NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 460 Y 4.3031 8.1444 121.6854 57.3641 39.9776 173.8370 461 K 4.2814 7.1644 123.6283 53.6982 34.7333 170.7621 462 E 5.5959 9.0900 127.5960 56.6007 32.4184 176.9551 463 E 4.6661 7.8272 121.0466 56.3278 28.6510 179.0666 464 D 4.6970 8.6895 124.2026 55.3000 39.3156 175.5972 465 S 4.7425 7.6278 113.4749 56.9261 65.4807 173.2318 466 T 4.5562 8.5004 117.0675 61.3970 69.1445 173.9157 467 V 4.1889 7.2631 121.9421 62.4108 32.5234 174.9684 468 S 4.5581 8.0227 119.4420 57.7788 65.0358 174.6754 469 I 3.9850 8.2708 122.3523 59.9001 37.4519 175.5052 470 L 3.9595 8.6020 127.9507 54.5919 41.9301 175.5536 471 P 4.2958 0.0000 0.0000 65.9282 31.1634 178.1383 472 T 4.1317 7.8727 107.2155 62.9789 69.0424 175.0515 473 S 4.4652 7.9608 116.2411 59.2133 64.0648 175.3415 474 L 4.0997 7.5384 122.9732 54.0384 43.0456 175.8331 475 P 4.2580 0.0000 0.0000 66.5698 31.0133 178.9242 476 Q 4.0271 8.0169 117.4689 58.3427 28.6052 178.6370 477 I 3.7081 7.6437 120.4283 64.7395 37.3631 177.8486 478 H 4.1135 8.4859 119.2730 59.1708 29.6391 177.2628 479 R 3.9071 8.1940 120.3466 58.8370 29.8444 178.3583 480 A 4.0406 7.7002 120.5919 55.0002 18.6310 179.2752 481 N 4.3913 8.3734 115.2357 56.7090 37.4876 177.6133 482 M 4.0546 8.0334 120.1755 58.1801 31.9006 178.8569 483 L 4.0623 7.7242 118.6434 57.7337 41.6452 179.3576 484 A 3.9769 8.3395 119.7422 54.9965 18.3346 179.1492 485 Q 4.1555 7.8703 115.3036 56.5282 28.8778 177.2819 486 G 3.9006 8.0143 107.7672 45.7517 0.0000 173.9341 487 S 4.1742 7.3741 113.7268 57.9825 63.0999 173.8409 488 P 4.4521 0.0000 0.0000 64.5155 31.7495 177.2837 489 A 4.1684 8.0129 122.3582 54.6870 19.0565 179.1941 490 A 3.9717 7.4140 116.5588 54.9039 18.3996 178.4836 491 S 4.4642 7.9777 108.0653 59.0421 63.7889 174.8067 492 K 4.3688 7.9438 120.0660 57.2536 33.3397 177.0610 493 I 3.9477 7.6679 119.6688 61.0801 37.6164 175.2851 494 S 4.8329 8.2847 120.7352 55.5451 65.5504 172.4037 495 P 4.3786 0.0000 0.0000 62.6207 31.6644 175.9092 496 L 4.2765 8.1035 121.4757 54.8398 42.8721 175.5859 497 V 4.4688 7.7123 120.6379 60.8729 34.8619 174.1804 498 T 3.9311 8.2208 118.2442 63.3031 70.3226 173.8388 *503 T 4.1131 8.7424 120.2112 63.2881 68.8555 176.2372 504 R 4.4442 8.7426 127.8460 54.6572 31.2006 176.2727 505 W 4.7323 8.5974 123.0661 56.0550 30.2964 175.7154 506 H 5.0292 8.7642 118.0427 53.6894 31.6056 173.3179 507 F 4.2915 9.0874 125.9617 59.1996 40.8129 176.2093 508 G 3.8725 8.1577 116.5320 47.0281 0.0000 173.2365 509 I 4.8865 9.0564 122.7579 59.5166 41.4734 174.1958 510 R 5.2178 8.5664 123.2242 54.9729 32.6960 175.6793 511 S 4.6329 8.7249 115.9566 57.1171 66.3745 174.5566 512 R 4.6405 8.6700 123.3110 56.3873 29.6154 176.4452 513 S 4.7772 7.3410 114.7757 57.7625 64.3183 173.5460 514 Y 4.1547 8.9023 119.5961 57.4260 37.8434 177.0292 515 P 4.6604 0.0000 0.0000 62.0600 30.9128 177.0058 516 L 4.7935 9.8672 117.4597 55.4851 46.2057 178.8456 517 D 4.4522 8.4013 118.5055 57.1526 41.0503 178.3713 518 V 3.6459 7.8281 118.1381 66.5141 30.7492 177.4721 519 M 4.1894 8.3577 117.2746 58.3303 31.9207 177.9831 520 G 3.9794 7.6283 104.2292 47.0755 0.0000 175.6709 521 E 4.0280 8.6974 121.3667 59.3086 29.3742 179.6637 522 I 3.7182 7.8471 119.6415 64.6735 37.1164 178.1473 523 Y 3.0284 7.2456 117.8881 60.6090 37.6480 178.8453 524 I 3.6859 7.8890 120.5459 64.3669 37.3050 178.0237 525 A 4.0144 8.7085 122.6734 55.4150 18.1405 179.7672 526 L 3.7382 8.4689 118.1381 57.7009 41.4887 179.7880 527 K 4.4273 8.1895 117.8626 60.1261 32.6074 178.8149 528 N 4.5375 8.0831 117.1205 56.1100 38.3506 178.6228 529 L 4.3854 7.5599 116.4328 54.4399 41.4979 177.4872 530 G 3.8066 8.2159 105.1624 46.2921 0.0000 174.1404 531 A 4.0969 7.8174 121.2042 50.8035 19.5292 177.6798 532 E 4.3931 8.7530 118.7895 54.2273 32.7164 175.0376 533 W 5.4111 7.5337 118.7275 54.9101 31.7008 173.6323 534 A 4.8418 8.3652 121.8318 50.0842 20.7362 176.6599 535 K 4.2963 8.5892 121.3350 55.9291 33.3629 176.8658 536 P 4.6196 0.0000 0.0000 64.2235 31.2939 178.3435 537 S 4.3494 8.5409 111.8386 59.8691 59.4111 169.8680 *541 L 3.9965 7.2959 120.1667 54.6342 42.6220 176.2836 542 W 4.5987 8.3721 129.5919 57.5611 29.0570 176.1456 543 T 5.1141 7.9375 114.5041 61.8385 72.2676 173.9428 544 I 4.4378 8.6168 125.0182 59.6999 40.5654 175.0798 545 K 5.1062 8.8775 127.6461 54.6529 31.8954 175.3821 546 L 4.9546 8.4852 125.2138 54.4015 43.7982 175.5774 547 R 5.4094 9.5778 120.3804 54.8537 33.3276 173.9939 548 W 4.6071 8.0524 133.5446 57.4405 32.8070 174.2742 549 K 5.0199 8.8543 124.3118 55.2016 34.6630 175.0014 *564 D 4.5947 8.1761 118.0601 54.3226 41.9009 175.1837 565 L 5.3078 8.4601 120.7293 53.4443 46.2306 175.1030 566 M 4.0451 9.6167 122.4017 53.7301 35.1446 174.6204 567 K 4.9132 8.0696 121.7819 54.9372 35.7263 175.3608 568 M 5.2407 8.7669 122.3722 53.7785 37.2255 174.9373 569 V 5.2942 8.5004 119.1753 60.8218 34.1444 174.4424 570 I 4.4138 8.2206 128.5818 61.0870 39.0784 174.9702 571 Q 5.0009 8.5251 121.5639 54.8310 33.5457 173.2882 572 L 5.1798 8.0141 123.8688 53.6611 44.5191 175.3035 573 F 4.8453 9.0926 122.1839 55.8240 44.0092 173.8444 574 Q 4.5175 8.6469 120.9894 55.7208 29.8887 174.9767 *578 N 4.3833 8.1365 119.6880 53.4705 39.8513 172.5451 579 N 4.8721 7.8545 113.3348 51.7750 41.5796 174.0164 580 Y 5.0855 8.3122 118.1819 56.1996 42.6200 174.1098 581 L 5.3516 8.8856 123.7160 53.3215 45.8401 175.1990 582 V 4.9680 8.9459 124.9872 61.3357 34.2961 173.6230 583 D 5.2988 9.2387 127.4057 52.4642 44.4483 174.2926 584 F 5.3633 8.5495 122.6106 55.6239 41.5677 175.0280 585 K 4.5581 8.6095 124.2332 54.1594 34.6772 175.0203 586 F 4.1745 8.3115 130.3900 57.8145 39.8860 174.3479 587 D 4.4160 8.1485 127.3717 53.8567 41.0256 176.3444 588 G 3.5896 5.6757 107.8218 44.1125 0.0000 172.5160 589 W 5.2339 8.1782 116.8111 55.5388 32.6644 176.1066 590 E 5.0047 8.4916 116.1469 55.5102 31.9120 175.7846 591 S 4.2450 8.4112 116.1585 60.8742 63.7282 175.4084 *606 E 3.9367 7.8691 120.5826 55.7796 29.9082 175.6492 607 M 3.2913 8.0539 121.6705 57.1082 32.0469 178.3806 608 S 4.6918 7.8658 113.9512 62.2723 63.3206 176.0569 609 T 4.1570 7.9476 118.8028 66.5598 68.2869 176.8644 610 F 4.5632 7.8261 118.5244 59.4846 39.0860 175.6836 611 S 4.9439 7.9926 113.2115 57.2907 63.9355 176.3046 612 A 3.8219 8.2743 125.4771 56.5532 18.1300 179.3640 613 Y 3.9482 7.9220 114.6125 60.3151 38.2770 176.2779 614 P 4.3892 0.0000 0.0000 65.0493 31.4427 178.5176 615 F 3.9899 7.7019 118.4885 61.3362 39.2439 177.3055 616 L 3.5086 7.5331 117.9611 57.5814 41.1824 179.2308 617 H 4.1685 8.1375 118.3434 59.1823 29.8535 177.3174 618 L 3.3469 7.2421 120.4391 57.7796 41.4683 179.7060 619 T 3.6871 7.1643 109.1841 64.4156 68.2873 176.6804 620 T 3.7783 7.1516 119.3095 66.5351 68.4918 176.9554 621 K 3.9906 7.9992 120.5463 59.3326 31.8426 179.2061 622 L 4.1754 8.4688 121.1239 57.9114 41.9428 179.1226 623 I 3.8739 7.4861 119.6655 64.1663 37.1498 177.6882 624 M 3.9752 8.1499 119.2159 58.7768 32.0005 177.7054 625 E 3.9362 7.9673 118.8697 59.3377 29.7743 178.6428 626 L 3.9567 7.6279 117.1427 58.1910 41.5349 178.7920 627 A 3.9359 7.8701 118.5433 55.9382 18.2724 179.5505 628 V 3.7452 7.7045 109.4189 64.7806 31.9216 178.5257 629 N 4.4788 8.2829 114.9435 55.5566 38.3984 175.8331 630 S 4.5319 8.4122 119.7793 58.5016 63.5888 173.8003 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 460 Y 8.14 4.30 0.00 2.98 2.92 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 0.00 0.00 0.00 461 K 7.16 4.28 0.00 1.82 1.61 0.00 1.93 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.20 1.57 7.81 462 E 9.09 5.60 0.00 2.24 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 2.30 2.17 0.00 463 E 7.83 4.67 0.00 1.99 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 2.27 2.23 0.00 464 D 8.69 4.70 0.00 2.64 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 0.00 465 S 7.63 4.74 0.00 3.83 3.79 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 0.00 466 T 8.50 4.56 4.25 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 1.22 0.00 0.00 467 V 7.26 4.19 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 0.83 0.00 0.00 0.94 0.00 0.00 468 S 8.02 4.56 0.00 4.02 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 0.00 469 I 8.27 3.98 1.92 0.00 0.00 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 1.31 0.58 0.93 0.00 0.00 470 L 8.60 3.96 0.00 1.73 1.60 0.93 0.92 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 0.00 471 P 0.00 4.30 0.00 2.26 2.32 0.00 3.76 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 472 T 7.87 4.13 4.27 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 1.22 0.00 0.00 473 S 7.96 4.47 0.00 3.99 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 0.00 474 L 7.54 4.10 0.00 1.80 1.65 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 475 P 0.00 4.26 0.00 2.27 2.33 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 2.09 2.08 0.00 476 Q 8.02 4.03 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 477 I 7.64 3.71 1.89 0.00 0.00 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 1.53 0.68 0.96 0.00 0.00 478 H 8.49 4.11 0.00 3.45 3.42 0.00 5.59 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 0.00 479 R 8.19 3.91 0.00 2.10 2.10 0.00 3.15 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 480 A 7.70 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.37 4.39 0.00 2.68 2.85 0.00 0.00 7.06 8.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 482 M 8.03 4.05 0.00 1.99 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 2.47 2.49 0.00 483 L 7.72 4.06 0.00 1.83 1.70 0.91 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 484 A 8.34 3.98 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 0.00 485 Q 7.87 4.16 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.16 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 486 G 8.01 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 0.00 0.00 0.00 487 S 7.37 4.17 0.00 3.88 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 0.00 488 P 0.00 4.45 0.00 2.17 2.17 0.00 3.75 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 1.98 1.96 0.00 489 A 8.01 4.17 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 0.00 0.00 490 A 7.41 3.97 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 0.00 491 S 7.98 4.46 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 0.00 492 K 7.94 4.37 0.00 1.74 1.88 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.52 7.81 493 I 7.67 3.95 1.88 0.00 0.00 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 1.42 0.65 0.92 0.00 0.00 494 S 8.28 4.83 0.00 3.82 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 0.00 495 P 0.00 4.38 0.00 2.18 2.06 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 496 L 8.10 4.28 0.00 1.61 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 497 V 7.71 4.47 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 498 T 8.22 3.93 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 1.20 0.00 0.00 *503 T 8.74 4.11 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 1.11 0.00 0.00 504 R 8.74 4.44 0.00 1.89 1.89 0.00 2.96 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 505 W 8.60 4.73 0.00 3.36 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 0.00 506 H 8.76 5.03 0.00 3.15 3.30 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 F 9.09 4.29 0.00 2.93 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 0.00 508 G 8.16 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 0.00 509 I 9.06 4.89 2.05 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 1.36 1.08 1.01 0.00 0.00 510 R 8.57 5.22 0.00 1.73 1.87 0.00 3.34 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 511 S 8.72 4.63 0.00 3.98 3.76 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 0.00 0.00 0.00 512 R 8.67 4.64 0.00 1.95 2.17 0.00 3.08 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 513 S 7.34 4.78 0.00 4.12 4.04 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 0.00 514 Y 8.90 4.15 0.00 3.35 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 0.00 515 P 0.00 4.66 0.00 2.05 1.34 0.00 3.64 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.57 0.00 516 L 9.87 4.79 0.00 1.74 1.68 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 517 D 8.40 4.45 0.00 2.77 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 0.00 518 V 7.83 3.65 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 1.08 0.00 0.00 1.01 0.00 0.00 519 M 8.36 4.19 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.73 0.00 520 G 7.63 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 0.00 0.00 0.00 521 E 8.70 4.03 0.00 2.20 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 2.36 2.56 0.00 522 I 7.85 3.72 1.65 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 1.54 1.00 0.67 0.00 0.00 523 Y 7.25 3.03 0.00 3.01 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 0.00 524 I 7.89 3.69 2.11 0.00 0.00 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 1.48 1.31 0.93 0.00 0.00 525 A 8.71 4.01 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 0.00 526 L 8.47 3.74 0.00 1.43 1.67 0.51 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 527 K 8.19 4.43 0.00 2.17 2.62 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.68 1.57 7.81 528 N 8.08 4.54 0.00 2.96 2.90 0.00 0.00 6.94 6.04 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 0.00 529 L 7.56 4.39 0.00 1.14 1.47 1.13 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 530 G 8.22 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 0.00 0.00 0.00 531 A 7.82 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 532 E 8.75 4.39 0.00 1.82 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 2.22 2.28 0.00 533 W 7.53 5.41 0.00 3.33 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 0.00 534 A 8.37 4.84 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 535 K 8.59 4.30 0.00 1.78 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 536 P 0.00 4.62 0.00 1.99 1.84 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 537 S 8.54 4.35 0.00 3.85 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *541 L 7.30 4.00 0.00 1.60 1.62 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 542 W 8.37 4.60 0.00 3.16 3.10 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 0.00 543 T 7.94 5.11 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 1.28 0.00 0.00 544 I 8.62 4.44 1.69 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.87 0.58 0.00 0.00 545 K 8.88 5.11 0.00 1.81 1.80 0.00 1.56 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.49 7.81 546 L 8.49 4.95 0.00 2.04 1.96 1.20 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 547 R 9.58 5.41 0.00 1.83 1.93 0.00 3.31 0.00 0.00 3.05 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 548 W 8.05 4.61 0.00 3.60 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 0.00 549 K 8.85 5.02 0.00 2.05 1.95 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.57 7.81 *564 D 8.18 4.59 0.00 2.75 2.81 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 0.00 565 L 8.46 5.31 0.00 1.75 1.69 1.03 0.90 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 0.00 566 M 9.62 4.05 0.00 1.74 1.12 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 1.46 2.31 0.00 567 K 8.07 4.91 0.00 1.70 1.53 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.30 7.81 568 M 8.77 5.24 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.94 0.00 569 V 8.50 5.29 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 1.19 0.00 0.00 0.93 0.00 0.00 570 I 8.22 4.41 1.66 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.47 0.06 0.00 0.00 571 Q 8.53 5.00 0.00 2.18 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 572 L 8.01 5.18 0.00 1.68 1.51 1.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 573 F 9.09 4.85 0.00 2.90 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 0.00 574 Q 8.65 4.52 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 *578 N 8.14 4.38 0.00 2.58 2.15 0.00 0.00 6.87 7.79 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 0.00 579 N 7.85 4.87 0.00 2.41 2.54 0.00 0.00 6.54 7.46 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 0.00 580 Y 8.31 5.09 0.00 2.92 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 0.00 581 L 8.89 5.35 0.00 1.80 1.59 1.11 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 582 V 8.95 4.97 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 0.75 0.00 0.00 0.98 0.00 0.00 583 D 9.24 5.30 0.00 2.85 2.61 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 0.00 584 F 8.55 5.36 0.00 2.93 3.16 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 0.00 0.00 0.00 0.00 585 K 8.61 4.56 0.00 1.81 1.67 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.26 1.35 7.81 586 F 8.31 4.17 0.00 1.51 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 0.00 0.00 0.00 0.00 587 D 8.15 4.42 0.00 2.38 2.32 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 0.00 588 G 5.68 3.59 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 0.00 0.00 0.00 589 W 8.18 5.23 0.00 3.24 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 0.00 590 E 8.49 5.00 0.00 1.94 1.89 0.00 0.00 0.00 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 2.23 0.00 591 S 8.41 4.24 0.00 4.04 4.39 0.00 0.00 0.00 0.00 0.00 0.00 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 7.87 3.94 0.00 2.02 1.86 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 2.25 2.26 0.00 607 M 8.05 3.29 0.00 2.16 1.81 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.71 0.00 608 S 7.87 4.69 0.00 3.92 4.04 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 0.00 609 T 7.95 4.16 4.57 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 1.35 0.00 0.00 610 F 7.83 4.56 0.00 3.20 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 S 7.99 4.94 0.00 4.31 4.65 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 0.00 612 A 8.27 3.82 1.11 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 0.00 613 Y 7.92 3.95 0.00 3.15 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 0.00 614 P 0.00 4.39 0.00 2.45 2.34 0.00 3.82 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 615 F 7.70 3.99 0.00 2.52 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 0.00 616 L 7.53 3.51 0.00 1.61 1.56 0.59 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 617 H 8.14 4.17 0.00 3.25 3.38 0.00 5.61 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 0.00 618 L 7.24 3.35 0.00 1.13 0.48 -0.19 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 619 T 7.16 3.69 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 0.17 0.00 0.00 620 T 7.15 3.78 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 1.19 0.00 0.00 621 K 8.00 3.99 0.00 1.93 1.99 0.00 1.64 0.00 0.00 1.41 0.00 0.00 3.03 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.48 1.45 7.81 622 L 8.47 4.18 0.00 1.99 1.80 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 623 I 7.49 3.87 2.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.41 0.90 0.00 0.00 624 M 8.15 3.98 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 625 E 7.97 3.94 0.00 2.13 1.98 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 2.33 2.43 0.00 626 L 7.63 3.96 0.00 2.02 1.75 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 627 A 7.87 3.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 628 V 7.70 3.75 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 0.83 0.00 0.00 1.02 0.00 0.00 629 N 8.28 4.48 0.00 2.92 2.90 0.00 0.00 7.05 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 0.00 630 S 8.41 4.53 0.00 3.99 4.03 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 * Residues marked with a * may have inaccurate shift predictions.