NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 299 M 4.5134 8.2893 120.3336 54.7866 33.1253 175.0257 300 P 4.2728 0.0000 0.0000 61.2668 32.9553 173.2814 301 V 3.6269 8.8295 123.2014 66.5295 32.2662 179.6591 *302 D 4.3863 8.0684 120.7004 58.4635 39.4903 182.1705 303 R 4.6489 7.4579 120.5731 58.5198 30.2769 178.6008 304 I 3.9367 7.6678 121.8605 64.9617 37.3836 178.5307 305 L 4.0566 7.9505 123.1031 59.8247 40.6849 181.0779 306 E 4.2641 8.3683 118.4354 59.0460 29.1144 179.2665 307 A 4.0555 7.8378 120.4720 55.0550 18.6355 179.2237 308 E 4.1887 8.2874 116.5623 59.8119 29.4908 179.2463 309 L 3.9497 7.8346 117.3307 57.9638 41.8081 179.2499 310 A 4.1418 8.0704 119.6620 55.8355 18.6684 176.9077 311 V 4.5723 7.8129 117.3938 60.7523 34.0005 172.6298 *335 P 4.3424 0.0000 0.0000 62.9543 33.2828 178.7796 336 V 3.3892 7.4383 117.9381 65.9852 31.3913 177.9898 337 T 3.8222 7.6501 115.1325 66.6056 68.3355 176.3324 338 N 4.3209 7.9522 117.9692 56.1990 38.5933 177.4350 339 I 3.6113 7.9832 121.5912 64.6557 37.1485 178.3496 340 C 4.2148 8.1553 117.5311 62.9158 27.8312 176.2438 341 Q 3.9565 8.1275 119.3175 58.4305 28.1912 178.6129 342 A 3.9024 7.8998 121.9034 55.1036 18.5138 179.3092 343 A 4.0306 8.3235 119.7264 55.5218 18.4129 179.3401 344 D 4.3048 8.2941 117.3332 57.6408 40.7609 178.7882 345 K 3.7935 7.9918 118.6467 60.1253 31.9045 178.3744 346 Q 4.1951 8.1455 117.9253 58.8544 28.7307 178.6143 347 L 4.1771 8.1526 120.1762 57.4224 41.4310 178.9461 348 F 4.2269 8.2361 120.3184 60.5823 39.5108 175.6465 349 T 4.6636 7.6004 105.1574 60.4360 69.8382 175.4285 350 L 4.1042 8.0189 126.2521 58.6756 41.8835 179.1499 351 V 3.6624 7.8205 117.8706 65.8298 31.2758 177.6159 352 E 3.9580 8.1381 117.0904 59.1806 29.7041 178.5651 353 W 4.2601 8.1631 127.6435 60.4465 30.6755 177.6995 354 A 2.6955 8.1433 120.5632 54.7749 17.5417 179.6787 355 K 4.0582 8.0234 115.3577 58.9563 32.1622 178.7756 356 R 4.2350 7.2991 116.7780 55.9132 30.8151 176.5973 357 I 3.6979 7.6112 121.8783 61.5213 36.9963 176.4763 358 P 3.5827 0.0000 0.0000 63.4190 32.9700 175.5499 359 H 4.8607 8.0831 111.0404 55.6072 30.1937 176.0506 360 F 4.3841 8.6377 125.1050 61.5939 39.2357 177.7152 361 S 4.1293 8.1389 114.9834 60.9542 62.7512 175.3434 362 S 4.2999 7.6662 113.3961 59.5999 63.3541 174.8359 363 L 4.0892 7.1980 120.9935 53.4793 42.1309 175.5532 364 P 4.2239 0.0000 0.0000 63.0586 33.1425 177.4564 365 L 3.9080 8.5434 121.0710 58.3759 41.7254 179.7494 366 D 4.4034 8.0290 118.0226 57.5309 40.8202 178.4422 367 D 4.4647 7.9068 118.8281 57.0199 40.8496 178.7539 368 Q 3.9684 7.8965 118.9230 58.9672 28.6666 178.9634 369 V 3.7147 7.8265 113.3819 64.5751 31.7341 178.5432 370 I 3.7845 7.6992 119.0888 64.5806 37.0995 178.4872 371 L 4.1520 8.2210 119.5884 57.9185 41.5268 179.6380 372 L 4.1632 8.2273 119.0330 57.7538 41.3268 179.5177 373 R 4.0871 8.4256 118.1968 59.4198 30.1323 178.0931 374 A 4.4203 8.1473 119.3385 53.6853 18.8353 178.6481 375 G 3.9558 8.0400 102.0108 43.8534 0.0000 174.9897 376 W 4.3803 8.2573 120.3556 59.9784 27.8649 178.0074 377 N 3.5572 5.9124 117.1042 54.6791 36.7771 176.9805 378 E 3.6656 7.5040 120.3040 59.0637 29.6202 178.6772 379 L 3.7186 7.8243 119.1512 58.0745 41.6365 179.6863 380 L 3.8933 7.7982 118.2868 57.9830 41.6970 179.7694 381 I 2.8911 8.1316 119.6833 63.9575 37.0048 178.3304 382 A 3.7719 7.7057 121.7460 54.6011 18.2333 179.6921 383 S 3.8532 7.6743 111.9796 61.5522 62.3555 176.5032 384 F 4.3512 7.9829 116.1318 59.7586 37.8762 177.3822 385 S 4.2525 7.0860 115.3381 61.6765 62.6428 175.9473 386 H 4.0626 7.9016 120.4495 59.4268 29.4721 177.1785 387 R 4.0078 7.8897 118.5677 58.8111 30.0404 177.4114 388 S 4.7018 7.8408 113.6156 58.4619 62.8569 175.6382 389 I 3.7387 7.7777 124.7499 63.8596 36.9615 176.1358 390 D 4.9278 7.9808 118.4232 53.7860 41.5392 175.2401 391 V 4.2704 7.5803 119.4327 60.7169 33.2550 175.8355 *392 R 3.8512 8.7697 125.5586 57.4594 29.8750 174.2630 393 D 4.4162 8.9179 126.4538 53.0482 38.2140 171.9716 394 G 4.6864 7.1056 105.1746 46.0148 0.0000 172.1049 395 I 4.6899 8.7509 119.5322 59.0184 41.3879 174.7782 396 L 4.6934 9.7221 131.5127 53.0089 42.4822 176.1133 397 L 4.0308 8.4285 126.5481 54.4884 42.1521 178.6285 398 A 4.1732 8.4156 122.5870 54.1764 18.3652 178.2504 399 T 4.1627 7.6959 109.1581 61.7946 67.9392 174.2356 400 G 4.0465 8.0344 108.2631 46.0473 0.0000 174.2440 401 L 4.2648 7.5466 118.2910 54.9933 43.0889 175.9239 402 H 5.3643 8.5179 117.1716 54.4720 31.9181 174.6156 403 V 4.2660 8.1869 119.3239 62.1819 34.6571 173.4805 404 H 5.3090 8.6186 124.7283 54.2454 31.3265 176.1633 405 R 3.8918 9.0037 121.2159 59.8488 29.8605 178.6610 406 N 4.2663 8.0696 115.7274 56.4641 38.6572 177.3080 407 S 4.0064 7.9181 116.2757 61.4468 62.8772 176.6010 408 A 3.6672 7.4676 122.7265 55.4724 18.0413 179.2156 409 H 3.9724 7.9935 114.4497 59.1310 28.5776 178.0424 410 S 4.1167 8.1637 113.6804 60.9951 62.2754 175.2358 411 A 4.3199 7.9860 121.3716 52.3033 18.6319 178.0902 412 G 4.0731 8.2240 105.9602 45.3450 0.0000 174.5010 413 V 4.5829 7.6919 113.1175 60.9675 32.6246 178.7593 414 G 3.2233 8.3066 107.3713 47.7882 0.0000 175.3499 415 A 4.0435 8.0164 123.6047 54.9929 18.4243 179.5096 416 I 3.6879 7.7689 116.3107 63.9709 38.1729 177.6220 417 F 4.0353 8.2000 121.3622 61.3131 39.1583 176.8904 418 D 4.4646 8.4802 118.6404 57.2406 40.5763 178.9511 419 R 3.9221 7.6951 119.0059 58.9753 29.9390 179.0038 420 V 3.4457 7.7286 118.0117 66.0306 31.5404 178.0590 421 L 3.8744 7.4942 118.1976 58.0735 41.2834 179.7855 422 T 3.7903 7.9504 114.4139 66.8878 68.5909 176.5117 423 E 4.1552 8.3673 119.0779 58.2718 29.7757 177.1689 424 L 4.4581 7.5646 115.8261 56.2972 43.8236 178.2927 425 V 3.5303 8.1462 118.1306 66.4010 31.4937 178.3570 426 S 4.1008 8.7539 113.8126 61.6761 62.4081 176.7429 427 K 3.9698 7.9201 121.3273 59.0816 31.8973 179.0336 428 M 4.0633 8.1960 119.3456 57.7800 31.6895 178.7243 429 R 3.8974 7.9882 119.3528 59.4080 30.0698 178.2228 430 D 4.3555 8.0561 117.8614 57.5615 40.9056 178.2810 431 M 4.0663 7.6468 117.0392 55.4732 32.8809 176.2273 432 R 3.6830 7.5027 116.9265 57.1439 27.8311 177.0788 433 M 4.1454 7.9581 117.3541 55.5579 32.7226 176.0230 434 D 4.8194 9.3697 127.6027 52.4595 42.0548 177.3664 435 K 3.9293 8.6298 119.1782 60.0710 32.1254 179.3401 436 T 3.7594 8.0447 115.2803 66.9656 68.3246 176.2166 437 E 4.0142 9.6013 121.2883 59.1290 29.3877 179.0871 438 L 4.0017 8.1698 120.5938 58.1672 42.1669 178.9184 439 G 3.9596 8.6983 105.9245 48.3300 0.0000 175.0703 440 C 4.3034 8.0177 118.6251 62.6123 28.1556 175.9203 441 L 3.9891 7.9292 120.3958 58.2240 41.2705 179.7640 442 R 3.8335 8.4351 117.6823 59.3003 30.0756 178.6064 443 A 3.8956 8.9572 121.0702 55.5899 18.0770 179.8046 444 I 3.8291 8.3712 117.4972 64.6395 37.3605 178.4161 445 I 3.8536 7.8039 112.7074 63.7818 37.2971 177.6349 446 L 4.1440 8.1822 121.6562 57.3636 43.2958 178.6118 447 F 5.1694 7.6105 118.6005 55.2302 36.4389 173.3010 448 N 4.8664 7.8242 117.9634 51.0592 39.5148 173.6643 449 P 4.4578 0.0000 0.0000 65.1100 31.6254 177.4693 450 D 4.4783 8.2755 116.4867 54.9478 41.3445 176.4004 451 A 3.9849 8.0453 126.5387 52.7063 18.6077 177.8254 452 K 4.0861 8.5798 125.4886 56.1269 32.2428 173.8330 453 G 4.0483 8.9645 111.7152 44.3590 0.0000 173.4369 454 L 4.1774 7.2079 119.1688 54.4791 42.2248 177.5804 455 S 4.1407 9.8266 119.2412 61.0114 63.1555 175.3301 456 N 4.7896 7.8765 126.1899 49.9872 39.0350 172.8105 457 P 4.2995 0.0000 0.0000 65.2400 31.7059 178.2047 458 S 4.1673 8.0992 112.6632 61.3691 62.8182 175.9399 459 E 3.8096 8.2663 122.2516 59.1185 29.5203 178.8120 460 V 3.4680 7.4164 118.0038 65.8724 31.6493 177.2800 461 E 3.9354 8.7076 119.3712 59.5441 29.2986 178.9097 462 V 3.7818 7.9334 119.6709 65.5377 31.3748 178.0274 463 L 3.7001 7.6190 118.2660 57.1859 41.2221 179.4944 464 R 4.2571 7.7963 116.1181 58.8610 29.2151 178.5349 465 E 2.5400 7.9718 117.8139 58.0134 29.4792 179.3706 466 K 3.8308 7.4676 120.2833 59.1256 32.0536 179.2489 467 V 3.6551 7.3801 118.7522 66.2267 31.6207 177.3902 468 Y 4.5773 8.0972 115.7084 58.5960 37.9917 177.5138 469 A 4.0027 7.4389 122.9654 55.5336 18.8240 179.6445 470 S 4.1121 8.1742 113.6749 61.6007 62.8293 176.7601 471 L 4.0750 8.3995 123.3651 58.2761 41.8883 178.6982 472 E 3.3607 7.9980 119.1710 59.1842 29.2979 178.7873 473 T 3.7478 7.8578 115.7315 66.7830 68.5178 175.5262 474 Y 4.1335 8.4891 121.6500 61.4048 38.9126 178.3330 475 C 4.3348 8.5724 117.2215 62.7975 27.9402 176.4226 476 K 4.1152 7.9127 122.0838 60.1476 31.7125 179.7299 *477 Q 4.1936 8.1081 122.7607 60.8050 28.2273 181.0554 *478 K 4.4126 7.7420 125.6094 58.2986 33.4411 179.1724 479 Y 5.0239 7.4865 115.0340 55.8110 38.2074 174.5844 480 P 4.3157 0.0000 0.0000 66.4674 32.0339 179.1497 *481 E 3.9988 8.2760 113.8443 57.8335 29.7593 179.0573 482 Q 4.5060 7.8992 119.7948 55.1838 28.1602 175.9776 *483 Q 4.1612 8.5721 121.9991 56.6681 28.8312 175.8255 484 G 4.0611 7.9120 101.2485 45.2560 0.0000 175.2656 485 R 3.8638 7.8778 121.8821 59.2260 30.0783 177.7616 486 F 4.2990 8.3910 119.6861 61.4386 39.3162 176.6033 487 A 3.4968 8.0263 119.4935 55.0435 18.0451 178.9572 488 K 3.6712 7.8176 116.6442 59.8838 32.4373 178.3801 489 L 4.0561 8.1814 119.0797 57.9511 41.5913 179.4310 490 L 3.8924 7.5406 118.7504 57.6916 41.2612 178.9978 491 L 4.2464 7.7862 115.7346 55.8175 41.7580 178.3120 492 R 4.2860 7.9234 118.7499 56.9865 30.4823 178.4461 493 L 3.9582 7.8115 120.1611 57.1345 41.6188 177.4972 494 P 4.2030 0.0000 0.0000 65.7255 31.1898 178.3568 495 A 3.9554 7.8503 120.1934 54.9251 18.3317 179.4306 496 L 3.8638 7.6540 117.1708 57.7231 41.6070 179.3726 497 R 3.8195 8.0272 119.2743 59.1639 30.0397 178.4565 498 S 4.0699 8.2205 113.7278 61.7872 62.9922 176.3163 499 I 3.7388 7.8378 124.2380 63.7385 36.8399 178.4758 500 G 3.5077 8.0863 106.2088 47.8768 0.0000 175.5876 501 L 4.0304 7.8618 121.8732 57.3769 41.6566 179.8235 502 K 4.0197 8.2264 118.3908 59.4947 31.8941 178.6497 503 C 4.0553 8.4692 119.2647 62.8268 31.5098 175.6119 504 L 4.0633 8.1006 120.2540 57.9244 41.2350 179.5839 505 E 4.2842 8.2656 118.2694 59.9842 29.4628 179.0722 506 H 4.2167 8.5528 116.1696 58.9426 28.8108 177.7548 507 L 4.2277 8.5590 121.1247 57.9790 41.3856 179.4909 508 F 4.1158 8.4497 117.6047 60.4642 38.9505 176.9980 509 F 4.1635 8.4029 120.0133 61.9781 39.1320 177.6256 510 F 4.1232 8.3470 116.8917 60.2523 38.4456 177.6349 511 K 4.0970 7.9480 118.6285 58.9449 32.0237 178.2899 512 L 4.2015 8.1420 120.9381 57.0111 42.1385 177.7513 513 I 4.2234 7.5526 110.9493 59.7379 38.2069 175.9338 514 G 3.7318 7.4085 110.2881 47.1729 0.0000 172.5687 515 D 4.4814 8.6787 119.1096 54.9016 38.8992 173.6194 516 T 4.7482 7.2344 105.9721 58.4299 71.7330 172.8511 517 P 4.2030 0.0000 0.0000 66.4198 30.5130 178.5341 518 I 3.7893 7.3569 118.5750 64.4986 37.3271 177.4407 519 D 4.5499 8.5371 121.5393 57.9791 40.7801 178.8919 520 T 3.9121 7.9080 113.8932 66.1657 68.6550 178.1430 521 F 4.8041 8.3262 124.2115 60.6653 39.3726 175.5078 522 L 4.1995 7.7775 122.7285 54.6667 41.8902 181.4259 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 299 M 8.29 4.51 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.46 0.00 300 P 0.00 4.27 0.00 2.31 2.19 0.00 3.73 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.02 0.00 301 V 8.83 3.63 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.99 0.00 0.00 *302 D 8.07 4.39 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 303 R 7.46 4.65 0.00 1.74 2.08 0.00 3.11 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 304 I 7.67 3.94 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 0.95 0.00 0.00 305 L 7.95 4.06 0.00 1.66 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 306 E 8.37 4.26 0.00 2.16 2.04 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 2.34 2.34 0.00 307 A 7.84 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 308 E 8.29 4.19 0.00 2.24 2.03 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 2.58 2.40 0.00 309 L 7.83 3.95 0.00 1.80 1.78 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 310 A 8.07 4.14 1.47 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 0.00 0.00 311 V 7.81 4.57 2.11 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 0.88 0.00 0.00 1.05 0.00 0.00 *335 P 0.00 4.34 0.00 2.12 2.20 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.98 0.00 336 V 7.44 3.39 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.26 0.00 0.00 337 T 7.65 3.82 4.17 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 1.17 0.00 0.00 338 N 7.95 4.32 0.00 2.80 2.80 0.00 0.00 7.14 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 339 I 7.98 3.61 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.83 0.83 0.00 0.00 340 C 8.16 4.21 0.00 2.94 2.97 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 0.00 341 Q 8.13 3.96 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 342 A 7.90 3.90 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 0.00 343 A 8.32 4.03 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 344 D 8.29 4.30 0.00 2.83 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 0.00 345 K 7.99 3.79 0.00 1.70 2.01 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.43 7.81 346 Q 8.15 4.20 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 347 L 8.15 4.18 0.00 1.88 1.71 0.65 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 348 F 8.24 4.23 0.00 3.01 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 349 T 7.60 4.66 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 1.46 0.00 0.00 350 L 8.02 4.10 0.00 2.06 1.78 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 351 V 7.82 3.66 2.09 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 1.16 0.00 0.00 0.98 0.00 0.00 352 E 8.14 3.96 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 353 W 8.16 4.26 0.00 3.43 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 0.00 354 A 8.14 2.70 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.02 4.06 0.00 1.91 1.92 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.60 1.79 7.81 356 R 7.30 4.23 0.00 1.80 1.83 0.00 3.17 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 357 I 7.61 3.70 1.61 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.14 0.97 0.00 0.00 358 P 0.00 3.58 0.00 2.23 2.10 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 359 H 8.08 4.86 0.00 3.12 3.24 0.00 5.83 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 360 F 8.64 4.38 0.00 3.20 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 361 S 8.14 4.13 0.00 3.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 362 S 7.67 4.30 0.00 3.98 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 429 R 7.99 3.90 0.00 1.99 2.05 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 430 D 8.06 4.36 0.00 2.65 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 431 M 7.65 4.07 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 432 R 7.50 3.68 0.00 1.90 2.02 0.00 3.18 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 433 M 7.96 4.15 0.00 1.86 1.92 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 434 D 9.37 4.82 0.00 3.12 2.99 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 0.00 435 K 8.63 3.93 0.00 1.82 1.92 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.59 1.51 7.81 436 T 8.04 3.76 4.17 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 0.05 0.00 0.00 437 E 9.60 4.01 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.99 0.00 438 L 8.17 4.00 0.00 1.87 1.88 0.92 0.84 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 0.00 439 G 8.70 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.02 4.30 0.00 3.26 3.09 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 0.00 441 L 7.93 3.99 0.00 1.85 1.72 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 442 R 8.44 3.83 0.00 2.18 2.02 0.00 3.00 0.00 0.00 2.86 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 443 A 8.96 3.90 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 0.00 444 I 8.37 3.83 2.16 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.93 1.03 0.00 0.00 445 I 7.80 3.85 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.51 0.94 0.00 0.00 446 L 8.18 4.14 0.00 1.63 1.48 0.73 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 447 F 7.61 5.17 0.00 3.17 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 0.00 448 N 7.82 4.87 0.00 3.04 2.78 0.00 0.00 7.07 7.71 0.00 0.00 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 P 0.00 4.46 0.00 2.13 2.14 0.00 3.80 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 450 D 8.28 4.48 0.00 2.85 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 0.00 451 A 8.05 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 4.09 0.00 1.79 1.62 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.01 7.81 453 G 8.96 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 454 L 7.21 4.18 0.00 1.82 1.65 1.10 0.93 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 0.00 455 S 9.83 4.14 0.00 3.92 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 456 N 7.88 4.79 0.00 2.76 2.83 0.00 0.00 7.33 8.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 457 P 0.00 4.30 0.00 2.21 2.10 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 458 S 8.10 4.17 0.00 4.03 4.13 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 0.00 459 E 8.27 3.81 0.00 2.18 2.10 0.00 0.00 0.00 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 2.31 0.00 460 V 7.42 3.47 2.27 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 1.08 0.00 0.00 0.99 0.00 0.00 461 E 8.71 3.94 0.00 2.09 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 0.00 2.34 2.38 0.00 462 V 7.93 3.78 2.15 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 1.06 0.00 0.00 0.91 0.00 0.00 463 L 7.62 3.70 0.00 1.07 0.23 0.36 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 464 R 7.80 4.26 0.00 2.29 2.52 0.00 2.95 0.00 0.00 3.50 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 465 E 7.97 2.54 0.00 1.81 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.29 0.00 466 K 7.47 3.83 0.00 1.85 1.80 0.00 1.47 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.54 7.81 467 V 7.38 3.66 2.40 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 1.27 0.00 0.00 1.25 0.00 0.00 468 Y 8.10 4.58 0.00 3.55 3.38 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 0.00 469 A 7.44 4.00 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 0.00 470 S 8.17 4.11 0.00 4.06 3.97 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 0.00 471 L 8.40 4.07 0.00 2.00 2.04 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 472 E 8.00 3.36 0.00 1.16 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 473 T 7.86 3.75 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 474 Y 8.49 4.13 0.00 3.12 3.27 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 0.00 475 C 8.57 4.33 0.00 3.31 3.14 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 0.00 0.00 0.00 0.00 476 K 7.91 4.12 0.00 1.98 1.84 0.00 1.61 0.00 0.00 1.95 0.00 0.00 3.15 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.48 7.81 *477 Q 8.11 4.19 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.99 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 *478 K 7.74 4.41 0.00 1.84 1.76 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.39 1.35 7.81 479 Y 7.49 5.02 0.00 3.19 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 0.00 480 P 0.00 4.32 0.00 2.16 2.25 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 *481 E 8.28 4.00 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 482 Q 7.90 4.51 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 *483 Q 8.57 4.16 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.27 1.92 0.00 484 G 7.91 4.06 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 0.00 0.00 0.00 485 R 7.88 3.86 0.00 1.83 2.12 0.00 2.89 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.65 0.00 486 F 8.39 4.30 0.00 3.13 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 487 A 8.03 3.50 1.25 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 0.00 0.00 488 K 7.82 3.67 0.00 1.88 2.03 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.47 7.81 489 L 8.18 4.06 0.00 1.86 1.66 1.02 0.58 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 0.00 490 L 7.54 3.89 0.00 1.52 1.47 0.17 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 491 L 7.79 4.25 0.00 1.66 1.64 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 492 R 7.92 4.29 0.00 1.93 1.87 0.00 3.22 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 493 L 7.81 3.96 0.00 1.74 1.66 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 494 P 0.00 4.20 0.00 2.22 2.26 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 495 A 7.85 3.96 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 496 L 7.65 3.86 0.00 1.81 1.60 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 497 R 8.03 3.82 0.00 1.96 2.09 0.00 3.14 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 498 S 8.22 4.07 0.00 4.07 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 0.00 499 I 7.84 3.74 1.88 0.00 0.00 0.78 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 0.53 0.86 0.00 0.00 500 G 8.09 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 501 L 7.86 4.03 0.00 1.85 1.76 0.93 0.65 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 0.00 502 K 8.23 4.02 0.00 2.12 1.89 0.00 1.59 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.56 7.81 503 C 8.47 4.06 0.00 3.02 3.13 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 0.00 504 L 8.10 4.06 0.00 2.00 1.86 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 505 E 8.27 4.28 0.00 2.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.59 0.00 506 H 8.55 4.22 0.00 3.53 3.68 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 L 8.56 4.23 0.00 1.93 1.72 1.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 508 F 8.45 4.12 0.00 3.44 3.13 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 0.00 509 F 8.40 4.16 0.00 3.00 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 0.00 510 F 8.35 4.12 0.00 3.29 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 0.00 511 K 7.95 4.10 0.00 2.24 1.92 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.47 7.81 512 L 8.14 4.20 0.00 1.91 1.83 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 513 I 7.55 4.22 1.71 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.57 0.49 0.00 0.00 514 G 7.41 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 515 D 8.68 4.48 0.00 2.76 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 T 7.23 4.75 4.24 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 0.00 0.00 1.27 0.00 0.00 517 P 0.00 4.20 0.00 2.28 2.38 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 518 I 7.36 3.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 0.96 0.00 0.00 519 D 8.54 4.55 0.00 3.06 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 0.00 520 T 7.91 3.91 4.24 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 0.00 0.00 1.21 0.00 0.00 521 F 8.33 4.80 0.00 2.93 3.36 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 0.00 0.00 0.00 0.00 522 L 7.78 4.20 0.00 1.66 1.33 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.