NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *459 F 4.5901 8.3131 119.0477 56.7906 38.7231 174.5726 460 G 3.8670 8.4146 114.1578 44.6307 0.0000 169.3990 461 Y 4.4060 7.5338 117.9930 57.8512 39.5764 173.4289 462 W 5.1368 8.2979 118.6250 55.7732 32.0168 172.9387 463 C 4.9634 8.8750 114.5724 57.1644 33.3581 172.4713 464 S 4.8728 8.9346 114.0160 55.9580 65.1796 171.8570 465 P 4.7825 0.0000 0.0000 62.7991 31.9239 176.7927 466 S 4.8948 9.0377 117.6240 57.1389 65.2141 173.5153 467 P 4.1473 0.0000 0.0000 66.2035 30.7836 178.7646 468 E 4.1267 8.1304 115.7846 59.1479 29.7273 178.8625 469 Q 4.1451 7.9824 118.2470 58.8700 28.7166 178.5275 470 L 3.7820 7.9925 120.1783 57.7501 41.2868 179.4330 471 E 4.2096 7.9074 116.9194 58.9298 29.4639 178.6454 472 R 4.3197 7.4498 115.4714 55.6806 30.8690 176.7128 473 L 4.3798 7.2687 119.7916 53.9831 42.5628 177.5923 474 S 4.4239 8.9036 117.0558 57.9703 64.8933 175.3801 475 L 4.0237 8.5837 125.1327 58.6860 41.3973 180.3882 476 K 4.1510 7.9568 122.9295 59.9695 31.7501 181.2219 477 Q 4.2083 8.2626 119.7108 58.6938 28.6675 178.7375 478 L 4.0810 8.3670 119.5779 56.8485 41.4115 178.5394 479 A 4.5702 7.5535 119.0296 52.9239 20.0128 177.3069 480 A 4.7111 7.5045 118.3684 50.5435 18.6346 176.4637 481 V 3.7900 8.8850 123.2646 62.1285 33.1030 176.2744 482 S 5.1135 8.6575 123.8988 57.5616 64.2832 173.4987 483 N 4.2670 8.8002 118.0810 54.3604 36.0481 174.1517 484 F 4.9271 8.2634 120.1995 58.1840 40.9749 174.0978 485 V 4.6533 8.0275 125.0722 61.0823 35.3313 173.6894 486 I 4.2318 8.1824 126.8199 59.1773 41.5253 174.2576 487 G 3.6142 7.3432 115.0285 44.8993 0.0000 171.0251 488 R 4.5659 7.8058 119.4656 54.0926 32.8179 174.9497 489 R 3.9895 8.7658 126.5097 58.3620 30.4309 177.5086 490 G 3.9486 9.2638 110.7601 45.3399 0.0000 172.9357 491 Y 4.3623 9.5861 115.6082 57.9177 40.8559 175.9346 492 G 3.5723 6.6279 104.9169 46.4565 0.0000 169.9326 493 C 4.8614 7.8945 118.4512 58.3852 35.8133 174.1137 494 I 4.7104 8.8610 125.9178 59.7172 39.6737 174.6031 495 T 4.6657 8.5179 124.0226 61.4573 70.7309 173.7173 496 F 4.5163 8.6620 126.3077 57.6488 39.0905 176.2771 497 Q 4.2076 8.9866 121.9914 58.1236 29.2676 175.6029 498 H 5.0790 8.0769 113.5650 53.0713 32.7825 172.4445 499 D 4.7365 8.6407 119.5653 55.6137 41.6614 176.6290 500 V 4.5697 8.9028 115.2407 59.5566 35.8010 174.3208 501 D 5.0196 8.4707 122.0345 52.8885 42.5500 176.0870 502 L 4.9017 8.9258 126.1319 54.6661 42.0776 178.9662 503 T 3.8911 8.2511 111.1669 64.1922 68.6835 175.5086 504 A 3.8195 7.4259 123.6329 53.7992 18.7684 177.6792 505 F 5.1222 7.8582 113.6902 56.5121 39.2378 177.7554 506 T 3.1865 7.6334 114.6735 64.1963 68.8986 176.2433 507 K 3.8002 7.8584 123.6076 56.9588 31.7566 183.0764 508 S 4.2072 7.2886 114.2940 56.0129 65.1390 175.3070 509 F 4.0051 8.3239 129.4111 60.5615 38.9285 177.3100 510 R 2.9900 8.0226 120.0529 60.0898 29.6240 178.9216 511 E 3.9685 7.7998 116.3666 60.9552 29.5921 180.4934 512 E 4.2559 8.5120 119.6488 59.0383 29.6271 179.3021 513 L 4.0293 7.6370 118.6743 56.3832 42.4293 177.0611 514 F 4.0721 7.3742 120.0186 57.7406 37.1987 175.6289 515 G 3.5674 8.4987 114.9149 45.3582 0.0000 172.0226 516 K 4.3997 6.7617 116.9928 55.9891 35.2142 182.1451 517 I 3.9113 8.2255 119.3722 63.1382 38.8071 175.8770 518 V 4.5656 7.7500 122.0607 60.9066 34.3211 174.6906 519 I 5.0186 8.6814 128.4958 59.6641 40.5865 174.3375 520 F 5.0203 9.3290 129.3548 56.8781 39.8639 176.5474 521 R 4.8183 8.6840 124.2455 54.9279 32.0577 174.1556 522 S 4.4536 8.9866 114.7014 62.2702 62.9681 175.9423 523 S 4.2700 8.2830 112.1216 58.4931 62.0860 173.3806 524 K 4.0753 7.9420 117.0165 58.6587 30.1156 174.4373 525 T 5.1315 7.8241 106.1499 59.9125 73.0858 173.1495 526 V 4.7265 8.3797 120.6791 59.7744 34.2288 174.3094 527 E 4.7149 9.0968 124.8587 54.2641 32.5645 174.4003 528 V 4.2612 8.1714 125.8332 61.6093 33.5161 174.9044 529 Y 3.7333 8.5097 126.1547 58.6347 35.1462 169.4335 530 P 4.1832 0.0000 0.0000 64.2427 32.5895 176.5637 531 D 4.7947 7.6114 120.3299 52.4908 41.9832 176.7375 532 E 4.0255 8.8079 126.9635 59.1802 29.8596 179.2370 533 A 4.0501 8.0220 121.3430 54.8783 18.5010 178.5243 534 T 4.0793 7.6987 104.4764 62.9834 69.4896 175.0643 535 K 3.5581 7.4885 124.4067 55.0940 33.4655 174.7828 536 P 4.5075 0.0000 0.0000 62.3127 30.4729 179.5562 *538 I 3.9797 8.5883 116.4764 62.4852 37.5646 175.2853 539 G 4.1102 9.6231 114.2781 45.3580 0.0000 172.7540 540 H 4.9375 8.0989 116.3525 54.4843 32.5217 175.2705 541 G 3.8805 8.2534 110.2239 47.2081 0.0000 174.6078 542 L 4.2958 9.6611 125.0825 54.8703 42.3609 177.1312 543 N 5.2020 8.4859 121.0433 52.2443 37.2365 173.1247 544 V 5.0236 7.6573 114.0322 58.9754 37.7384 173.7651 545 P 4.7553 0.0000 0.0000 63.5107 32.3208 175.5807 546 A 4.8470 8.7296 122.9450 51.1362 23.3448 174.9526 547 I 4.5407 8.4649 120.7038 59.5017 39.9634 175.0411 548 I 4.6710 8.1147 126.7655 59.5614 40.6878 174.4061 549 T 4.8706 8.4694 122.9617 61.7425 70.9289 173.3078 550 L 5.4132 9.2173 126.3625 53.1610 44.5644 175.5629 551 E 4.7897 9.2941 122.1098 55.0724 32.5152 175.4670 552 N 3.8788 8.2828 116.3566 54.4357 36.6029 174.8926 553 V 4.2127 7.9374 118.5617 61.8664 32.1885 174.4451 554 Y 4.7082 8.0747 123.7430 55.0469 41.7465 173.0644 555 P 3.5979 0.0000 0.0000 62.9815 32.4711 175.4011 556 V 4.5312 7.6516 112.4134 59.0438 35.9609 174.9738 557 D 4.2664 8.8515 125.3458 55.4322 41.2691 178.4697 558 K 3.9258 9.0734 129.9686 57.7299 32.1966 175.3346 559 K 4.3704 8.2665 118.3778 56.7504 32.4128 181.2510 560 T 4.1742 8.3869 108.4019 61.3277 69.3380 175.6420 561 K 3.9013 8.4826 122.5643 57.5113 30.3372 176.2259 562 K 4.2984 7.8319 121.5896 53.5455 32.8396 180.1629 563 P 5.1221 0.0000 0.0000 61.0132 31.1351 177.6663 *565 K 3.6253 8.5258 125.1074 56.7224 33.6951 175.7409 566 D 4.6086 7.7799 120.6184 53.4395 39.7285 176.4943 567 T 3.8828 8.2004 115.2872 62.5157 69.2692 176.2622 568 T 4.0563 7.9515 112.6267 64.6660 69.7247 175.5859 569 K 4.4686 8.0842 123.9244 55.5710 30.5317 177.2965 570 F 4.2121 8.2941 124.2408 61.2281 39.8711 175.8753 571 A 4.4429 8.0756 121.3293 54.7342 18.1858 179.3280 572 E 3.8529 8.1569 116.5980 59.5745 29.5505 179.3714 573 F 3.8628 8.1453 117.5098 60.5354 38.7796 177.7829 574 Q 3.9277 8.2195 118.1527 58.6310 28.4690 178.7039 575 V 3.4972 8.0139 119.7123 65.9406 31.5614 177.7644 576 F 3.9897 8.1304 120.1473 61.3881 39.1704 176.3656 577 D 3.9478 8.2860 117.8980 57.4743 40.7252 178.5267 578 R 3.8074 7.8501 119.7849 59.5477 30.2469 179.4330 579 K 3.9266 7.6557 123.4212 59.7820 31.4255 181.4026 580 L 3.7707 6.9911 119.1251 57.4762 41.5103 179.6129 581 R 3.8252 7.7515 117.5591 57.6116 30.0561 176.9303 582 S 4.1904 7.2963 115.4539 57.8574 62.3860 174.3365 *584 R 4.3788 8.3808 124.5035 55.8530 31.7255 174.1623 585 E 4.4209 7.7862 117.5401 55.4282 29.3678 176.6325 *587 N 4.6036 7.7586 115.8616 52.9571 40.6033 175.0835 588 Y 4.5932 8.9988 125.6225 58.6356 39.1042 174.6130 589 I 4.5352 8.1472 125.6660 62.2344 39.4251 175.7936 590 S 4.3044 7.0599 113.4344 57.6605 65.9973 172.9168 591 Y 5.3270 8.4864 121.7014 56.3878 41.7725 173.2987 592 N 4.7240 8.5612 126.0411 51.1826 40.2343 173.7330 593 P 3.7831 0.0000 0.0000 64.9225 31.5741 175.9863 594 F 4.5611 7.7791 117.2576 58.2697 37.5355 175.0116 595 G 4.0167 9.3786 114.3202 44.0985 0.0000 171.5361 596 G 3.0156 7.3741 106.4876 46.6648 0.0000 174.3154 597 T 4.9712 7.7382 115.9586 61.7746 70.7140 175.2362 598 W 5.5952 9.3943 135.0000 55.9938 33.2764 174.5857 599 T 5.0988 9.1595 124.1537 61.7866 71.4197 173.0789 600 F 5.1756 8.2025 119.3321 55.8030 41.7907 172.5448 601 K 4.8487 8.9681 121.5909 54.7845 34.0248 175.6659 602 V 4.4871 8.3917 119.5536 59.7682 34.6811 176.3627 603 N 4.4903 8.4791 119.2836 54.3753 39.1518 174.3870 604 H 4.7323 6.4981 110.3828 56.2195 30.7312 173.5234 605 F 4.9189 9.6896 117.5523 57.3595 39.5048 175.7276 606 E 4.2615 8.7932 125.2970 56.8462 29.2766 177.1291 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 *459 F 8.31 4.59 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 460 G 8.41 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 0.00 461 Y 7.53 4.41 0.00 2.37 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 462 W 8.30 5.14 0.00 3.35 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 463 C 8.87 4.96 0.00 2.95 3.07 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 0.00 464 S 8.93 4.87 0.00 4.11 3.86 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 0.00 465 P 0.00 4.78 0.00 2.10 2.02 0.00 4.04 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 466 S 9.04 4.89 0.00 4.15 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 0.00 467 P 0.00 4.15 0.00 2.22 2.15 0.00 3.75 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 468 E 8.13 4.13 0.00 1.96 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 2.35 2.50 0.00 469 Q 7.98 4.15 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 470 L 7.99 3.78 0.00 1.07 0.32 0.37 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 471 E 7.91 4.21 0.00 2.21 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 0.00 2.58 2.85 0.00 472 R 7.45 4.32 0.00 1.77 1.98 0.00 3.34 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.81 0.00 473 L 7.27 4.38 0.00 1.75 1.58 0.84 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 474 S 8.90 4.42 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.58 4.02 0.00 1.63 1.78 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 476 K 7.96 4.15 0.00 1.76 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.10 7.81 477 Q 8.26 4.21 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 478 L 8.37 4.08 0.00 1.83 1.75 1.10 0.93 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 0.00 479 A 7.55 4.57 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 0.00 480 A 7.50 4.71 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 481 V 8.88 3.79 1.90 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 0.97 0.00 0.00 0.88 0.00 0.00 482 S 8.66 5.11 0.00 3.83 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 483 N 8.80 4.27 0.00 2.95 2.98 0.00 0.00 6.93 7.45 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 0.00 484 F 8.26 4.93 0.00 3.11 3.01 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 0.00 0.00 0.00 485 V 8.03 4.65 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 0.83 0.00 0.00 0.99 0.00 0.00 486 I 8.18 4.23 1.54 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.92 0.00 0.00 487 G 7.34 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 0.00 488 R 7.81 4.57 0.00 0.67 0.76 0.00 2.21 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.53 0.00 489 R 8.77 3.99 0.00 1.83 1.87 0.00 3.11 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 490 G 9.26 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 0.00 491 Y 9.59 4.36 0.00 2.75 3.01 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 0.00 0.00 0.00 492 G 6.63 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 493 C 7.89 4.86 0.00 3.00 2.68 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 0.00 494 I 8.86 4.71 1.63 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.95 0.15 0.00 0.00 495 T 8.52 4.67 4.10 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 0.00 0.00 1.18 0.00 0.00 496 F 8.66 4.52 0.00 3.27 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 0.00 497 Q 8.99 4.21 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 498 H 8.08 5.08 0.00 3.19 3.23 0.00 5.72 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 0.00 499 D 8.64 4.74 0.00 2.63 2.63 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 0.00 500 V 8.90 4.57 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.63 0.00 0.00 501 D 8.47 5.02 0.00 2.79 2.51 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 0.00 502 L 8.93 4.90 0.00 1.63 1.83 0.06 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 503 T 8.25 3.89 4.18 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 1.25 0.00 0.00 504 A 7.43 3.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 F 7.86 5.12 0.00 3.17 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 0.00 506 T 7.63 3.19 4.10 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 0.00 0.00 1.27 0.00 0.00 507 K 7.86 3.80 0.00 1.79 1.79 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.02 7.81 508 S 7.29 4.21 0.00 3.87 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 0.00 509 F 8.32 4.01 0.00 3.07 2.96 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 0.00 510 R 8.02 2.99 0.00 1.74 1.80 0.00 3.19 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.36 0.00 511 E 7.80 3.97 0.00 2.13 1.85 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 2.26 2.22 0.00 512 E 8.51 4.26 0.00 1.90 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 0.00 2.26 2.40 0.00 513 L 7.64 4.03 0.00 1.56 1.73 0.96 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 514 F 7.37 4.07 0.00 2.92 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.76 4.40 0.00 1.75 1.58 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 0.98 7.81 517 I 8.23 3.91 1.52 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.27 0.00 0.00 518 V 7.75 4.57 2.16 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 0.91 0.00 0.00 0.73 0.00 0.00 519 I 8.68 5.02 1.85 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 1.23 0.57 0.97 0.00 0.00 520 F 9.33 5.02 0.00 2.48 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 521 R 8.68 4.82 0.00 1.50 1.77 0.00 3.27 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 522 S 8.99 4.45 0.00 3.97 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 0.00 523 S 8.28 4.27 0.00 3.91 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.94 4.08 0.00 2.08 2.02 0.00 1.83 0.00 0.00 2.00 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.71 7.81 525 T 7.82 5.13 4.34 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 1.38 0.00 0.00 526 V 8.38 4.73 1.63 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 0.69 0.00 0.00 -0.32 0.00 0.00 527 E 9.10 4.71 0.00 1.99 1.76 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 0.00 2.21 2.25 0.00 528 V 8.17 4.26 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 0.28 0.00 0.00 0.06 0.00 0.00 529 Y 8.51 3.73 0.00 3.20 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 0.00 530 P 0.00 4.18 0.00 2.20 2.41 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 531 D 7.61 4.79 0.00 2.72 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 0.00 532 E 8.81 4.03 0.00 2.05 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 2.43 2.28 0.00 533 A 8.02 4.05 1.34 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 0.00 0.00 534 T 7.70 4.08 4.32 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 1.29 0.00 0.00 535 K 7.49 3.56 0.00 1.89 1.78 0.00 1.94 0.00 0.00 1.79 0.00 0.00 3.27 0.00 0.00 3.54 0.00 0.00 0.00 0.00 1.35 1.28 7.81 536 P 0.00 4.51 0.00 2.13 1.00 0.00 2.30 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 *538 I 8.59 3.98 1.87 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.49 0.96 0.00 0.00 539 G 9.62 4.11 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 0.00 0.00 0.00 540 H 8.10 4.94 0.00 3.19 3.18 0.00 5.97 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 0.00 541 G 8.25 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 0.00 542 L 9.66 4.30 0.00 1.58 1.72 0.68 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 543 N 8.49 5.20 0.00 3.04 2.99 0.00 0.00 6.94 7.02 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 0.00 544 V 7.66 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 1.06 0.00 0.00 1.33 0.00 0.00 545 P 0.00 4.76 0.00 2.14 1.99 0.00 3.83 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 546 A 8.73 4.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.46 4.54 1.71 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 1.08 0.57 0.77 0.00 0.00 548 I 8.11 4.67 0.56 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 0.97 0.28 0.62 0.00 0.00 549 T 8.47 4.87 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 550 L 9.22 5.41 0.00 1.87 1.81 1.20 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 551 E 9.29 4.79 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 552 N 8.28 3.88 0.00 2.92 3.08 0.00 0.00 6.83 7.73 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 0.00 553 V 7.94 4.21 2.54 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 0.96 0.00 0.00 1.35 0.00 0.00 554 Y 8.07 4.71 0.00 2.88 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 P 0.00 3.60 0.00 1.63 1.51 0.00 3.18 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.03 0.00 556 V 7.65 4.53 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 0.70 0.00 0.00 0.87 0.00 0.00 557 D 8.85 4.27 0.00 2.75 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 0.00 558 K 9.07 3.93 0.00 1.81 1.72 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.01 7.81 559 K 8.27 4.37 0.00 1.76 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 0.98 7.81 560 T 8.39 4.17 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 561 K 8.48 3.90 0.00 1.92 1.96 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.52 7.81 562 K 7.83 4.30 0.00 1.70 1.69 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.28 7.81 563 P 0.00 5.12 0.00 1.96 2.02 0.00 3.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 *565 K 8.53 3.63 0.00 1.50 1.30 0.00 1.55 0.00 0.00 1.28 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.07 7.81 566 D 7.78 4.61 0.00 2.77 2.63 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 0.00 567 T 8.20 3.88 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 0.43 0.00 0.00 568 T 7.95 4.06 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 1.32 0.00 0.00 569 K 8.08 4.47 0.00 2.20 1.90 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.44 7.81 570 F 8.29 4.21 0.00 3.18 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 0.00 571 A 8.08 4.44 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 E 8.16 3.85 0.00 2.11 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 573 F 8.15 3.86 0.00 3.01 3.01 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 0.00 0.00 0.00 574 Q 8.22 3.93 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.22 2.06 0.00 575 V 8.01 3.50 2.18 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 0.95 0.00 0.00 0.94 0.00 0.00 576 F 8.13 3.99 0.00 2.92 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 0.00 577 D 8.29 3.95 0.00 2.95 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 0.00 578 R 7.85 3.81 0.00 1.86 1.85 0.00 3.16 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 579 K 7.66 3.93 0.00 1.79 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.36 7.81 580 L 6.99 3.77 0.00 1.42 1.45 -0.55 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 581 R 7.75 3.83 0.00 1.54 1.62 0.00 2.81 0.00 0.00 2.91 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.63 0.00 582 S 7.30 4.19 0.00 3.88 3.94 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 *584 R 8.38 4.38 0.00 1.88 1.93 0.00 3.25 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.23 0.00 585 E 7.79 4.42 0.00 1.93 1.93 0.00 0.00 0.00 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 2.25 0.00 *587 N 7.76 4.60 0.00 2.81 2.88 0.00 0.00 6.61 7.48 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 0.00 588 Y 9.00 4.59 0.00 3.17 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 0.00 589 I 8.15 4.54 1.82 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 1.28 0.94 0.86 0.00 0.00 590 S 7.06 4.30 0.00 3.83 3.85 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 0.00 591 Y 8.49 5.33 0.00 3.01 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 N 8.56 4.72 0.00 2.74 2.55 0.00 0.00 6.79 7.88 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 0.00 593 P 0.00 3.78 0.00 1.14 1.28 0.00 3.55 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.11 0.00 594 F 7.78 4.56 0.00 3.15 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 G 9.38 4.02 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 0.00 596 G 7.37 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 0.00 0.00 0.00 597 T 7.74 4.97 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 1.24 0.00 0.00 598 W 9.39 5.60 0.00 3.67 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 0.00 599 T 9.16 5.10 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 1.06 0.00 0.00 600 F 8.20 5.18 0.00 3.10 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 601 K 8.97 4.85 0.00 1.66 1.69 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.43 7.81 602 V 8.39 4.49 1.88 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 0.66 0.00 0.00 0.20 0.00 0.00 603 N 8.48 4.49 0.00 2.58 2.88 0.00 0.00 6.83 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 0.00 604 H 6.50 4.73 0.00 3.55 3.37 0.00 5.27 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 605 F 9.69 4.92 0.00 3.15 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 0.00 606 E 8.79 4.26 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.