NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 285 N 4.5670 8.4131 118.2160 52.4422 39.5977 174.8749 286 G 3.7977 8.0504 105.2388 45.5454 0.0000 171.9129 287 H 4.2464 8.1616 121.2212 58.4376 32.5970 173.6931 288 L 4.7294 7.8544 120.2729 54.2348 42.9110 175.8732 289 Q 4.6373 9.2879 126.0293 54.5617 31.2851 174.1093 290 H 5.0140 8.7242 120.2431 54.7657 30.8136 174.9781 291 H 5.0148 9.1660 120.4646 53.3368 29.3836 171.2641 292 P 5.1387 0.0000 0.0000 60.5489 33.3360 174.5861 293 P 4.4148 0.0000 0.0000 63.2110 31.0751 174.1565 294 M 4.3940 7.9365 120.5792 55.6424 35.5011 173.5321 *312 P 4.2126 0.0000 0.0000 61.5352 33.3161 175.0176 313 P 4.4285 0.0000 0.0000 62.8359 31.8333 176.8353 314 I 3.9191 8.8690 122.7917 63.6181 37.4165 176.0333 315 S 4.6469 7.4741 112.3300 57.1633 65.2888 173.4834 316 N 4.6130 8.6104 121.5989 54.3847 39.1639 175.3652 317 H 3.9588 7.8078 117.5084 55.6081 30.2719 172.8089 318 P 4.3415 0.0000 0.0000 62.2570 31.7615 175.9487 319 A 4.0315 8.6005 123.5679 52.0708 18.6898 175.8312 320 P 4.4882 0.0000 0.0000 62.5084 32.4538 176.4381 321 E 3.9354 8.8521 120.7474 58.6574 29.8091 176.3794 322 Y 5.1934 7.6161 114.0072 56.0446 41.1079 175.3072 323 W 4.9424 8.6242 119.2770 57.3125 29.8838 175.2816 324 C 5.6395 6.7896 113.3796 58.6724 32.1110 172.6509 325 S 4.9296 8.2585 115.5485 56.7871 65.9870 172.9372 326 I 5.0878 8.7667 125.3953 59.3874 40.0462 174.3892 327 A 5.0506 8.9575 127.7694 50.2557 22.1204 174.2011 328 Y 5.0271 8.5133 123.3477 56.3757 40.9921 174.2787 329 F 4.6018 8.3131 123.9799 55.4563 43.7083 173.7203 330 E 5.1148 8.8726 121.0935 53.9513 32.4437 177.2579 331 M 3.5250 9.3497 127.1054 56.8340 31.7382 178.3458 332 D 5.0302 9.1435 122.8077 53.9038 40.1570 175.8250 333 V 4.3825 8.1417 118.8617 61.9788 34.4002 173.9169 334 Q 3.8229 8.4455 127.2168 54.2603 29.1978 174.6894 335 V 3.9219 7.5506 125.7649 62.4037 32.6086 176.7364 336 G 4.0197 8.6507 113.1898 45.2559 0.0000 172.2667 337 E 4.3243 8.2061 117.8674 55.1581 30.6966 176.6482 338 T 4.0861 8.0490 117.5913 63.5465 69.1128 174.1847 339 F 3.7839 8.5233 130.5379 57.5458 40.2944 174.0587 340 K 4.4289 7.6222 125.7904 54.5522 33.8142 175.8506 341 V 4.2276 7.7685 125.3308 60.4781 32.9648 173.7733 342 P 4.9816 0.0000 0.0000 62.7814 31.8502 177.7664 343 S 4.5872 8.4905 117.7267 61.3013 62.8392 175.8904 344 S 4.4032 8.1573 113.1971 59.7443 63.9236 174.3460 345 C 4.8875 8.1415 120.9188 56.9626 27.3346 172.1915 346 P 4.2026 0.0000 0.0000 64.9965 32.2645 177.0247 347 I 5.2717 7.6136 119.8265 59.4078 39.6735 175.4413 348 V 4.8398 9.1461 126.8245 60.2738 34.4708 174.6801 349 T 5.0564 8.6008 119.1875 61.8961 71.4579 173.4691 350 V 5.2345 9.0519 126.2306 60.5702 33.8259 173.5476 351 D 5.2563 8.3300 128.0792 51.2558 43.1553 176.3464 352 G 3.5374 8.7614 105.2080 46.8149 0.0000 174.5884 353 Y 4.4033 8.8845 120.7287 56.7263 40.9702 177.3891 354 V 4.4971 8.3060 117.8039 61.7349 33.1919 174.7446 355 D 4.4936 8.2110 120.7231 53.6084 41.5239 174.3212 356 P 4.6338 0.0000 0.0000 63.5916 32.1704 177.9459 357 S 3.9391 8.3771 115.9365 59.8425 62.9678 176.0214 358 G 4.1499 9.0235 109.1622 44.8025 0.0000 172.7341 359 G 4.0432 9.2332 111.1154 44.5404 0.0000 173.9323 360 D 5.1111 9.4535 120.8152 52.7566 41.4302 176.4006 361 R 4.9275 8.0961 119.1700 55.7732 33.1550 173.5948 362 F 4.6024 9.5035 130.7866 56.7554 40.9657 173.8089 363 C 4.9821 8.7257 123.9014 58.1116 28.4295 173.9942 364 L 3.8155 8.0444 122.1762 54.1901 42.0555 178.6980 365 G 4.0144 8.0725 107.8444 47.9801 0.0000 175.2078 366 Q 4.0345 7.9504 117.5649 57.8576 29.1039 176.5963 367 L 3.7995 6.6493 115.4160 55.1087 42.1410 176.7590 368 S 4.7403 8.2746 117.9578 57.1225 65.4112 173.9836 369 N 4.5908 8.1490 120.8678 52.8529 39.8233 175.5595 370 V 3.6002 8.3512 120.4515 64.1445 31.7696 177.1871 371 H 4.6351 8.2695 115.3763 56.1024 29.2146 175.5517 372 R 3.9559 7.5742 120.0998 57.0354 30.4735 175.3830 373 T 4.7624 7.9999 111.8867 59.1007 73.3694 174.4644 374 E 3.9009 8.6488 120.2113 59.1473 29.5141 178.4214 375 A 3.9792 7.9191 120.3999 55.3690 18.5395 179.4790 376 I 3.7143 7.5797 118.0222 64.6158 36.9663 178.6026 377 E 3.9805 8.3531 119.5633 59.3024 29.0274 179.6036 378 R 3.9123 8.0515 117.2237 59.1973 30.4800 178.6318 379 A 4.2080 8.1718 120.5637 55.3327 18.3907 179.8899 380 R 3.8484 8.4019 116.9441 59.2052 29.8362 178.8221 381 L 3.8619 7.3807 119.5289 57.8883 41.9805 177.2823 382 H 4.7698 7.5104 113.0913 55.6681 29.2867 176.1938 383 I 3.8611 8.0153 123.2245 63.5460 38.0987 176.7069 384 G 3.6926 7.8191 110.3282 46.3269 0.0000 175.3109 385 K 4.2066 9.1958 122.6476 57.0035 33.1491 179.0878 386 G 3.9545 7.9504 110.0480 46.9256 0.0000 174.0750 387 V 5.2097 9.0325 118.6228 59.3467 36.4618 173.1371 388 Q 5.0673 8.8320 120.9729 54.6731 32.2639 173.7504 389 L 5.3980 9.1239 126.7208 53.3967 43.9024 175.0322 390 E 5.1817 9.4044 125.7050 54.5842 32.4479 174.2347 391 C 4.9059 8.4120 125.8821 57.5545 33.2965 172.9771 392 K 4.2839 8.9127 126.6155 55.4673 33.9733 177.7931 393 G 3.8679 8.6354 111.7980 46.0563 0.0000 173.9274 394 E 4.0662 9.0268 119.9551 59.4964 29.9357 178.5163 395 G 4.3001 7.5564 101.5122 46.3603 0.0000 173.1553 396 D 5.0636 8.3056 121.6368 53.7001 42.3536 175.5711 397 V 5.0163 8.8025 122.8051 61.0751 34.2213 174.4473 398 W 5.0552 9.6216 126.8051 54.8601 33.3083 174.4906 399 V 5.0854 8.6703 120.9364 61.3116 34.8496 174.2805 400 R 5.1652 9.1257 127.2715 54.6289 33.0737 173.7432 401 C 4.6631 9.0006 128.6131 59.6274 31.8121 173.6041 402 L 4.6808 8.7142 126.0470 55.6502 42.9500 177.1944 403 S 4.4471 8.3712 113.4214 58.5371 62.6103 174.3416 404 D 4.6019 8.9607 122.5610 56.0503 41.1688 176.4302 405 H 4.8930 7.9427 115.8110 53.5718 31.2886 174.3423 406 A 4.3984 8.3339 124.3585 52.1060 19.8634 176.4486 407 V 4.8039 8.2315 111.6405 59.6653 36.0591 175.4733 408 F 4.7703 9.1406 120.9350 55.8213 40.7326 175.1948 409 V 4.5099 9.0908 124.7812 62.3577 33.3474 174.8009 410 Q 4.8774 9.6496 127.5199 54.4700 31.3452 174.2714 411 S 4.7400 8.3170 121.4056 55.9829 65.1567 174.1290 412 Y 4.2873 9.1269 125.9372 61.1456 37.5658 178.2161 413 Y 4.0620 8.1466 120.2535 60.7836 39.0879 177.5588 414 L 3.7491 8.1090 119.8143 57.5638 41.5481 179.3675 415 D 4.3211 7.9772 119.0476 57.2575 40.8961 178.5146 416 R 3.8340 7.7294 118.8339 59.4984 29.8103 178.2292 417 E 3.7488 7.6191 116.4147 59.3482 29.6440 178.9560 418 A 4.1649 8.1345 117.5537 51.9377 18.7360 177.1031 419 G 3.8755 7.7208 104.8853 46.9450 0.0000 174.1187 420 R 4.5962 7.8218 115.9372 53.1392 33.6169 176.2026 421 A 3.9265 8.5609 122.6199 52.1017 18.6872 175.3776 422 P 4.3551 0.0000 0.0000 64.4306 31.6178 177.0508 423 G 3.6117 8.6954 111.3151 45.6771 0.0000 173.1824 424 D 4.6407 8.1381 121.1439 52.1969 40.1825 174.1176 425 A 4.1950 6.8093 119.5246 51.2955 22.9765 177.1621 426 V 3.9568 8.0583 118.3449 61.3710 35.0317 173.9013 427 H 4.9529 9.0471 125.6077 53.9504 30.8149 173.9458 428 K 3.7997 8.6620 127.1978 55.3401 33.0053 176.0076 429 I 4.4787 8.6142 131.4109 60.1352 38.0653 175.4799 430 Y 4.3788 8.8114 125.9367 56.8637 39.1078 174.4284 431 P 4.4116 0.0000 0.0000 64.8765 31.9374 175.7948 432 S 4.5817 9.3829 118.2635 58.2685 62.4871 169.6603 433 A 4.1648 8.0897 121.5943 53.0153 19.2449 176.3717 434 Y 5.8406 8.9731 121.4642 54.2941 39.3698 173.4856 435 I 4.3806 7.8541 116.7849 57.8644 41.1298 175.0536 436 K 2.7517 7.3112 125.7482 56.1462 31.9872 176.6957 437 V 4.4707 8.3615 118.7784 60.9042 34.2464 175.5961 438 F 4.4367 7.4881 122.6661 56.2786 43.2196 172.5867 439 D 4.7722 6.9454 124.4238 51.5850 42.7429 175.3638 440 L 3.8236 8.5373 129.0291 58.3854 42.0012 178.5632 441 R 3.9547 7.9871 117.7807 59.7877 29.9293 177.9613 442 Q 3.9287 9.1179 119.5430 59.2075 29.0289 177.7478 443 C 4.0644 8.2889 120.0440 62.6479 31.4955 174.8505 444 H 4.1565 9.2781 120.6739 59.3773 29.1160 177.0198 445 R 3.8078 8.1497 120.4217 59.6125 29.9372 178.2626 446 Q 3.9629 8.2242 119.2534 59.3248 28.9194 177.7257 447 M 3.9763 8.1659 119.8206 58.5807 31.9635 178.4237 448 Q 3.9809 7.7910 117.6216 59.5147 29.0684 179.6174 449 Q 3.9615 7.7727 118.1802 58.6593 28.6290 178.6103 450 Q 3.9600 8.0628 120.7017 58.7523 29.1401 177.7533 451 A 3.9483 8.7220 122.0784 54.9895 18.4498 179.3266 452 A 3.9297 8.2149 119.5039 55.8659 18.5162 180.0284 453 T 3.8326 7.9211 113.8466 66.4903 68.4295 176.6201 454 A 3.9646 7.9216 122.7477 55.7566 18.4800 179.0202 455 Q 3.8356 8.2817 115.6804 59.2336 28.7255 179.1906 456 A 3.9564 8.2897 120.7627 55.5877 18.3245 179.2441 457 A 3.9183 7.8012 117.1138 55.4758 18.6247 179.4510 458 A 4.0386 7.9658 118.5456 55.4432 18.6065 179.6070 459 A 3.8952 8.1404 118.8483 55.3285 18.2322 179.3217 460 A 4.1311 8.2437 117.6571 54.0878 18.4867 178.6436 461 Q 4.1631 8.6528 118.1208 57.5977 29.0932 177.6651 462 A 3.8856 7.6156 121.1606 55.1836 18.8363 178.5013 463 A 3.9986 8.0910 119.6309 55.4018 18.5857 179.4410 464 A 4.3657 7.3453 115.9837 52.2966 17.6068 176.8567 465 V 4.1752 7.8079 117.8557 62.7763 34.9213 174.4355 *479 A 4.0783 8.2908 124.2870 51.4193 18.4433 174.5653 480 P 4.4405 0.0000 0.0000 66.0210 32.1991 178.6446 481 A 4.3980 7.7083 122.1997 50.9520 17.5203 176.7342 482 I 4.7648 7.4139 118.9500 61.3558 41.5317 175.0514 483 S 4.9136 8.6254 119.8768 56.9027 65.0502 173.0157 484 L 4.8560 8.6719 124.4873 53.8182 44.9890 175.0448 485 S 4.7089 8.2823 115.5767 57.0143 65.3022 173.6352 486 A 4.3997 8.3320 128.9901 50.8133 19.6926 177.3362 487 A 4.1459 8.2961 123.4597 51.9976 19.2010 178.0835 488 A 4.1375 8.6485 124.0039 54.9127 18.9073 178.6817 489 G 4.0622 7.8699 104.0892 45.2496 0.0000 173.3074 490 I 3.8009 7.9683 113.8147 62.0105 37.7007 175.3769 491 G 3.9841 9.0250 111.2405 46.1357 0.0000 175.0615 492 V 3.7071 7.6919 120.4539 65.4352 31.4174 177.6321 493 D 4.2622 7.9883 117.8010 57.4453 41.1135 177.5213 494 D 4.4054 8.1292 118.1488 57.3896 40.9350 178.9418 495 L 4.0605 7.5511 118.3552 57.7454 41.8144 179.4970 496 R 3.9227 7.8463 115.4308 59.4832 29.1903 178.9345 497 R 4.0029 7.9068 118.4559 58.8727 29.7967 178.4179 498 L 4.0575 7.8577 117.6886 56.4935 41.8493 177.1896 499 C 4.7646 8.0225 115.9467 59.3483 29.5264 173.1850 500 I 5.0183 7.6794 119.5488 59.4039 39.7156 174.9756 501 L 5.1821 8.9575 124.7945 53.1985 45.5264 175.7735 502 R 5.3696 8.6274 119.9970 54.8784 34.6665 174.1887 503 M 5.4040 9.1680 120.2531 53.7790 35.1947 173.6620 504 S 5.2355 9.0605 117.2043 56.7489 64.5009 173.3092 505 F 4.6640 9.1106 126.2325 58.3970 39.3964 175.2455 506 V 3.6531 8.2723 124.0965 63.8259 31.5442 172.4537 507 K 4.3619 7.9078 117.1780 54.4775 33.8272 176.6383 508 G 2.0000 6.9726 112.1374 43.0871 0.0000 171.9377 509 W 5.0200 7.0225 114.7694 55.1828 31.2130 172.5009 510 G 3.7163 8.8455 103.8767 43.3626 0.0000 172.5284 511 P 4.1673 0.0000 0.0000 66.1303 31.1168 177.8358 512 D 4.4078 7.9840 112.7838 55.3625 40.6831 175.7234 513 Y 4.8010 7.8302 117.7730 55.2845 41.1559 174.7296 514 P 4.2338 0.0000 0.0000 64.1340 32.0090 176.1686 515 S 4.5809 7.5826 114.7934 56.5465 62.1190 174.3255 516 Q 4.2268 9.2840 128.7568 58.1650 28.9865 176.9179 517 S 4.4301 7.6830 110.8718 56.3017 66.0745 174.4958 518 I 2.0000 6.8617 121.8717 63.6394 37.2201 177.4063 519 K 4.0347 6.8248 114.2688 56.6041 32.0276 176.7322 520 E 4.5425 8.0171 117.1231 56.4908 30.4814 175.6429 521 T 4.6088 7.3563 110.6914 59.4362 71.0278 173.9907 522 P 4.4515 0.0000 0.0000 66.1483 32.7058 175.8069 523 C 5.0365 8.0865 116.2624 56.9834 32.1784 173.1128 524 W 6.0223 9.0065 120.9614 54.7338 32.2292 173.7397 525 I 5.3575 9.2084 112.3490 59.2393 41.0601 173.6952 526 E 5.2134 9.4025 125.0261 54.7088 32.1459 174.4434 527 I 4.9634 9.1911 128.4863 60.0175 39.7409 174.3960 528 H 4.8374 9.3188 126.2419 54.6132 30.4081 174.8776 529 L 4.4285 8.5485 124.9117 54.6875 42.0471 177.7637 530 H 4.1735 9.3313 122.6588 58.9945 28.9224 177.6352 531 R 4.0993 8.3402 119.6523 59.8101 29.8364 178.1812 532 A 4.1507 8.0504 119.7711 55.2508 18.2786 179.4521 533 L 4.0306 7.6416 116.2182 57.7901 41.8034 179.6781 534 Q 4.0995 8.1407 118.1423 59.0999 28.7467 178.3698 535 L 3.9658 7.7949 119.6915 58.1274 41.6163 179.5562 536 L 4.0456 8.0351 119.7766 57.6604 41.9650 178.5625 537 D 4.2733 8.2943 118.6564 57.3412 41.0171 177.9714 538 E 4.0351 8.1352 117.1432 59.5114 29.9208 178.8483 539 V 3.7618 7.9574 118.1968 66.3082 31.0996 178.1337 540 L 4.0948 8.1116 118.5118 57.6148 41.1040 178.0513 541 H 4.9616 7.7856 114.5846 55.7876 28.6784 175.4799 542 T 4.6500 7.5051 108.8889 61.4903 69.1238 173.3466 543 M 4.4122 7.4523 120.3045 53.3648 33.2472 174.2391 544 P 4.2066 0.0000 0.0000 62.9406 31.4238 176.0880 545 I 3.5214 8.5097 123.3687 61.3727 37.4989 175.5645 546 A 3.9505 8.5858 127.5275 52.2990 18.3803 176.4232 547 D 4.6890 8.4499 122.9531 51.3135 42.5921 173.2852 548 P 4.8749 0.0000 0.0000 62.9094 31.5540 175.4646 549 Q 4.7506 8.6274 122.8523 53.3921 31.3471 173.8124 550 P 4.6272 0.0000 0.0000 63.1982 31.2001 176.0445 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 285 N 8.41 4.57 0.00 2.85 3.01 0.00 0.00 6.11 6.11 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 0.00 286 G 8.05 3.80 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 0.00 0.00 0.00 287 H 8.16 4.25 0.00 3.20 3.26 0.00 5.66 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 288 L 7.85 4.73 0.00 1.74 1.58 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 289 Q 9.29 4.64 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 2.07 2.31 0.00 290 H 8.72 5.01 0.00 3.06 3.49 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 291 H 9.17 5.01 0.00 3.23 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 292 P 0.00 5.14 0.00 1.83 1.38 0.00 3.80 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.82 0.00 293 P 0.00 4.41 0.00 2.25 2.26 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.02 0.00 294 M 7.94 4.39 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 *312 P 0.00 4.21 0.00 2.07 2.02 0.00 3.68 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 1.93 2.08 0.00 313 P 0.00 4.43 0.00 2.39 2.06 0.00 3.76 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 1.99 1.99 0.00 314 I 8.87 3.92 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.70 0.67 0.00 0.00 315 S 7.47 4.65 0.00 3.90 3.68 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 0.00 0.00 0.00 0.00 316 N 8.61 4.61 0.00 2.76 2.86 0.00 0.00 6.85 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 317 H 7.81 3.96 0.00 3.18 3.23 0.00 5.76 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 318 P 0.00 4.34 0.00 2.24 2.04 0.00 3.61 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 2.01 1.93 0.00 319 A 8.60 4.03 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 0.00 320 P 0.00 4.49 0.00 2.36 2.13 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 321 E 8.85 3.94 0.00 1.81 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 0.00 1.47 1.85 0.00 322 Y 7.62 5.19 0.00 2.82 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 0.00 323 W 8.62 4.94 0.00 3.47 3.31 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 0.00 0.00 0.00 324 C 6.79 5.64 0.00 2.87 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 0.00 325 S 8.26 4.93 0.00 3.73 3.66 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 0.00 326 I 8.77 5.09 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.91 1.18 0.00 0.00 327 A 8.96 5.05 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 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0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.59 7.81 386 G 7.95 3.95 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 0.00 0.00 0.00 387 V 9.03 5.21 2.22 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 0.88 0.00 0.00 1.10 0.00 0.00 388 Q 8.83 5.07 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 389 L 9.12 5.40 0.00 1.96 1.96 1.03 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 390 E 9.40 5.18 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 2.14 2.22 0.00 391 C 8.41 4.91 0.00 1.23 1.67 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 0.00 392 K 8.91 4.28 0.00 1.76 1.59 0.00 0.70 0.00 0.00 1.14 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.14 7.81 393 G 8.64 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 0.00 0.00 0.00 394 E 9.03 4.07 0.00 1.95 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 0.00 2.33 2.33 0.00 395 G 7.56 4.30 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 0.00 396 D 8.31 5.06 0.00 2.93 2.73 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 0.00 397 V 8.80 5.02 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 1.19 0.00 0.00 398 W 9.62 5.06 0.00 3.28 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 0.00 399 V 8.67 5.09 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 1.03 0.00 0.00 1.02 0.00 0.00 400 R 9.13 5.17 0.00 2.22 1.89 0.00 3.13 0.00 0.00 3.02 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 401 C 9.00 4.66 0.00 3.15 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 0.00 402 L 8.71 4.68 0.00 1.94 1.76 1.11 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 403 S 8.37 4.45 0.00 4.14 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 0.00 404 D 8.96 4.60 0.00 2.81 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 0.00 405 H 7.94 4.89 0.00 3.23 3.32 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 406 A 8.33 4.40 0.87 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 0.00 0.00 407 V 8.23 4.80 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 0.84 0.00 0.00 0.85 0.00 0.00 408 F 9.14 4.77 0.00 2.98 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.09 4.51 2.06 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 1.02 0.00 0.00 0.94 0.00 0.00 410 Q 9.65 4.88 0.00 2.47 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 419 G 7.72 3.88 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 0.00 0.00 0.00 420 R 7.82 4.60 0.00 1.73 1.76 0.00 3.12 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 421 A 8.56 3.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 422 P 0.00 4.36 0.00 2.20 2.31 0.00 3.79 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 2.11 2.21 0.00 423 G 8.70 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.14 4.64 0.00 2.59 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 0.00 425 A 6.81 4.19 1.02 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 0.00 0.00 0.00 0.00 0.00 426 V 8.06 3.96 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 0.24 0.00 0.00 -0.26 0.00 0.00 427 H 9.05 4.95 0.00 3.14 3.11 0.00 5.85 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 428 K 8.66 3.80 0.00 1.11 1.37 0.00 1.30 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.30 0.21 7.81 429 I 8.61 4.48 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.77 0.95 0.00 0.00 430 Y 8.81 4.38 0.00 3.04 2.91 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 0.00 0.00 0.00 431 P 0.00 4.41 0.00 2.12 2.29 0.00 3.87 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 2.25 2.31 0.00 432 S 9.38 4.58 0.00 4.00 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 0.00 433 A 8.09 4.16 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 0.00 434 Y 8.97 5.84 0.00 2.95 3.02 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 0.00 0.00 0.00 435 I 7.85 4.38 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.47 0.95 0.00 0.00 436 K 7.31 2.75 0.00 0.79 0.76 0.00 1.48 0.00 0.00 1.43 0.00 0.00 2.37 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.67 0.56 7.81 437 V 8.36 4.47 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 0.63 0.00 0.00 1.00 0.00 0.00 438 F 7.49 4.44 0.00 3.08 2.90 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 0.00 439 D 6.95 4.77 0.00 1.98 2.06 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 0.00 440 L 8.54 3.82 0.00 1.80 1.67 0.97 0.93 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 0.00 441 R 7.99 3.95 0.00 1.98 1.97 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 442 Q 9.12 3.93 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 443 C 8.29 4.06 0.00 2.66 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 506 V 8.27 3.65 2.20 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 0.74 0.00 0.00 1.07 0.00 0.00 507 K 7.91 4.36 0.00 1.71 1.60 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.38 7.81 508 G 6.97 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 0.00 0.00 0.00 0.00 0.00 0.00 509 W 7.02 5.02 0.00 3.42 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 G 8.85 3.72 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 0.00 0.00 0.00 511 P 0.00 4.17 0.00 2.00 2.10 0.00 3.57 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 512 D 7.98 4.41 0.00 2.28 2.25 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 0.00 513 Y 7.83 4.80 0.00 3.08 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 P 0.00 4.23 0.00 2.21 2.20 0.00 3.97 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 515 S 7.58 4.58 0.00 3.99 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 0.00 516 Q 9.28 4.23 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.43 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 517 S 7.68 4.43 0.00 3.63 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 I 6.86 2.00 0.56 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 -0.36 -0.35 0.00 0.00 519 K 6.82 4.03 0.00 1.84 1.53 0.00 1.11 0.00 0.00 2.25 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.08 1.21 7.81 520 E 8.02 4.54 0.00 1.93 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 2.16 2.07 0.00 521 T 7.36 4.61 4.26 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 1.05 0.00 0.00 522 P 0.00 4.45 0.00 2.21 2.41 0.00 3.77 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 2.18 2.04 0.00 523 C 8.09 5.04 0.00 3.40 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 524 W 9.01 6.02 0.00 3.56 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 0.00 525 I 9.21 5.36 2.19 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 1.46 0.95 1.37 0.00 0.00 526 E 9.40 5.21 0.00 2.35 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 2.33 2.39 0.00 527 I 9.19 4.96 1.93 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.76 0.89 0.00 0.00 528 H 9.32 4.84 0.00 3.13 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 529 L 8.55 4.43 0.00 1.52 1.46 0.93 0.01 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 0.00 530 H 9.33 4.17 0.00 3.40 3.43 0.00 5.66 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 0.00 531 R 8.34 4.10 0.00 2.02 2.07 0.00 3.32 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.86 0.00 532 A 8.05 4.15 1.46 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 0.00 0.00 0.00 533 L 7.64 4.03 0.00 1.97 1.76 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 534 Q 8.14 4.10 0.00 2.20 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 535 L 7.79 3.97 0.00 1.95 1.82 0.93 0.39 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 0.00 536 L 8.04 4.05 0.00 1.83 1.85 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 537 D 8.29 4.27 0.00 2.97 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 0.00 538 E 8.14 4.04 0.00 2.18 2.06 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 2.39 2.56 0.00 539 V 7.96 3.76 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 1.03 0.00 0.00 1.05 0.00 0.00 540 L 8.11 4.09 0.00 1.80 1.61 0.89 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 541 H 7.79 4.96 0.00 3.31 3.31 0.00 5.59 0.00 0.00 0.00 0.00 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 542 T 7.51 4.65 4.26 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 1.34 0.00 0.00 543 M 7.45 4.41 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.85 0.00 544 P 0.00 4.21 0.00 2.18 2.11 0.00 3.94 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 2.12 2.00 0.00 545 I 8.51 3.52 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.92 0.00 0.00 546 A 8.59 3.95 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 0.00 547 D 8.45 4.69 0.00 2.58 2.56 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 0.00 0.00 0.00 0.00 548 P 0.00 4.87 0.00 2.11 2.09 0.00 3.40 0.00 0.00 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.83 0.00 549 Q 8.63 4.75 0.00 2.10 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.12 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 550 P 0.00 4.63 0.00 2.10 2.07 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.