NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 454 K 4.2848 8.3144 122.1401 53.8905 33.4765 174.9870 455 E 4.0938 8.5292 123.4046 54.8381 30.4406 174.5581 456 L 4.1242 9.5880 130.8939 55.0660 43.9227 174.9776 457 K 4.9575 9.2218 126.2082 54.7119 34.5091 175.2386 458 V 4.9396 9.0905 125.6459 60.8878 34.5934 173.7928 459 L 4.7586 8.6008 129.3138 53.1208 44.6438 174.8213 460 V 4.7519 8.8039 127.0540 61.3866 33.4625 174.2663 461 L 5.3990 8.9275 128.1236 53.2742 44.8529 175.4605 462 C 4.9406 8.6189 117.0366 56.5235 33.2771 174.3262 463 A 4.4008 8.5465 122.0532 52.6077 18.3907 178.0566 464 G 4.1150 8.2729 104.9275 45.9082 0.0000 175.3744 465 S 4.1201 7.8151 114.2876 59.5974 63.5479 175.3905 466 G 3.9745 8.2945 109.1795 45.1581 0.0000 174.8518 467 T 3.9465 7.8080 114.9099 64.8654 67.8295 176.1503 468 S 4.5049 8.5322 117.6373 60.9190 62.6671 176.2892 469 A 4.0298 7.9773 123.7174 54.8288 18.1515 179.6151 470 Q 3.9191 7.9793 116.7887 59.1070 28.7233 178.8400 471 L 3.7536 7.8659 120.5675 57.8670 42.1641 178.4019 472 A 3.9868 8.1094 120.7923 55.3977 18.2072 179.3472 473 N 4.2386 8.5542 114.9769 56.3788 38.5311 177.5114 474 A 3.9472 7.8281 121.6504 55.1432 18.4890 179.7097 475 I 3.6431 7.9877 118.5539 64.7298 37.1594 178.4668 476 N 4.4019 8.3637 117.4114 56.2186 38.2796 177.1638 477 E 4.0099 8.5931 121.2040 59.1545 29.7373 179.1209 478 G 3.5615 8.3974 105.8243 47.7131 0.0000 175.4693 479 A 4.0112 8.5042 123.8177 54.7951 18.2804 179.2561 480 N 4.2319 8.3563 115.5738 57.0094 38.8980 177.2139 481 L 4.0405 7.9072 119.0159 57.7783 41.8049 178.9483 482 T 4.1342 8.0163 113.4896 62.9806 69.5965 174.2032 483 E 3.7413 7.7066 119.3713 57.8107 27.2731 174.1602 484 V 4.3835 7.6916 116.7898 61.2907 34.9131 176.9441 485 R 4.4237 8.4355 125.5732 55.0489 29.2919 174.3620 486 V 4.9279 7.7957 120.6433 60.9404 35.2257 173.5080 487 I 4.8617 8.9565 126.9247 59.1108 41.2308 173.5685 488 A 5.3824 9.3681 130.7550 50.3266 21.3164 175.2309 489 N 5.2358 9.3371 119.1441 51.3752 42.5833 173.5797 490 S 5.1933 8.2125 113.8889 57.1364 66.4421 172.9605 491 G 4.0744 8.5043 106.6835 45.7699 0.0000 171.7251 492 A 5.0488 8.1440 121.5075 50.5261 20.5984 176.3258 493 Y 3.7584 8.7352 124.7738 58.7108 38.6302 175.9011 494 G 3.8171 8.3668 114.4464 45.6657 0.0000 173.9845 495 A 4.4503 7.6654 120.9198 52.1408 19.0515 176.9675 496 H 4.6596 7.0716 111.8821 55.9026 29.7258 176.4155 497 Y 4.1257 7.3533 117.7977 60.8092 37.8632 176.7157 498 D 4.6221 8.0260 118.0380 55.4021 42.4234 177.2389 499 I 4.0864 7.2126 114.4791 59.3218 36.1377 176.6453 *501 G 3.9243 7.6674 110.2196 45.8642 0.0000 172.4156 502 V 3.5664 7.9901 119.0306 64.9127 31.7280 175.5056 503 Y 4.5397 7.6706 115.9944 56.6461 39.9378 174.7365 504 D 4.7793 8.9441 121.8326 55.6051 43.0546 176.6017 505 L 5.3341 7.8196 119.5518 53.3200 45.8581 175.1384 506 I 5.0557 9.0115 126.7584 59.5612 40.4290 174.3524 507 I 5.0376 8.7789 127.8875 59.5326 39.7666 174.6304 508 L 4.6925 9.0877 128.0942 53.6941 43.0322 176.8406 509 A 3.6958 8.9135 126.2895 50.8797 19.6406 176.5011 510 P 4.3154 0.0000 0.0000 65.2197 31.3828 178.6800 511 Q 4.2481 7.7639 113.5608 57.0707 29.0976 176.6409 512 V 4.4881 7.6843 111.6139 60.9411 32.5461 177.5946 513 R 3.9507 7.9488 123.9980 59.3375 29.9079 178.7679 514 S 4.1008 7.7841 110.9156 60.4822 62.7273 174.1563 515 Y 4.4484 7.6243 118.3879 57.9944 38.0199 176.4896 516 Y 3.9956 8.2087 124.8813 61.5435 39.3075 178.4505 517 R 4.0182 8.3264 117.6831 59.2449 29.7735 181.4873 518 E 4.1564 7.6638 116.5924 56.1443 28.6936 179.0990 *520 K 4.0956 8.2076 120.7392 57.5080 34.4202 178.5793 521 V 3.8805 7.6680 119.1704 65.7006 31.1836 177.8446 522 D 4.4320 8.1161 117.1749 57.2471 41.0631 178.2038 523 A 4.2529 7.7231 119.3820 53.8676 18.5964 179.2542 524 E 4.0550 8.3057 119.2898 60.0002 29.4642 180.0757 525 R 4.1446 8.0463 116.8400 57.9436 29.7655 180.0956 526 L 4.5574 7.8750 113.4099 54.1331 42.8277 176.8106 527 G 3.9631 8.1232 106.2531 46.2710 0.0000 173.9902 528 I 4.0798 7.7085 119.5380 61.0906 37.9539 175.8514 529 Q 4.4633 9.1610 125.4131 55.6838 30.1348 175.0325 530 I 5.1846 8.4130 123.1016 59.7060 40.6455 175.2902 531 V 4.7725 9.0475 118.5499 59.6716 35.7323 174.3944 532 A 5.2365 8.7164 125.9089 50.4998 20.9916 175.7468 533 T 4.9527 8.3020 109.7493 60.0294 72.6421 172.9754 534 R 4.4979 9.0518 120.7865 53.5882 34.1689 177.5146 535 G 3.7473 8.5377 105.7893 47.4408 0.0000 174.8058 *537 E 4.1963 8.2115 121.0832 56.2000 31.3929 177.2395 538 Y 3.7939 8.2632 119.1724 60.7908 38.6051 178.0412 539 I 3.6979 7.7196 119.3304 64.6485 37.3336 177.7272 540 H 4.3528 8.0330 116.5280 59.0072 28.5943 177.6123 541 L 3.8944 7.7558 120.8797 57.8811 41.1545 179.6721 542 T 3.7888 7.4955 108.6369 63.8661 68.6934 175.6964 543 K 4.6012 7.4349 119.1969 55.5761 32.9084 176.5677 544 S 4.3843 7.8007 114.5482 54.9515 63.8859 172.1209 545 P 4.4231 0.0000 0.0000 65.7887 31.0909 178.7045 546 S 4.1292 7.9655 113.2630 61.6338 62.7752 176.7840 547 K 4.0503 8.1095 120.9810 59.1936 31.7627 179.3271 548 A 3.9440 8.4054 121.6313 55.0275 18.3312 179.4622 549 L 3.9185 8.1188 118.9159 58.3882 42.1285 178.8709 550 Q 4.0160 8.2366 119.5358 59.1134 28.7144 178.0164 551 F 4.1322 8.3849 121.0056 61.2756 39.8559 176.8827 552 V 3.8359 7.9677 117.6769 66.3326 31.3803 178.1005 553 L 4.1361 8.0583 118.5341 57.7580 41.2386 179.2649 554 E 4.0983 8.4558 117.7402 58.5328 29.3454 177.8853 555 H 4.7404 7.4644 114.4047 54.9051 30.4265 175.2025 556 Y 4.4819 7.5849 120.9950 56.2747 38.9339 174.9187 557 Q 4.1733 7.6758 122.5678 56.0153 28.9800 176.3186 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 454 K 8.31 4.28 0.00 1.79 1.67 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 455 E 8.53 4.09 0.00 2.03 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 2.44 0.00 456 L 9.59 4.12 0.00 1.71 1.45 0.02 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 457 K 9.22 4.96 0.00 1.57 1.52 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.28 7.81 458 V 9.09 4.94 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.95 0.00 0.00 459 L 8.60 4.76 0.00 0.27 0.93 0.61 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 460 V 8.80 4.75 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 1.12 0.00 0.00 0.96 0.00 0.00 461 L 8.93 5.40 0.00 1.64 1.55 0.66 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 462 C 8.62 4.94 0.00 2.91 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 A 8.55 4.40 1.31 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 0.00 0.00 464 G 8.27 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 0.00 465 S 7.82 4.12 0.00 3.99 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 0.00 466 G 8.29 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 0.00 0.00 0.00 467 T 7.81 3.95 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 1.11 0.00 0.00 468 S 8.53 4.50 0.00 4.19 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 0.00 469 A 7.98 4.03 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 0.00 470 Q 7.98 3.92 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 471 L 7.87 3.75 0.00 1.22 1.64 0.60 1.02 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 0.00 472 A 8.11 3.99 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 473 N 8.55 4.24 0.00 2.85 2.87 0.00 0.00 6.94 7.17 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 0.00 474 A 7.83 3.95 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 0.00 475 I 7.99 3.64 2.02 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 1.56 0.60 0.94 0.00 0.00 476 N 8.36 4.40 0.00 2.85 2.87 0.00 0.00 6.72 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 0.00 477 E 8.59 4.01 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 478 G 8.40 3.56 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 0.00 0.00 0.00 479 A 8.50 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 0.00 480 N 8.36 4.23 0.00 2.91 2.97 0.00 0.00 7.26 6.71 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 0.00 481 L 7.91 4.04 0.00 1.66 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 482 T 8.02 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 0.00 483 E 7.71 3.74 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 2.25 2.23 0.00 484 V 7.69 4.38 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 0.79 0.00 0.00 0.99 0.00 0.00 485 R 8.44 4.42 0.00 1.80 1.86 0.00 3.13 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 486 V 7.80 4.93 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 0.78 0.00 0.00 0.94 0.00 0.00 487 I 8.96 4.86 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 1.19 1.50 0.98 0.00 0.00 488 A 9.37 5.38 1.27 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 0.00 0.00 489 N 9.34 5.24 0.00 2.68 2.72 0.00 0.00 6.27 7.17 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 0.00 490 S 8.21 5.19 0.00 3.82 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 0.00 491 G 8.50 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 0.00 0.00 0.00 492 A 8.14 5.05 1.23 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 0.00 0.00 493 Y 8.74 3.76 0.00 2.88 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 494 G 8.37 3.82 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 0.00 495 A 7.67 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 496 H 7.07 4.66 0.00 3.08 3.23 0.00 5.47 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 497 Y 7.35 4.13 0.00 2.90 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 0.00 498 D 8.03 4.62 0.00 2.68 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 0.00 499 I 7.21 4.09 2.02 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 1.23 0.86 0.95 0.00 0.00 *501 G 7.67 3.92 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 0.00 0.00 0.00 502 V 7.99 3.57 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 0.23 0.00 0.00 0.90 0.00 0.00 503 Y 7.67 4.54 0.00 3.04 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 0.00 504 D 8.94 4.78 0.00 2.33 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 0.00 505 L 7.82 5.33 0.00 1.81 1.47 1.14 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 506 I 9.01 5.06 1.92 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 1.18 0.68 0.88 0.00 0.00 507 I 8.78 5.04 1.99 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 1.46 0.94 1.11 0.00 0.00 508 L 9.09 4.69 0.00 1.66 1.63 1.13 0.69 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 0.00 509 A 8.91 3.70 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 0.00 510 P 0.00 4.32 0.00 2.00 2.01 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 511 Q 7.76 4.25 0.00 1.97 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.37 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 512 V 7.68 4.49 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.02 0.00 0.00 513 R 7.95 3.95 0.00 1.94 1.86 0.00 3.02 0.00 0.00 3.36 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 514 S 7.78 4.10 0.00 3.70 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 0.00 515 Y 7.62 4.45 0.00 2.63 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 0.00 516 Y 8.21 4.00 0.00 3.01 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 0.00 517 R 8.33 4.02 0.00 1.78 1.93 0.00 3.30 0.00 0.00 3.39 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.20 0.00 518 E 7.66 4.16 0.00 2.09 2.30 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 2.73 2.57 0.00 *520 K 8.21 4.10 0.00 1.77 1.80 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.67 0.69 7.81 521 V 7.67 3.88 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1.00 0.00 0.00 522 D 8.12 4.43 0.00 2.79 2.82 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 0.00 523 A 7.72 4.25 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 0.00 524 E 8.31 4.06 0.00 2.23 2.23 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 2.58 2.33 0.00 525 R 8.05 4.14 0.00 1.85 1.89 0.00 3.23 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.22 0.00 526 L 7.87 4.56 0.00 1.62 1.74 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 527 G 8.12 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 I 7.71 4.08 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.64 1.10 0.00 0.00 529 Q 9.16 4.46 0.00 2.33 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 530 I 8.41 5.18 1.89 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 1.37 0.86 1.00 0.00 0.00 531 V 9.05 4.77 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 0.73 0.00 0.00 1.09 0.00 0.00 532 A 8.72 5.24 1.04 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 0.00 0.00 533 T 8.30 4.95 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 534 R 9.05 4.50 0.00 1.74 1.82 0.00 3.12 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 535 G 8.54 3.75 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 0.00 0.00 0.00 *537 E 8.21 4.20 0.00 2.07 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 2.20 2.33 0.00 538 Y 8.26 3.79 0.00 3.10 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 0.00 539 I 7.72 3.70 1.82 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.94 0.88 0.00 0.00 540 H 8.03 4.35 0.00 3.30 3.29 0.00 5.64 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 0.00 541 L 7.76 3.89 0.00 1.43 1.41 -0.16 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 542 T 7.50 3.79 4.12 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 0.79 0.00 0.00 543 K 7.43 4.60 0.00 1.80 1.87 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.56 7.81 544 S 7.80 4.38 0.00 3.79 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 0.00 545 P 0.00 4.42 0.00 2.19 2.27 0.00 3.64 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 2.10 2.17 0.00 546 S 7.97 4.13 0.00 3.86 3.92 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 0.00 547 K 8.11 4.05 0.00 1.81 1.87 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.45 7.81 548 A 8.41 3.94 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 0.00 549 L 8.12 3.92 0.00 1.79 1.84 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 550 Q 8.24 4.02 0.00 2.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 551 F 8.38 4.13 0.00 3.14 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 0.00 552 V 7.97 3.84 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 1.03 0.00 0.00 1.13 0.00 0.00 553 L 8.06 4.14 0.00 1.78 1.74 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 554 E 8.46 4.10 0.00 1.87 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 2.31 2.43 0.00 555 H 7.46 4.74 0.00 3.06 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 Y 7.58 4.48 0.00 2.94 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 0.00 557 Q 7.68 4.17 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.42 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.