU 31 58.040 24.751 6.108 1330 H LYS 32 HN LYS 32 56.488 25.827 10.296 1331 HA LYS 32 HA LYS 32 53.616 25.692 10.907 1332 1HB LYS 32 2HB LYS 32 54.163 25.373 13.238 1333 2HB LYS 32 3HB LYS 32 54.923 24.117 12.281 1334 1HG LYS 32 2HG LYS 32 56.807 26.254 12.364 1335 2HG LYS 32 3HG LYS 32 56.169 26.130 13.991 1336 1HD LYS 32 2HD LYS 32 56.658 23.665 13.981 1337 2HD LYS 32 3HD LYS 32 57.326 23.813 12.367 1338 1HE LYS 32 2HE LYS 32 59.322 24.188 13.407 1339 2HE LYS 32 3HE LYS 32 58.714 25.800 13.723 1340 1HZ LYS 32 1HZ LYS 32 59.441 24.726 15.729 1341 2HZ LYS 32 2HZ LYS 32 57.832 24.995 15.807 1342 3HZ LYS 32 3HZ LYS 32 58.395 23.491 15.513 1343 H GLY 33 HN GLY 33 52.626 27.618 11.267 1344 1HA GLY 33 1HA GLY 33 52.963 29.764 12.520 1345 2HA GLY 33 2HA GLY 33 54.390 29.977 11.526 1346 H HIS 34 HN HIS 34 53.506 29.041 9.004 1347 HA HIS 34 HA HIS 34 51.414 31.013 8.437 1348 1HB HIS 34 2HB HIS 34 52.429 31.426 6.336 1349 2HB HIS 34 3HB HIS 34 53.696 31.503 7.543 1350 HD1 HIS 34 HD1 HIS 34 55.660 29.890 7.310 1351 HD2 HIS 34 HD2 HIS 34 52.501 29.033 4.687 1352 HE1 HIS 34 HE1 HIS 34 56.533 28.119 5.695 1353 H TRP 35 HN TRP 35 49.910 30.465 6.648 1354 HA TRP 35 HA TRP 35 49.294 27.620 6.757 1355 1HB TRP 35 2HB TRP 35 47.778 30.121 6.355 1356 2HB TRP 35 3HB TRP 35 47.258 28.767 5.373 1357 HD1 TRP 35 HD1 TRP 35 48.234 29.024 9.167 1358 HE1 TRP 35 HE1 TRP 35 46.431 27.808 10.659 1359 HE3 TRP 35 HE3 TRP 35 45.233 27.613 5.312 1360 HZ2 TRP 35 HZ2 TRP 35 44.006 26.422 10.074 1361 HZ3 TRP 35 HZ3 TRP 35 43.166 26.331 5.860 1362 HH2 TRP 35 HH2 TRP 35 42.535 25.735 8.145 1363 H ALA 36 HN ALA 36 48.447 26.677 4.579 1364 HA ALA 36 HA ALA 36 50.519 26.695 2.743 1365 1HB ALA 36 1HB ALA 36 47.663 25.740 2.785 1366 2HB ALA 36 2HB ALA 36 48.581 25.677 1.260 1367 3HB ALA 36 3HB ALA 36 49.172 24.800 2.693 1368 H LYS 37 HN LYS 37 47.367 28.466 2.770 1369 HA LYS 37 HA LYS 37 47.821 29.671 0.249 1370 1HB LYS 37 2HB LYS 37 45.871 30.107 2.506 1371 2HB LYS 37 3HB LYS 37 45.936 31.217 1.153 1372 1HG LYS 37 2HG LYS 37 44.263 29.473 0.705 1373 2HG LYS 37 3HG LYS 37 45.586 29.321 -0.434 1374 1HD LYS 37 2HD LYS 37 46.524 27.435 0.738 1375 2HD LYS 37 3HD LYS 37 45.541 27.728 2.160 1376 1HE LYS 37 2HE LYS 37 43.958 26.334 1.329 1377 2HE LYS 37 3HE LYS 37 43.701 27.442 -0.004 1378 1HZ LYS 37 1HZ LYS 37 45.463 26.347 -1.195 1379 2HZ LYS 37 2HZ LYS 37 45.749 25.335 0.055 1380 3HZ LYS 37 3HZ LYS 37 44.333 25.253 -0.754 1381 H ASP 38 HN ASP 38 49.453 29.994 3.154 1382 HA ASP 38 HA ASP 38 50.052 32.782 2.539 1383 1HB ASP 38 2HB ASP 38 49.426 31.422 5.037 1384 2HB ASP 38 3HB ASP 38 51.044 32.087 5.134 1385 H CYS 39 HN CYS 39 51.099 29.729 1.977 1386 HA CYS 39 HA CYS 39 53.661 29.581 3.022 1387 1HB CYS 39 2HB CYS 39 52.342 27.723 1.927 1388 2HB CYS 39 3HB CYS 39 52.747 28.422 0.373 1389 HA PRO 40 HA PRO 40 55.606 32.647 0.585 1390 1HB PRO 40 2HB PRO 40 58.206 32.164 1.278 1391 2HB PRO 40 3HB PRO 40 57.114 33.123 2.258 1392 1HG PRO 40 2HG PRO 40 58.065 30.359 2.706 1393 2HG PRO 40 3HG PRO 40 57.339 31.469 3.851 1394 1HD PRO 40 2HD PRO 40 56.062 29.237 2.580 1395 2HD PRO 40 3HD PRO 40 55.307 30.415 3.634 1396 H LYS 41 HN LYS 41 55.516 29.479 -0.080 1397 HA LYS 41 HA LYS 41 57.042 29.946 -2.544 1398 1HB LYS 41 2HB LYS 41 58.077 27.879 -2.434 1399 2HB LYS 41 3HB LYS 41 58.128 28.408 -0.765 1400 1HG LYS 41 2HG LYS 41 55.704 27.137 -0.762 1401 2HG LYS 41 3HG LYS 41 56.513 26.217 -2.015 1402 1HD LYS 41 2HD LYS 41 56.894 25.168 0.185 1403 2HD LYS 41 3HD LYS 41 58.410 25.747 -0.477 1404 1HE LYS 41 2HE LYS 41 57.443 27.965 0.954 1405 2HE LYS 41 3HE LYS 41 56.985 26.606 1.962 1406 1HZ LYS 41 1HZ LYS 41 59.524 26.065 1.143 1407 2HZ LYS 41 2HZ LYS 41 59.549 27.661 1.487 1408 3HZ LYS 41 3HZ LYS 41 59.072 26.589 2.622 1409 H LYS 42 HN LYS 42 54.147 30.331 -1.783 1410 HA LYS 42 HA LYS 42 52.841 28.148 -3.155 1411 1HB LYS 42 2HB LYS 42 52.094 29.740 -1.076 1412 2HB LYS 42 3HB LYS 42 51.310 30.571 -2.405 1413 1HG LYS 42 2HG LYS 42 50.526 28.145 -3.125 1414 2HG LYS 42 3HG LYS 42 50.916 27.712 -1.472 1415 1HD LYS 42 2HD LYS 42 48.663 28.321 -1.261 1416 2HD LYS 42 3HD LYS 42 49.460 29.822 -0.830 1417 1HE LYS 42 2HE LYS 42 48.497 30.898 -2.582 1418 2HE LYS 42 3HE LYS 42 49.151 29.731 -3.714 1419 1HZ LYS 42 1HZ LYS 42 46.938 28.781 -2.161 1420 2HZ LYS 42 2HZ LYS 42 46.572 30.002 -3.182 1421 3HZ LYS 42 3HZ LYS 42 47.234 28.626 -3.761 1422 HA PRO 43 HA PRO 43 53.323 30.298 -6.933 1423 1HB PRO 43 2HB PRO 43 52.447 28.290 -8.567 1424 2HB PRO 43 3HB PRO 43 54.106 28.426 -8.020 1425 1HG PRO 43 2HG PRO 43 52.003 26.556 -7.115 1426 2HG PRO 43 3HG PRO 43 53.739 26.440 -6.905 1427 1HD PRO 43 2HD PRO 43 51.819 27.215 -4.920 1428 2HD PRO 43 3HD PRO 43 53.563 27.211 -4.746 1429 H ARG 44 HN ARG 44 51.989 30.945 -8.866 1430 HA ARG 44 HA ARG 44 49.265 31.158 -7.865 1431 1HB ARG 44 2HB ARG 44 51.145 33.147 -8.884 1432 2HB ARG 44 3HB ARG 44 49.715 33.126 -9.895 1433 1HG ARG 44 2HG ARG 44 48.941 32.963 -7.085 1434 2HG ARG 44 3HG ARG 44 50.004 34.335 -7.330 1435 1HD ARG 44 2HD ARG 44 48.465 35.472 -8.615 1436 2HD ARG 44 3HD ARG 44 47.924 34.023 -9.439 1437 HE ARG 44 HE ARG 44 47.134 34.200 -6.603 1438 1HH1 ARG 44 2HH2 ARG 44 46.232 34.829 -9.946 1439 2HH1 ARG 44 1HH2 ARG 44 44.534 34.898 -9.610 1440 1HH2 ARG 44 2HH1 ARG 44 44.894 34.292 -6.158 1441 2HH2 ARG 44 1HH1 ARG 44 43.768 34.590 -7.439 1442 H GLY 45 HN GLY 45 48.183 29.485 -8.939 1443 1HA GLY 45 1HA GLY 45 47.644 29.764 -11.704 1444 2HA GLY 45 2HA GLY 45 48.805 28.475 -11.454 1445 HA PRO 46 HA PRO 46 47.619 27.744 -13.034 1446 1HB PRO 46 2HB PRO 46 45.597 26.918 -14.677 1447 2HB PRO 46 3HB PRO 46 46.766 25.820 -13.968 1448 1HG PRO 46 2HG PRO 46 43.941 26.258 -13.217 1449 2HG PRO 46 3HG PRO 46 44.983 24.904 -12.827 1450 1HD PRO 46 2HD PRO 46 44.228 27.047 -11.078 1451 2HD PRO 46 3HD PRO 46 45.361 25.758 -10.726 1452 H ARG 47 HN ARG 47 46.675 28.659 -15.366 1453 HA ARG 47 HA ARG 47 45.488 31.168 -14.484 1454 1HB ARG 47 2HB ARG 47 46.711 32.248 -16.387 1455 2HB ARG 47 3HB ARG 47 47.812 31.497 -15.249 1456 1HG ARG 47 2HG ARG 47 48.530 29.937 -16.769 1457 2HG ARG 47 3HG ARG 47 46.917 29.655 -17.393 1458 1HD ARG 47 2HD ARG 47 47.034 31.741 -18.735 1459 2HD ARG 47 3HD ARG 47 48.607 32.115 -18.058 1460 HE ARG 47 HE ARG 47 48.434 29.480 -19.366 1461 1HH1 ARG 47 2HH2 ARG 47 49.219 32.889 -19.741 1462 2HH1 ARG 47 1HH2 ARG 47 50.213 32.638 -21.137 1463 1HH2 ARG 47 2HH1 ARG 47 49.744 29.147 -21.208 1464 2HH2 ARG 47 1HH1 ARG 47 50.514 30.495 -21.978 1465 H GLY 48 HN GLY 48 43.510 29.564 -14.918 1466 1HA GLY 48 1HA GLY 48 41.665 29.209 -16.153 1467 2HA GLY 48 2HA GLY 48 42.232 30.421 -17.284 1468 HA PRO 49 HA PRO 49 43.065 26.002 -18.760 1469 1HB PRO 49 2HB PRO 49 40.656 24.807 -19.244 1470 2HB PRO 49 3HB PRO 49 41.609 24.494 -17.808 1471 1HG PRO 49 2HG PRO 49 39.152 26.115 -18.086 1472 2HG PRO 49 3HG PRO 49 39.868 25.446 -16.632 1473 1HD PRO 49 2HD PRO 49 39.982 28.177 -17.501 1474 2HD PRO 49 3HD PRO 49 40.795 27.485 -16.111 1475 H ARG 50 HN ARG 50 42.799 25.060 -20.968 1476 HA ARG 50 HA ARG 50 42.224 27.321 -22.655 1477 1HB ARG 50 2HB ARG 50 43.397 26.031 -24.413 1478 2HB ARG 50 3HB ARG 50 44.369 26.078 -22.954 1479 1HG ARG 50 2HG ARG 50 44.500 23.808 -23.288 1480 2HG ARG 50 3HG ARG 50 42.961 23.801 -22.450 1481 1HD ARG 50 2HD ARG 50 41.757 23.324 -24.366 1482 2HD ARG 50 3HD ARG 50 42.783 24.310 -25.389 1483 HE ARG 50 HE ARG 50 44.066 21.866 -24.355 1484 1HH1 ARG 50 2HH2 ARG 50 42.249 23.332 -26.988 1485 2HH1 ARG 50 1HH2 ARG 50 42.737 22.149 -28.155 1486 1HH2 ARG 50 2HH1 ARG 50 44.710 20.304 -25.895 1487 2HH2 ARG 50 1HH1 ARG 50 44.146 20.414 -27.528 1488 HA PRO 51 HA PRO 51 38.519 25.532 -24.107 1489 1HB PRO 51 2HB PRO 51 38.208 26.816 -26.498 1490 2HB PRO 51 3HB PRO 51 37.789 27.542 -24.960 1491 1HG PRO 51 2HG PRO 51 40.122 28.086 -26.691 1492 2HG PRO 51 3HG PRO 51 39.463 29.067 -25.397 1493 1HD PRO 51 2HD PRO 51 41.813 27.425 -25.281 1494 2HD PRO 51 3HD PRO 51 41.088 28.315 -23.955 1495 H GLN 52 HN GLN 52 37.427 24.213 -25.784 1496 HA GLN 52 HA GLN 52 39.426 22.963 -27.472 1497 1HB GLN 52 2HB GLN 52 38.669 20.711 -26.846 1498 2HB GLN 52 3HB GLN 52 39.245 21.566 -25.430 1499 1HG GLN 52 2HG GLN 52 37.121 21.755 -24.497 1500 2HG GLN 52 3HG GLN 52 36.323 21.852 -26.054 1501 1HE2 GLN 52 1HE2 GLN 52 34.928 20.263 -26.163 1502 2HE2 GLN 52 2HE2 GLN 52 35.219 18.591 -25.821 1503 H THR 53 HN THR 53 38.236 21.366 -29.083 1504 HA THR 53 HA THR 53 35.505 22.183 -29.636 1505 HB THR 53 HB THR 53 37.921 22.838 -31.381 1506 HG1 THR 53 HG1 THR 53 35.485 24.144 -30.387 1507 1HG2 THR 53 1HG2 THR 53 35.903 21.673 -32.639 1508 2HG2 THR 53 2HG2 THR 53 35.029 23.175 -32.256 1509 3HG2 THR 53 3HG2 THR 53 36.504 23.232 -33.251 1510 H SER 54 HN SER 54 34.351 20.717 -30.938 1511 HA SER 54 HA SER 54 35.792 18.482 -31.985 1512 1HB SER 54 2HB SER 54 35.116 18.173 -29.393 1513 2HB SER 54 3HB SER 54 33.574 17.730 -30.097 1514 HG SER 54 HG SER 54 35.764 16.531 -31.373 1515 H LEU 55 HN LEU 55 34.058 16.847 -32.974 1516 HA LEU 55 HA LEU 55 31.569 18.167 -33.637 1517 1HB LEU 55 2HB LEU 55 33.584 18.783 -35.250 1518 2HB LEU 55 3HB LEU 55 33.189 17.227 -35.956 1519 HG LEU 55 HG LEU 55 30.717 18.266 -35.903 1520 1HD1 LEU 55 1HD1 LEU 55 32.394 20.731 -36.395 1521 2HD1 LEU 55 2HD1 LEU 55 30.624 20.595 -36.267 1522 3HD1 LEU 55 3HD1 LEU 55 31.640 20.371 -34.823 1523 1HD2 LEU 55 1HD2 LEU 55 30.874 18.307 -38.160 1524 2HD2 LEU 55 2HD2 LEU 55 32.368 19.276 -38.156 1525 3HD2 LEU 55 3HD2 LEU 55 32.439 17.528 -37.824 1526 H LEU 56 HN LEU 56 30.130 16.635 -34.923 1527 HA LEU 56 HA LEU 56 30.863 13.859 -34.309 1528 1HB LEU 56 2HB LEU 56 29.323 14.511 -32.632 1529 2HB LEU 56 3HB LEU 56 28.275 15.308 -33.788 1530 HG LEU 56 HG LEU 56 28.442 12.616 -34.632 1531 1HD1 LEU 56 1HD1 LEU 56 29.311 11.913 -32.515 1532 2HD1 LEU 56 2HD1 LEU 56 28.079 12.850 -31.636 1533 3HD1 LEU 56 3HD1 LEU 56 27.599 11.433 -32.598 1534 1HD2 LEU 56 1HD2 LEU 56 26.109 12.636 -34.408 1535 2HD2 LEU 56 2HD2 LEU 56 26.154 13.801 -33.064 1536 3HD2 LEU 56 3HD2 LEU 56 26.545 14.333 -34.716
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