NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 H 4.7632 8.4449 117.3748 54.7742 29.4738 172.8022 2 M 4.4574 8.2680 120.1240 54.6775 34.0494 174.1768 *348 E 4.3175 8.8787 119.8846 56.5437 32.7505 177.3560 349 Q 3.9546 8.1880 117.2017 59.3029 28.5849 178.9689 350 L 3.8734 8.0053 118.9877 57.9926 41.1875 179.4913 351 K 3.8960 7.7823 118.9613 59.5608 32.0790 178.2897 352 H 4.0831 8.2403 118.4986 59.6382 29.8764 176.8119 353 C 3.7343 8.1682 118.6796 62.9511 27.7890 175.8877 354 N 4.3340 7.8570 118.5410 56.4777 38.4304 177.1446 355 G 3.6358 7.7209 106.5635 47.8028 0.0000 175.6711 356 I 3.7887 7.6477 122.1849 64.0811 36.9679 178.3077 357 L 4.1595 7.8586 119.7590 58.0378 42.1921 178.3313 358 K 3.9870 8.1109 119.5804 59.7597 32.1233 177.8080 359 E 3.9930 8.0402 118.9810 59.7922 29.2878 179.0391 360 L 4.2527 8.0524 117.1473 57.1314 41.6919 178.4868 361 L 4.5797 7.8486 116.9964 53.5662 42.3295 176.5644 362 S 4.6854 7.5036 115.0156 56.8876 64.7892 175.2081 363 K 3.8726 9.0655 121.3189 60.2226 31.9764 179.4490 364 K 3.9126 7.6833 117.5796 59.3457 32.5302 176.2371 365 H 4.3421 8.1937 113.2246 55.1275 29.2458 176.0947 366 A 3.5062 7.8851 125.2165 54.5748 18.2627 180.2512 367 A 3.7269 7.4073 118.1514 54.7678 18.3779 177.5666 368 Y 4.7835 6.8921 109.3645 56.3953 39.5264 175.6286 369 A 4.9078 7.3406 122.9193 53.3329 20.9016 179.4395 370 W 3.7469 7.9396 115.9802 59.4978 29.0666 176.5271 371 P 3.9894 0.0000 0.0000 64.9201 30.8472 176.9416 372 F 4.8679 7.7075 115.0007 57.4039 39.4496 177.2720 373 Y 4.4136 8.3182 121.6802 60.2195 37.7967 175.8080 374 K 5.0241 7.6492 115.5817 53.7563 35.9843 173.8444 375 P 4.3693 0.0000 0.0000 62.2264 31.7686 176.8884 376 V 3.4725 8.0738 120.9382 63.3342 31.9930 176.5344 377 D 4.5421 8.1350 127.3777 52.2115 39.6873 176.3490 378 A 3.9609 7.7036 125.7780 54.7287 19.1503 180.0372 379 S 4.1234 7.6566 111.3036 61.8235 63.3027 177.1966 380 A 4.7871 8.0920 124.1606 51.6682 17.4539 178.0692 381 L 4.2927 8.2237 116.7224 55.4620 46.3643 175.3283 382 G 4.0865 7.8651 106.9071 46.7864 0.0000 174.7270 383 L 4.6977 7.7782 116.7966 53.7239 40.8970 178.4256 384 H 4.3724 7.9302 115.6282 58.2668 29.5901 177.1498 385 D 4.5732 8.1902 118.6445 55.5210 39.8028 177.3367 386 Y 3.5104 8.4716 121.6557 61.3503 38.3260 177.9780 387 H 3.8750 8.0372 116.5764 58.5188 28.9538 177.4363 388 D 4.4753 7.9343 119.8949 57.5753 40.9186 178.2855 389 I 4.1441 7.9453 119.1973 62.7278 37.4757 176.1539 390 I 3.9927 7.8447 122.6032 59.1859 36.3559 175.3048 391 K 4.0454 8.3990 127.6726 58.8497 32.4677 176.8675 392 H 4.7247 7.5511 114.5798 52.1663 29.1094 170.2263 393 P 4.3423 0.0000 0.0000 63.1405 32.1050 175.6230 394 M 4.8538 8.0937 120.2819 53.4636 35.7972 173.8324 395 D 4.5852 7.9516 120.7713 51.5759 43.1425 176.7009 396 L 4.0404 8.5783 121.2414 57.8667 41.5619 180.1085 397 S 4.1475 8.0432 114.4708 61.6709 62.8998 176.7840 398 T 3.8627 7.8829 119.2546 66.4129 68.1936 176.8098 399 V 3.8852 7.6618 121.0610 65.2807 31.5270 178.0348 400 K 4.0286 8.2958 119.4202 59.5864 32.0730 178.5500 401 R 3.8897 8.0069 118.2747 59.8219 30.1033 179.1526 402 K 4.1126 8.1556 118.9721 58.9273 31.8973 179.2354 403 M 4.2656 8.3477 118.7369 58.7512 32.0375 177.9101 404 E 4.2303 8.1574 116.8462 57.9887 29.9280 177.6061 405 N 4.7074 7.8606 114.4626 51.9143 38.9967 174.8895 406 R 3.9214 7.6690 118.5620 57.4661 28.5173 177.3908 407 D 4.3800 8.4757 116.9822 55.4475 41.0612 175.6592 408 Y 4.8196 7.2871 118.9341 56.5435 39.1078 177.0433 409 R 4.0068 10.6286 125.4912 59.1509 30.2061 175.8748 410 D 4.5895 7.6395 114.8281 51.1798 42.1505 175.7677 411 A 4.1365 8.6235 120.1847 55.4218 18.2965 179.6396 412 Q 4.1305 8.2953 116.2221 59.2466 28.8704 178.7459 413 E 4.0334 8.3991 119.1161 59.3157 29.5296 178.9967 414 F 2.7808 7.6703 119.9425 61.0054 39.2639 177.1255 415 A 3.5792 8.0020 119.9546 54.6844 18.1152 179.4600 416 A 3.8152 7.7404 119.0759 55.3727 18.4494 179.5474 417 D 4.1825 7.7997 117.2875 57.5765 40.7797 179.3060 418 V 2.9212 7.0132 118.5494 65.6624 31.1773 178.2191 419 R 3.9972 7.7906 117.9226 58.4540 29.9132 178.7222 420 L 3.9204 7.4890 120.3271 58.1735 41.9927 178.3135 421 M 3.8040 7.7157 118.1833 58.8166 32.0091 178.2095 422 F 3.9587 7.0220 117.3613 60.5526 39.0793 177.7041 423 S 4.3240 8.8021 115.8039 61.9796 62.6371 176.5040 424 N 4.3185 8.5210 119.3420 56.6261 38.2660 177.0355 425 C 4.3018 7.8329 120.1055 62.6818 31.4494 175.1752 426 Y 4.4970 7.6911 118.4716 60.9556 37.1975 178.6639 427 K 4.0833 8.0813 119.6482 59.8451 32.5459 178.0565 428 Y 4.2656 8.2791 118.1900 58.6374 39.1893 174.8862 429 N 4.7872 7.5417 116.1995 50.3540 40.9187 173.0511 430 P 4.3380 0.0000 0.0000 61.8197 31.9545 176.0211 431 P 4.3412 0.0000 0.0000 65.5281 31.1521 176.9098 432 D 4.5853 7.9852 116.4007 54.5186 40.3516 176.1996 433 H 4.4744 8.3333 119.2199 55.5320 29.5735 176.0592 434 D 4.4950 8.9053 123.6799 57.6515 40.5003 179.7154 435 V 3.7712 7.8490 119.2379 64.7427 31.5035 178.5378 436 V 3.7993 7.9897 118.3271 65.8574 31.5479 177.9382 437 A 4.0925 8.0991 120.0946 55.4184 18.1973 179.3858 438 M 4.2427 8.3818 117.1936 58.2792 31.9072 178.8553 439 A 3.7882 8.5767 121.3244 55.1140 18.5936 179.6529 440 R 4.0333 8.0747 117.9004 58.7318 29.6589 179.3088 441 K 3.6259 7.6974 117.4649 59.4062 31.9875 179.2155 442 L 4.2085 8.1070 120.6715 58.1219 42.0674 178.6701 443 Q 3.4670 8.2003 120.7548 59.0561 28.8103 178.0384 444 D 4.4955 8.0942 119.9751 57.2754 40.8033 178.9148 445 V 3.6925 7.5431 118.0009 65.7448 31.5103 177.9627 446 F 4.2573 8.2401 120.4020 61.5612 39.4133 177.0237 447 E 3.8185 8.7819 118.5674 59.1307 28.9594 179.3689 448 F 3.6586 8.0471 119.9127 61.3970 39.5580 177.1712 449 R 4.1104 8.1929 117.7133 59.5590 29.7009 178.5099 450 Y 3.9977 8.3642 119.4536 60.4708 38.5117 177.6693 451 A 3.8186 7.8085 120.8874 54.5611 18.5015 178.8294 452 K 4.1829 7.2041 113.9952 55.7774 32.3953 176.7682 453 M 3.1598 6.9080 120.6326 54.6260 32.1689 173.3866 454 P 4.0751 0.0000 0.0000 63.8839 31.5904 176.6561 455 D 4.2778 8.2447 121.0820 53.3360 40.7755 171.8448 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ *1 H 8.44 4.76 0.00 2.95 2.92 0.00 7.11 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 8.27 4.46 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 *348 E 8.88 4.32 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 349 Q 8.19 3.95 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 350 L 8.01 3.87 0.00 1.86 1.73 1.03 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 351 K 7.78 3.90 0.00 1.77 1.98 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.59 7.81 352 H 8.24 4.08 0.00 3.25 3.47 0.00 5.86 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 353 C 8.17 3.73 0.00 2.73 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 354 N 7.86 4.33 0.00 2.70 2.90 0.00 0.00 7.04 8.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 355 G 7.72 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 356 I 7.65 3.79 2.26 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 1.35 0.00 0.00 357 L 7.86 4.16 0.00 1.99 1.92 1.10 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 358 K 8.11 3.99 0.00 2.05 1.84 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 359 E 8.04 3.99 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 360 L 8.05 4.25 0.00 2.00 1.90 1.12 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 361 L 7.85 4.58 0.00 1.67 1.49 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 362 S 7.50 4.69 0.00 4.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 363 K 9.07 3.87 0.00 1.82 1.96 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.60 1.45 7.81 364 K 7.68 3.91 0.00 1.66 1.70 0.00 1.71 0.00 0.00 1.58 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.22 1.45 7.81 365 H 8.19 4.34 0.00 3.19 2.93 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 366 A 7.89 3.51 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 367 A 7.41 3.73 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 368 Y 6.89 4.78 0.00 3.36 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 369 A 7.34 4.91 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 370 W 7.94 3.75 0.00 3.13 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 371 P 0.00 3.99 0.00 0.59 1.64 0.00 3.49 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.00 0.00 372 F 7.71 4.87 0.00 3.49 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 373 Y 8.32 4.41 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 374 K 7.65 5.02 0.00 1.81 1.78 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.41 7.81 375 P 0.00 4.37 0.00 2.05 2.05 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 376 V 8.07 3.47 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.73 0.00 0.00 377 D 8.14 4.54 0.00 2.64 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 378 A 7.70 3.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 379 S 7.66 4.12 0.00 4.12 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 380 A 8.09 4.79 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 381 L 8.22 4.29 0.00 1.56 1.63 0.86 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 382 G 7.87 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 383 L 7.78 4.70 0.00 1.84 1.75 0.84 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 384 H 7.93 4.37 0.00 3.16 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 385 D 8.19 4.57 0.00 2.99 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 386 Y 8.47 3.51 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 387 H 8.04 3.88 0.00 3.19 3.33 0.00 5.76 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 388 D 7.93 4.48 0.00 2.75 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 389 I 7.95 4.14 2.02 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.53 1.03 0.00 0.00 390 I 7.84 3.99 0.76 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.36 0.64 0.00 0.00 391 K 8.40 4.05 0.00 1.68 1.83 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.39 7.81 392 H 7.55 4.72 0.00 3.12 3.17 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 393 P 0.00 4.34 0.00 2.10 2.17 0.00 3.59 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 394 M 8.09 4.85 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.59 0.00 395 D 7.95 4.59 0.00 3.07 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 396 L 8.58 4.04 0.00 1.79 1.78 1.16 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 397 S 8.04 4.15 0.00 3.99 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 398 T 7.88 3.86 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 399 V 7.66 3.89 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.92 0.00 0.00 400 K 8.30 4.03 0.00 2.04 1.99 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.51 7.81 401 R 8.01 3.89 0.00 2.12 1.96 0.00 3.17 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 402 K 8.16 4.11 0.00 1.38 1.18 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.29 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 1.33 7.81 403 M 8.35 4.27 0.00 2.35 2.47 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 404 E 8.16 4.23 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 405 N 7.86 4.71 0.00 2.73 2.81 0.00 0.00 7.00 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 406 R 7.67 3.92 0.00 2.02 2.01 0.00 3.12 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 407 D 8.48 4.38 0.00 2.33 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 408 Y 7.29 4.82 0.00 2.98 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 409 R 10.63 4.01 0.00 2.03 2.05 0.00 3.40 0.00 0.00 3.31 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.87 0.00 410 D 7.64 4.59 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 411 A 8.62 4.14 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 412 Q 8.30 4.13 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.54 2.67 0.00 413 E 8.40 4.03 0.00 2.39 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 414 F 7.67 2.78 0.00 2.45 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 415 A 8.00 3.58 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 416 A 7.74 3.82 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 417 D 7.80 4.18 0.00 2.65 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 418 V 7.01 2.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 -0.04 0.00 0.00 419 R 7.79 4.00 0.00 1.86 1.95 0.00 3.24 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 420 L 7.49 3.92 0.00 1.77 1.80 0.98 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 421 M 7.72 3.80 0.00 1.64 1.79 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.24 0.00 422 F 7.02 3.96 0.00 3.07 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 423 S 8.80 4.32 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 424 N 8.52 4.32 0.00 2.83 2.87 0.00 0.00 6.72 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 425 C 7.83 4.30 0.00 3.10 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 Y 7.69 4.50 0.00 3.28 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 427 K 8.08 4.08 0.00 1.89 2.07 0.00 1.83 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.50 7.81 428 Y 8.28 4.27 0.00 3.02 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 429 N 7.54 4.79 0.00 2.99 2.72 0.00 0.00 7.03 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 430 P 0.00 4.34 0.00 2.06 1.90 0.00 3.10 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.90 0.00 431 P 0.00 4.34 0.00 2.17 2.20 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 432 D 7.99 4.59 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 433 H 8.33 4.47 0.00 3.48 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 434 D 8.91 4.50 0.00 2.73 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 435 V 7.85 3.77 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.91 0.00 0.00 436 V 7.99 3.80 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.15 0.00 0.00 437 A 8.10 4.09 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 438 M 8.38 4.24 0.00 2.56 2.51 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.72 0.00 439 A 8.58 3.79 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 440 R 8.07 4.03 0.00 1.86 1.93 0.00 3.00 0.00 0.00 3.19 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 441 K 7.70 3.63 0.00 1.64 0.74 0.00 1.48 0.00 0.00 1.20 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.09 1.24 7.81 442 L 8.11 4.21 0.00 2.22 1.89 1.22 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 443 Q 8.20 3.47 0.00 0.93 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.29 2.43 0.00 444 D 8.09 4.50 0.00 2.64 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 445 V 7.54 3.69 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.03 0.00 0.00 446 F 8.24 4.26 0.00 3.45 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 447 E 8.78 3.82 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.55 0.00 448 F 8.05 3.66 0.00 3.29 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 449 R 8.19 4.11 0.00 1.96 2.04 0.00 3.54 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.92 0.00 450 Y 8.36 4.00 0.00 2.33 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 451 A 7.81 3.82 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 452 K 7.20 4.18 0.00 1.85 1.81 0.00 1.67 0.00 0.00 1.43 0.00 0.00 2.15 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.55 7.81 453 M 6.91 3.16 0.00 1.53 1.73 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 454 P 0.00 4.08 0.00 1.99 1.98 0.00 3.41 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 455 D 8.24 4.28 0.00 2.63 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.