NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 503 A 4.3931 8.2649 123.5824 52.1169 19.9762 177.7251 504 E 4.0518 8.3605 120.5797 58.6150 30.2339 176.3497 505 K 4.5607 8.5482 118.6084 55.6391 36.2288 175.4557 506 A 5.2648 7.8086 119.6832 50.3845 22.2383 175.9357 507 V 4.5042 8.8783 120.1158 59.7747 35.2289 174.3305 508 L 4.9555 8.6127 125.0361 53.9484 43.1327 175.2426 509 I 4.2263 9.0357 128.5262 61.1429 38.9878 175.3409 510 G 3.7901 8.7964 111.9841 44.1887 0.0000 172.3357 511 E 4.3167 8.4253 119.3514 55.5221 30.5895 176.6973 512 K 3.9970 8.8551 122.7186 59.1959 32.3326 176.9537 513 E 4.4887 7.8620 117.2726 54.8201 30.8980 174.5527 514 A 4.6365 8.0092 125.8326 50.9074 22.1056 175.8111 515 D 4.5934 8.6873 120.7910 57.0197 41.5793 177.6507 516 I 4.4199 7.7966 117.8234 59.5444 41.0789 175.0068 517 T 5.3044 8.1612 122.8501 60.9594 70.0227 174.0890 518 F 4.5493 8.8890 126.2427 57.2800 40.5030 175.0313 519 V 5.0490 8.3814 120.9946 61.7642 34.3176 174.2941 520 T 4.9068 8.7325 120.6888 61.6804 71.3732 171.3023 521 W 5.2072 8.3164 118.6108 55.0651 30.7347 177.0898 522 G 3.4452 9.0662 108.6829 46.8645 0.0000 177.1395 523 S 4.1757 8.1447 116.8421 60.4722 63.5347 175.1263 524 Q 4.1047 7.5930 118.8239 55.9939 29.1390 177.1699 525 K 3.8411 7.8331 119.8595 59.6162 32.1529 178.8159 526 G 3.4565 7.8402 105.0911 47.3227 0.0000 173.3903 527 P 4.3430 0.0000 0.0000 65.4355 31.2401 178.6580 528 I 3.2853 7.5458 118.2681 64.2639 36.8401 178.4700 529 L 3.9381 7.7132 119.7314 57.9160 41.4010 179.3853 530 D 4.3168 7.9893 118.7611 57.2625 40.6270 178.9736 531 V 3.5682 7.5435 118.6699 65.7981 31.3201 177.9098 532 I 3.7834 8.0179 120.0969 64.7063 36.7729 178.2196 533 E 3.9828 7.6279 117.9106 59.4683 29.4720 178.6710 534 D 4.5229 8.2114 118.9408 57.4630 40.8236 178.8824 535 L 4.0288 8.2551 119.5643 57.8257 41.5403 179.5163 536 K 3.8826 7.9121 118.2792 59.8091 31.7551 179.0873 537 E 4.0054 7.9240 117.6360 58.6209 29.3470 178.1841 538 E 4.5844 7.8667 115.8468 55.3362 29.9238 176.0810 539 G 3.8867 8.0893 106.7979 46.3521 0.0000 173.4061 540 I 4.7092 7.8510 120.5102 59.2180 38.8950 175.6239 541 S 4.8635 9.1975 121.7704 57.4419 65.2076 173.0302 542 A 5.1492 8.3389 122.0489 50.8571 22.4764 174.6492 543 N 5.2565 9.2404 117.6177 50.9042 41.9054 172.7720 544 L 5.2199 8.9586 120.0422 53.3739 45.5751 174.7917 545 L 4.8740 9.3412 130.0302 54.4352 43.4757 174.4171 546 Y 5.2860 9.0790 129.0389 55.9461 40.9108 174.1935 547 L 4.5696 8.3614 127.6655 53.9363 42.7321 177.3030 548 K 3.9501 8.0618 124.6716 54.9044 34.7210 177.6277 *550 F 4.6679 8.3888 120.3213 57.8301 40.2705 174.6152 551 S 5.0930 7.7511 115.0507 55.5926 64.9107 171.7934 552 P 4.4985 0.0000 0.0000 62.6319 31.6802 175.9701 553 F 4.6358 8.8816 121.9896 57.1341 40.6570 174.8475 554 P 4.5224 0.0000 0.0000 61.7146 27.7241 176.6933 555 T 4.1855 7.8587 121.5074 67.7425 69.0308 175.6346 556 E 3.9621 8.2059 120.2770 59.2621 29.8025 178.4364 557 F 3.9985 8.1907 120.1550 61.3009 39.4949 177.1454 558 V 3.6194 8.1548 117.9406 65.7603 31.4095 177.6973 559 K 3.8804 8.4608 119.8343 59.9210 31.8547 178.4810 560 N 4.4031 8.0973 114.8336 55.5690 38.3348 177.5573 561 V 3.5547 7.4284 120.1442 65.9363 31.7495 177.9813 562 L 3.8945 8.0918 118.7145 57.1375 41.3339 179.4155 563 S 4.2215 8.0583 114.0621 60.3940 62.9655 175.0694 564 S 4.5492 7.2001 113.7955 57.5022 63.4293 174.1039 565 A 4.1679 7.4899 124.5184 52.1551 18.7928 177.7337 566 N 4.4567 8.7856 120.0292 55.9328 38.8685 175.8979 567 L 4.3634 7.5363 117.7255 53.9098 44.9643 173.9665 568 V 4.3363 8.3722 125.6490 60.9610 33.5257 174.6223 569 I 4.4184 8.1127 126.7493 59.3325 39.1707 174.5277 570 D 4.4357 8.6529 125.6788 53.5427 41.7906 175.5237 571 V 4.2373 8.0908 125.8438 60.5359 32.6587 174.7121 572 E 4.0000 8.7307 128.5013 56.8093 29.9358 175.7058 573 S 4.6683 8.2226 118.4454 57.7020 65.6638 171.3112 574 N 5.0696 8.4232 116.8416 52.7382 39.5951 172.6663 575 Y 4.9121 8.2821 117.6561 56.8285 41.6891 173.5675 576 T 4.7758 7.4685 122.1028 61.8594 71.7465 173.1334 577 A 4.4149 8.5787 125.6737 51.6457 21.4658 175.3930 578 Q 4.5107 8.4129 119.3827 54.6123 29.5193 177.1964 579 A 4.1007 9.0145 126.1776 54.1775 18.9501 178.0870 580 A 4.1627 8.1393 119.1420 55.3750 18.8245 179.8303 581 Q 4.2345 7.8224 109.8604 57.5137 28.5287 178.1890 *583 I 4.1607 7.8100 120.9874 61.3684 39.3293 177.8504 584 K 4.2697 8.2067 122.1617 58.7676 31.6873 178.4301 585 L 3.7930 7.5751 119.4123 58.5892 42.0825 178.3452 586 Y 4.3687 7.8120 114.7532 60.1726 38.1719 176.3899 587 T 4.3825 8.3495 107.7306 60.6142 70.4201 175.5683 588 G 3.9395 8.2596 109.7429 45.4179 0.0000 173.5828 589 I 3.8558 7.7021 122.1885 60.8144 37.5859 174.5455 590 D 4.8197 8.3795 125.3958 52.0198 40.8156 175.2580 591 I 3.7686 8.1548 127.4138 61.5426 37.0903 176.7281 592 K 4.1761 8.6487 125.7471 57.9736 32.5321 177.0904 593 N 4.9706 7.9443 115.8509 51.4511 40.1018 174.2691 594 K 4.6371 8.2661 119.8018 55.4126 35.6441 175.7318 595 I 4.3263 8.3118 121.1315 59.8341 38.2393 175.5725 596 L 4.5299 8.3015 127.7964 53.1842 43.3602 177.4705 597 K 4.0000 8.5435 123.8770 55.6296 32.3349 175.9672 *598 Y 4.4933 8.5677 121.4635 55.1487 38.8581 174.6482 599 N 4.1226 10.0104 125.7606 53.4850 36.1522 175.3904 600 G 4.0099 9.0297 104.2173 45.0613 0.0000 172.8997 601 R 4.7721 7.4576 113.7713 54.1782 33.6658 177.4041 602 H 4.4935 8.0962 115.7595 55.4699 28.2485 177.7032 *604 T 4.1406 8.3050 119.1412 62.2847 70.7395 174.0592 605 E 3.9366 8.5251 120.7482 59.9376 29.4078 179.5047 606 D 4.4126 8.0087 118.2225 57.3882 40.9342 178.5477 607 E 3.9990 7.9895 118.8206 59.2564 29.3615 179.4762 608 I 3.7083 8.3477 120.2504 64.1846 37.2017 177.9437 609 L 3.9725 8.2531 121.6449 58.1609 41.8767 178.7236 610 K 3.8711 8.1540 119.2675 59.9442 32.1429 178.8032 611 S 4.1509 8.2834 114.9273 61.4179 62.6665 176.4756 612 A 4.0777 8.4283 123.8166 55.2949 18.1093 179.9147 613 K 3.9088 8.2397 116.8907 59.5025 31.9112 178.9511 614 E 3.9259 8.0167 118.4889 59.6910 29.5971 178.8581 615 I 3.8833 7.8373 119.5238 64.0292 36.9586 177.9167 616 L 3.9139 7.8434 120.4200 58.3854 42.0468 178.3891 617 N 4.5979 8.2530 113.1921 54.0651 38.8067 175.7001 618 K 4.2527 7.5419 126.4574 56.6798 32.4691 175.9286 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 503 A 8.26 4.39 1.36 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 0.00 0.00 504 E 8.36 4.05 0.00 2.04 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 2.33 2.47 0.00 505 K 8.55 4.56 0.00 1.61 1.71 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.20 7.81 506 A 7.81 5.26 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 V 8.88 4.50 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 1.01 0.00 0.00 0.98 0.00 0.00 508 L 8.61 4.96 0.00 1.69 1.65 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 509 I 9.04 4.23 1.89 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 1.18 0.67 0.90 0.00 0.00 510 G 8.80 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 0.00 0.00 0.00 511 E 8.43 4.32 0.00 2.06 1.94 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 2.32 2.28 0.00 512 K 8.86 4.00 0.00 1.75 1.90 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.40 7.81 513 E 7.86 4.49 0.00 1.90 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 2.23 2.35 0.00 514 A 8.01 4.64 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 0.00 515 D 8.69 4.59 0.00 2.78 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 0.00 516 I 7.80 4.42 1.58 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.67 -0.14 0.00 0.00 517 T 8.16 5.30 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 1.23 0.00 0.00 518 F 8.89 4.55 0.00 3.15 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 0.00 519 V 8.38 5.05 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 0.88 0.00 0.00 1.00 0.00 0.00 520 T 8.73 4.91 4.31 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 1.32 0.00 0.00 521 W 8.32 5.21 0.00 3.40 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 0.00 522 G 9.07 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 523 S 8.14 4.18 0.00 3.88 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 0.00 524 Q 7.59 4.10 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.90 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 525 K 7.83 3.84 0.00 1.73 1.65 0.00 0.68 0.00 0.00 0.61 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.09 7.81 526 G 7.84 3.46 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 0.00 527 P 0.00 4.34 0.00 2.15 2.02 0.00 3.54 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 1.99 2.10 0.00 528 I 7.55 3.29 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.70 0.45 0.00 0.00 529 L 7.71 3.94 0.00 1.76 1.65 0.80 1.05 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 0.00 530 D 7.99 4.32 0.00 2.80 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 0.00 531 V 7.54 3.57 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 1.14 0.00 0.00 0.87 0.00 0.00 532 I 8.02 3.78 2.08 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.36 0.95 0.00 0.00 533 E 7.63 3.98 0.00 2.00 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 2.51 2.48 0.00 534 D 8.21 4.52 0.00 2.85 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 0.00 535 L 8.26 4.03 0.00 1.92 1.95 1.13 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 536 K 7.91 3.88 0.00 1.99 1.89 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.63 7.81 537 E 7.92 4.01 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 538 E 7.87 4.58 0.00 2.08 1.97 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 2.24 2.36 0.00 539 G 8.09 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 540 I 7.85 4.71 2.00 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 1.29 0.68 0.92 0.00 0.00 541 S 9.20 4.86 0.00 3.90 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 0.00 542 A 8.34 5.15 1.33 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 0.00 0.00 543 N 9.24 5.26 0.00 3.01 3.05 0.00 0.00 6.38 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 0.00 544 L 8.96 5.22 0.00 1.83 1.57 1.11 0.65 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 0.00 545 L 9.34 4.87 0.00 1.83 1.62 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 546 Y 9.08 5.29 0.00 3.08 2.87 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 0.00 547 L 8.36 4.57 0.00 1.50 1.46 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 548 K 8.06 3.95 0.00 1.71 1.78 0.00 1.98 0.00 0.00 1.79 0.00 0.00 3.11 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.40 7.81 *550 F 8.39 4.67 0.00 3.34 3.34 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 0.00 551 S 7.75 5.09 0.00 4.10 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 0.00 552 P 0.00 4.50 0.00 2.25 2.14 0.00 3.75 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 1.98 1.96 0.00 553 F 8.88 4.64 0.00 3.09 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 0.00 554 P 0.00 4.52 0.00 2.14 1.94 0.00 2.20 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.63 0.00 555 T 7.86 4.19 4.36 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 1.31 0.00 0.00 556 E 8.21 3.96 0.00 2.08 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 2.41 2.40 0.00 557 F 8.19 4.00 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 0.00 558 V 8.15 3.62 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.97 0.00 0.00 559 K 8.46 3.88 0.00 2.10 1.93 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.52 7.81 560 N 8.10 4.40 0.00 2.57 2.77 0.00 0.00 7.07 7.83 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 0.00 561 V 7.43 3.55 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 0.96 0.00 0.00 0.32 0.00 0.00 562 L 8.09 3.89 0.00 1.73 1.69 0.95 0.54 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 0.00 563 S 8.06 4.22 0.00 4.02 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 0.00 564 S 7.20 4.55 0.00 3.96 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 0.00 565 A 7.49 4.17 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 0.00 566 N 8.79 4.46 0.00 2.72 2.89 0.00 0.00 6.72 7.85 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 0.00 567 L 7.54 4.36 0.00 1.53 1.49 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 568 V 8.37 4.34 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 0.90 0.00 0.00 0.93 0.00 0.00 569 I 8.11 4.42 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 1.30 0.79 0.92 0.00 0.00 570 D 8.65 4.44 0.00 2.62 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 0.00 571 V 8.09 4.24 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 0.88 0.00 0.00 0.95 0.00 0.00 572 E 8.73 4.00 0.00 1.98 1.87 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 2.33 2.34 0.00 573 S 8.22 4.67 0.00 3.86 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 0.00 574 N 8.42 5.07 0.00 2.94 2.84 0.00 0.00 5.65 7.55 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 0.00 575 Y 8.28 4.91 0.00 2.98 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 0.00 576 T 7.47 4.78 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 1.23 0.00 0.00 577 A 8.58 4.41 1.16 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 0.00 0.00 578 Q 8.41 4.51 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 579 A 9.01 4.10 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 580 A 8.14 4.16 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 0.00 581 Q 7.82 4.23 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.34 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 *583 I 7.81 4.16 2.04 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.94 0.95 0.00 0.00 584 K 8.21 4.27 0.00 1.88 1.94 0.00 1.68 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.30 7.81 585 L 7.58 3.79 0.00 1.48 1.36 0.71 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 586 Y 7.81 4.37 0.00 3.01 2.93 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 0.00 0.00 0.00 587 T 8.35 4.38 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 1.26 0.00 0.00 588 G 8.26 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 0.00 0.00 0.00 589 I 7.70 3.86 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 1.19 1.32 0.92 0.00 0.00 590 D 8.38 4.82 0.00 2.59 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 0.00 591 I 8.15 3.77 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.99 0.00 0.00 592 K 8.65 4.18 0.00 1.75 1.87 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.61 7.81 593 N 7.94 4.97 0.00 2.70 2.74 0.00 0.00 6.68 7.61 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 0.00 594 K 8.27 4.64 0.00 1.85 1.76 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.49 7.81 595 I 8.31 4.33 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.95 0.00 0.00 596 L 8.30 4.53 0.00 1.64 1.62 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 597 K 8.54 4.00 0.00 1.77 1.60 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 1.01 7.81 *598 Y 8.57 4.49 0.00 2.20 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 0.00 0.00 0.00 0.00 599 N 10.01 4.12 0.00 2.78 2.85 0.00 0.00 7.44 7.65 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 0.00 600 G 9.03 4.01 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 0.00 0.00 0.00 601 R 7.46 4.77 0.00 1.98 1.95 0.00 2.78 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.67 0.00 602 H 8.10 4.49 0.00 3.15 2.75 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *604 T 8.30 4.14 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 0.00 605 E 8.53 3.94 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 606 D 8.01 4.41 0.00 2.68 2.71 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 0.00 0.00 0.00 0.00 607 E 7.99 4.00 0.00 2.23 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 2.33 2.35 0.00 608 I 8.35 3.71 1.94 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 0.82 0.00 0.00 609 L 8.25 3.97 0.00 1.90 1.92 0.97 0.48 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 0.00 610 K 8.15 3.87 0.00 2.05 1.97 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.51 7.81 611 S 8.28 4.15 0.00 3.97 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 0.00 612 A 8.43 4.08 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 613 K 8.24 3.91 0.00 1.97 1.88 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 614 E 8.02 3.93 0.00 2.07 2.21 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 2.34 2.38 0.00 615 I 7.84 3.88 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.17 0.88 0.00 0.00 616 L 7.84 3.91 0.00 1.70 1.95 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 617 N 8.25 4.60 0.00 2.80 2.84 0.00 0.00 7.06 7.18 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 0.00 618 K 7.54 4.25 0.00 1.89 1.68 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 * Residues marked with a * may have inaccurate shift predictions.