NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 423 G 3.9366 8.3544 109.7368 45.5259 0.0000 172.8647 424 S 3.8706 8.7400 113.1340 61.1979 62.2955 173.9332 425 H 4.8363 8.0738 121.2355 55.2391 28.2672 173.6555 426 M 4.5425 8.3628 123.2357 53.4872 34.7675 174.3771 427 A 4.3920 7.8545 128.4101 52.2599 19.4647 176.3709 428 V 4.2166 8.6259 121.6774 61.1330 33.8272 174.6137 429 I 4.5593 8.3930 129.6405 60.7053 37.9319 175.4652 430 T 4.6508 8.7638 117.2870 58.6364 71.6194 173.3981 431 P 3.8003 0.0000 0.0000 65.3056 31.3246 177.9128 432 Q 4.4307 7.7498 116.1453 55.6199 29.0366 176.9902 433 G 3.8213 8.3267 107.0798 44.3313 0.0000 172.7746 434 V 4.2154 8.1664 119.7598 62.7474 32.3494 176.3485 435 T 4.7306 8.5786 116.3306 60.1082 72.0596 172.7343 436 N 4.3134 8.7750 115.7058 53.3954 35.7936 176.5801 437 W 5.1843 7.9028 127.2815 56.1255 31.9471 173.8404 438 T 4.4129 8.6926 117.0903 60.1343 71.4305 174.7923 439 Y 3.8392 8.3338 122.1356 60.9334 38.6780 178.0981 440 Q 3.7379 7.9273 119.8205 59.1258 29.1209 178.1763 441 E 3.5140 7.4420 119.0021 58.9566 29.3881 178.9484 442 L 3.5655 6.5005 120.1439 57.9742 42.0579 178.5253 443 E 3.5991 7.6543 119.1689 59.1734 29.4196 178.6568 444 A 3.8994 7.6213 120.6414 55.4533 18.3180 179.7934 445 T 3.8182 7.8778 114.2736 66.8315 68.4401 176.4219 446 H 4.0090 8.6032 120.5961 59.5131 29.9513 177.4137 447 Q 3.9453 8.2927 119.6162 58.7924 28.4670 178.6758 448 A 3.9891 7.9939 121.9673 55.0357 18.4272 179.6244 449 L 3.8843 8.0828 117.8473 58.2252 41.6578 179.9096 450 T 4.0994 8.0719 115.7887 66.8134 68.1692 176.9236 451 R 3.9707 7.8985 118.8161 59.2269 30.1832 178.4723 452 E 4.2717 8.0001 116.4988 57.2948 29.7043 177.6869 453 G 3.9288 8.1090 108.2895 45.3675 0.0000 172.4548 454 Y 4.9764 7.6972 116.1861 56.4801 39.8685 175.4105 455 V 4.5682 8.9077 121.8069 60.8111 34.9101 174.5502 456 F 4.0236 9.0288 130.3609 58.4472 39.3669 174.8779 457 V 3.9167 8.9024 117.8148 59.7552 33.7808 175.8219 458 G 3.7606 5.3800 109.6382 44.8738 0.0000 170.4322 459 Y 5.2088 8.3931 117.7933 57.3135 39.9580 174.7558 460 H 5.0799 9.6522 123.0252 54.4938 32.6798 172.3047 461 G 4.4528 8.6753 113.2897 45.5207 0.0000 172.2203 462 T 5.0314 8.6625 117.5696 61.7144 71.6564 172.3234 463 N 5.0390 8.7497 119.7498 52.2397 38.3991 175.6469 464 H 4.3063 8.6989 114.5514 58.5434 28.3197 177.8850 465 V 3.4961 7.5524 120.5317 65.9422 31.6118 177.6757 466 A 4.0202 8.6441 120.4821 55.0649 18.1658 179.5024 467 A 4.0009 8.1684 119.4570 55.3239 18.4746 179.5575 468 Q 3.9151 7.8853 118.2321 59.6568 29.1228 178.6889 469 T 3.8769 7.7098 116.7322 66.7940 68.2740 176.7345 470 I 3.7857 7.6216 120.5757 64.3237 37.1827 178.3598 471 V 3.7321 7.7525 118.2857 65.8419 31.3765 177.6128 472 N 4.4527 7.9843 115.4173 54.4196 38.8623 175.4568 473 R 4.3267 7.2533 114.8084 55.4476 33.7579 173.8796 474 I 4.1074 8.5688 126.4584 60.8481 37.6104 175.2037 475 A 4.6314 8.2356 127.5449 49.1765 22.1488 173.7136 476 P 2.0000 0.0000 0.0000 62.0496 31.6795 175.6277 477 V 3.3928 6.7686 112.6672 63.0930 31.1129 176.6609 *485 N 4.8917 8.3750 121.3706 54.1078 41.3493 176.3640 486 E 4.2906 8.2760 116.3851 59.1758 30.2632 178.0280 487 E 4.2111 8.4006 118.3831 59.2139 29.9952 178.6945 488 K 3.7102 8.3195 119.5373 59.0147 32.1487 177.5189 489 W 4.8944 7.6819 115.2709 56.3144 29.1627 176.7016 490 G 3.9370 8.0729 108.0135 45.0124 0.0000 174.5135 491 G 2.9045 7.9783 108.8885 43.8998 0.0000 170.9806 492 L 4.1582 6.7597 122.3410 54.0098 43.0816 175.1158 493 Y 4.8614 8.6982 124.3239 57.1210 39.2600 175.2796 494 V 4.9746 8.9055 116.0131 59.7383 36.9599 174.1970 495 A 5.1343 9.1120 122.9830 50.7042 21.9767 177.7793 496 T 4.1625 8.9486 111.4411 64.0251 69.8238 174.2498 497 H 4.6813 8.3212 122.5066 54.7154 30.1259 174.9828 498 A 3.8560 8.7506 130.0474 55.4178 18.0119 178.5777 499 E 3.7905 7.8336 117.1186 59.1219 29.4305 179.0576 500 V 3.6203 7.6143 117.4194 66.0670 31.9687 177.5635 501 A 4.3443 8.1177 119.9787 55.5458 18.3150 178.8660 502 H 4.1945 8.6920 117.1130 59.2822 29.6524 177.5902 503 G 3.5725 8.0044 106.8455 47.2676 0.0000 174.1322 504 Y 4.4963 8.0034 116.5066 57.4367 39.7608 175.6063 505 A 4.8225 7.6794 126.7343 49.5381 17.5941 176.3327 506 R 4.8250 7.0130 116.0666 54.5252 32.4151 175.6219 507 I 4.0157 8.2734 120.7362 61.3674 37.6384 176.8741 508 K 4.5822 8.7440 122.2620 56.5501 33.9775 175.8242 509 E 4.7938 8.1398 119.0399 54.4483 32.6179 175.5393 510 G 3.6649 8.7453 112.9394 45.4315 0.0000 173.2960 511 T 4.3689 8.7942 111.3962 60.8911 68.9522 174.7383 512 G 3.8536 8.0493 113.2202 44.5143 0.0000 172.9157 513 E 3.6764 8.3287 116.7959 57.5935 29.8211 176.8903 514 Y 3.5944 8.8340 117.4375 58.9967 35.3530 170.4631 515 G 3.9638 7.9489 105.7799 45.6948 0.0000 174.3556 516 L 4.2419 7.6870 119.9564 53.3153 42.2779 175.0967 517 P 4.4851 0.0000 0.0000 62.4271 32.1544 176.8516 518 T 4.1511 8.2736 111.1802 61.0705 71.0564 175.5857 519 R 3.8191 8.4282 120.3621 59.6441 29.9072 178.1054 520 A 4.0092 7.9781 119.9342 55.3744 18.1411 179.3344 521 E 3.9447 7.7604 115.7092 59.4394 29.5290 179.4819 522 R 4.1408 7.7026 117.6458 59.1821 30.2932 178.2605 523 D 4.5352 8.1234 116.4950 55.1094 41.2628 176.7543 524 A 4.4965 6.9908 121.2607 52.1211 19.2418 177.1685 525 R 4.7576 8.9491 118.2911 54.2598 34.3033 176.3205 526 G 4.0229 8.9400 110.5298 46.0028 0.0000 171.9491 527 V 4.8825 8.7427 118.7564 61.3112 35.1690 174.4371 528 M 4.8774 8.7759 126.9404 54.4471 33.5383 175.0758 529 L 5.3200 9.2900 123.9777 53.1464 45.4620 175.4589 530 R 4.9998 9.4073 120.9731 54.6828 32.6120 175.2222 531 V 4.8340 8.6944 124.5052 61.4412 33.7519 173.9775 532 Y 5.3375 9.2943 125.4676 56.1255 41.4439 174.6796 533 I 5.0612 8.4900 115.6042 58.1638 41.4330 173.3299 534 P 4.2948 0.0000 0.0000 62.2841 32.0273 177.7818 535 R 3.7474 8.6916 119.7828 59.6162 29.1695 179.1056 536 A 3.9491 7.8880 120.5247 54.8951 18.4356 179.2887 537 S 4.2251 8.1339 113.3143 60.8114 62.8391 176.3435 538 L 3.9411 7.8051 122.0263 57.0239 41.0026 178.6738 539 E 4.0101 7.8426 118.3025 57.9995 29.9137 176.6663 540 R 3.9513 7.9131 118.3569 55.7863 31.4944 175.6034 541 F 4.5838 7.6367 123.0362 56.7663 40.3088 173.8479 542 Y 4.9983 8.0790 123.3623 56.3055 40.3533 174.5863 543 R 4.9652 8.3266 120.4202 55.1260 33.5093 174.0224 544 T 4.8659 9.0101 118.5714 60.5367 70.8997 174.2080 545 N 4.6177 8.8726 122.0313 54.4924 39.2918 175.9111 546 T 4.0531 7.6006 116.4373 62.2089 69.2199 172.6895 547 P 4.3276 0.0000 0.0000 62.9792 32.2556 176.6065 548 L 3.9086 8.7493 125.5369 58.1863 42.0013 179.0697 549 E 3.3807 7.8362 113.9654 58.2203 29.4872 176.9028 550 N 4.7228 8.0386 115.4440 53.1502 39.0937 174.9251 551 A 4.6488 7.9222 121.0027 51.8425 19.7668 178.1136 552 E 3.8542 8.6592 120.3432 60.4452 29.4669 178.6967 553 E 3.8369 8.1235 118.4224 59.5164 29.6843 178.0630 554 H 4.0881 8.0872 117.6861 59.2611 29.9254 177.0947 555 I 2.9570 7.8165 122.2001 64.3753 36.8091 178.6013 556 T 3.8938 7.8541 112.1697 64.1633 68.3087 176.3728 557 Q 3.8397 7.7902 121.6491 58.8380 29.1271 178.1888 558 V 3.5782 7.5638 118.6664 65.7670 31.7321 177.6507 559 I 3.9475 7.7191 111.0213 61.3583 37.7881 176.9070 560 G 3.8790 9.4732 108.6189 45.5667 0.0000 172.2337 561 H 4.7630 7.1530 113.7344 53.8452 31.1545 173.0519 562 S 4.2046 8.3070 114.6396 57.5987 63.5479 174.1362 563 L 3.9467 7.9558 121.5033 54.1896 41.8259 175.4980 564 P 4.7489 0.0000 0.0000 61.0574 32.3915 176.0445 565 L 4.3720 8.1487 118.8778 55.3074 43.5961 175.5978 566 R 4.4011 9.3379 119.7899 56.7469 29.4084 178.5285 567 N 5.0907 9.1022 123.9873 52.8848 37.8139 172.1844 568 E 5.1036 7.5012 118.9868 55.1284 35.2757 175.5654 569 A 5.0501 8.8698 122.1283 50.1787 22.9911 174.9320 570 F 4.8177 8.8990 121.3174 56.6555 43.1260 173.7109 571 T 5.0775 8.3655 121.8542 62.0312 71.7986 173.2503 572 G 4.4715 8.5979 110.1199 44.5375 0.0000 170.8302 573 P 4.8776 0.0000 0.0000 62.9753 31.7664 177.6632 574 E 4.3997 9.2334 122.4772 58.9418 30.4674 176.7794 575 S 4.4964 7.8216 112.8406 56.2776 65.8771 173.0727 576 A 4.0965 8.3729 124.4358 53.8734 18.2312 178.4127 577 G 3.8840 9.0135 111.1732 45.3016 0.0000 173.4454 578 G 4.0361 7.9835 107.2165 44.8099 0.0000 173.6035 579 E 4.4362 8.5038 118.9745 55.9131 30.8428 176.7193 580 D 5.1671 8.6091 121.1830 54.5608 41.9280 175.6604 581 E 4.9157 9.2464 118.2472 54.9845 33.6726 174.3849 582 T 5.0299 9.0016 118.1046 61.7207 72.0162 173.2152 583 V 3.6106 8.5462 126.7568 59.8563 33.5118 174.9066 584 I 4.2789 8.2420 128.1513 59.2163 38.3664 175.8882 585 G 4.0068 8.6855 115.4514 45.4932 0.0000 174.1359 586 W 4.5443 8.8231 122.1245 59.8819 28.9093 178.6623 587 D 4.5151 8.2726 117.4458 57.3056 40.5422 178.0741 588 M 4.3738 8.0743 118.1506 58.5057 32.4517 177.9091 589 A 4.1349 8.4147 121.4524 55.0055 18.3088 179.3144 590 I 3.9975 7.9000 110.4075 63.4552 37.6466 176.9971 591 H 4.8266 8.0480 116.2488 54.9785 29.2703 174.5154 592 A 4.8348 7.6300 123.6483 51.3065 20.1847 177.0206 593 V 4.5025 8.9682 118.1927 61.0707 34.9434 174.0209 594 A 5.5316 8.7640 128.7546 50.1215 21.3164 175.4664 595 I 4.6286 8.8207 115.4667 58.0592 41.1329 173.4267 596 P 4.7999 0.0000 0.0000 63.0729 31.8380 176.1680 597 S 4.9671 9.2560 119.1222 58.2038 63.3847 174.0308 598 T 4.5108 9.8476 112.4121 61.9169 69.2112 175.2026 599 I 3.8711 7.8876 124.9125 60.5316 37.3030 174.3230 600 P 4.3765 0.0000 0.0000 62.6903 31.7450 176.5203 601 G 4.2541 8.3159 108.2483 45.6848 0.0000 171.1851 602 N 5.0641 8.4204 117.9897 52.7135 41.7874 173.4037 603 A 4.9214 8.2603 117.7537 50.9291 22.1534 176.2581 604 Y 4.3718 8.9202 119.7095 59.7193 38.7300 176.7089 605 E 4.3082 8.0438 118.9659 54.4608 30.2176 175.9534 606 E 4.2599 8.6016 124.1171 56.4757 30.1671 176.4457 607 L 4.7978 8.8682 122.3624 52.5093 44.8123 176.4462 608 A 4.2006 8.2712 123.7968 51.4774 19.1665 177.6840 609 I 3.3140 7.9324 121.2843 60.9619 38.8666 176.3261 610 D 4.5423 8.3262 125.6875 53.3857 40.9741 176.6758 611 E 3.9556 8.5554 127.9710 59.1409 29.5529 178.7237 612 E 3.8493 8.1637 119.0047 59.2061 29.5651 178.8038 613 A 3.9485 8.0811 120.3529 54.9501 18.2955 179.4930 614 V 3.4637 7.4285 115.3040 66.1792 31.9245 177.8089 615 A 4.0840 8.1629 120.5984 55.0231 17.9814 179.3953 616 K 3.5877 7.8540 117.1284 59.3239 32.3891 178.0011 617 E 4.3967 7.8510 116.4342 56.6495 29.7282 177.9289 618 Q 3.9938 7.7677 121.5382 59.4408 28.9085 178.6400 619 S 4.2622 8.0906 113.2212 60.4330 63.0102 175.1782 620 I 4.3503 7.1020 114.7813 60.3862 37.7293 175.6258 621 S 3.8881 7.7665 115.2246 58.4588 64.0932 174.6150 622 T 4.1773 7.9687 109.5484 61.0747 69.2752 174.1104 623 K 4.1243 8.5155 122.9495 55.9323 32.6455 175.4749 624 P 4.3298 0.0000 0.0000 61.2915 32.0921 174.2593 625 P 4.2478 0.0000 0.0000 62.9317 31.9025 175.1529 626 Y 5.0444 8.1273 117.4953 56.2215 41.4131 175.6415 627 K 4.3886 9.0134 122.5858 55.6001 33.1892 176.7579 628 E 4.3600 8.5304 125.5401 56.3651 29.5834 174.9079 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 423 G 8.35 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 0.00 424 S 8.74 3.87 0.00 3.87 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 0.00 425 H 8.07 4.84 0.00 3.32 3.42 0.00 5.74 0.00 0.00 0.00 0.00 6.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 M 8.36 4.54 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 427 A 7.85 4.39 0.36 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 0.00 428 V 8.63 4.22 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 1.04 0.00 0.00 0.99 0.00 0.00 429 I 8.39 4.56 2.05 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 1.00 0.00 0.00 430 T 8.76 4.65 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 1.22 0.00 0.00 431 P 0.00 3.80 0.00 2.11 1.98 0.00 3.55 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 432 Q 7.75 4.43 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.34 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 433 G 8.33 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 0.00 434 V 8.17 4.22 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 0.89 0.00 0.00 0.97 0.00 0.00 435 T 8.58 4.73 4.29 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 0.00 0.00 1.24 0.00 0.00 436 N 8.78 4.31 0.00 2.94 3.02 0.00 0.00 6.62 7.68 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 0.00 437 W 7.90 5.18 0.00 3.35 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 438 T 8.69 4.41 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 1.20 0.00 0.00 439 Y 8.33 3.84 0.00 3.05 2.99 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 0.00 440 Q 7.93 3.74 0.00 2.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 441 E 7.44 3.51 0.00 1.28 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 2.04 2.06 0.00 442 L 6.50 3.57 0.00 1.20 1.25 1.26 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 443 E 7.65 3.60 0.00 1.16 1.64 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 2.16 2.40 0.00 444 A 7.62 3.90 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 0.00 445 T 7.88 3.82 4.51 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 1.23 0.00 0.00 446 H 8.60 4.01 0.00 3.25 3.45 0.00 5.78 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 0.00 447 Q 8.29 3.95 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.66 2.53 0.00 448 A 7.99 3.99 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 0.00 449 L 8.08 3.88 0.00 1.49 1.39 -0.09 0.25 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 0.00 450 T 8.07 4.10 4.37 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 1.22 0.00 0.00 451 R 7.90 3.97 0.00 1.95 2.00 0.00 3.16 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 452 E 8.00 4.27 0.00 2.39 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 2.60 2.56 0.00 453 G 8.11 3.93 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 0.00 0.00 0.00 454 Y 7.70 4.98 0.00 3.03 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 0.00 455 V 8.91 4.57 1.96 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 0.83 0.00 0.00 0.89 0.00 0.00 456 F 9.03 4.02 0.00 2.51 2.76 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 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7.81 3.94 0.00 1.65 1.56 0.74 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 539 E 7.84 4.01 0.00 2.00 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 2.30 2.32 0.00 540 R 7.91 3.95 0.00 1.77 1.89 0.00 3.26 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 541 F 7.64 4.58 0.00 2.99 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 0.00 542 Y 8.08 5.00 0.00 1.43 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 0.00 0.00 0.00 543 R 8.33 4.97 0.00 1.16 1.69 0.00 2.21 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.26 0.00 544 T 9.01 4.87 4.53 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 1.47 0.00 0.00 545 N 8.87 4.62 0.00 2.74 2.84 0.00 0.00 7.00 7.54 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 0.00 546 T 7.60 4.05 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 1.19 0.00 0.00 547 P 0.00 4.33 0.00 2.34 1.96 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 548 L 8.75 3.91 0.00 1.68 1.49 1.01 0.66 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 0.00 549 E 7.84 3.38 0.00 1.81 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 2.15 2.14 0.00 550 N 8.04 4.72 0.00 2.78 2.86 0.00 0.00 6.76 6.89 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 0.00 551 A 7.92 4.65 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 0.00 552 E 8.66 3.85 0.00 2.25 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 2.29 2.16 0.00 553 E 8.12 3.84 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 2.35 2.34 0.00 554 H 8.09 4.09 0.00 3.25 3.39 0.00 5.93 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 0.00 555 I 7.82 2.96 1.62 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 -0.30 -0.00 0.47 0.00 0.00 556 T 7.85 3.89 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 1.08 0.00 0.00 557 Q 7.79 3.84 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 558 V 7.56 3.58 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 0.18 0.00 0.00 0.76 0.00 0.00 559 I 7.72 3.95 1.91 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 1.42 0.43 0.95 0.00 0.00 560 G 9.47 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 0.00 561 H 7.15 4.76 0.00 3.30 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 S 8.31 4.20 0.00 3.93 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 0.00 563 L 7.96 3.95 0.00 1.30 1.45 -0.42 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 564 P 0.00 4.75 0.00 2.19 2.30 0.00 3.35 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 565 L 8.15 4.37 0.00 1.62 1.66 0.96 0.93 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 0.00 566 R 9.34 4.40 0.00 1.89 1.19 0.00 2.86 0.00 0.00 3.00 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 567 N 9.10 5.09 0.00 2.74 2.81 0.00 0.00 6.63 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 0.00 568 E 7.50 5.10 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 2.55 2.54 0.00 569 A 8.87 5.05 0.54 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 0.00 0.00 0.00 0.00 0.00 0.00 570 F 8.90 4.82 0.00 3.14 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 0.00 571 T 8.37 5.08 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 0.99 0.00 0.00 572 G 8.60 4.47 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 0.00 573 P 0.00 4.88 0.00 2.10 2.03 0.00 3.78 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 2.26 2.08 0.00 574 E 9.23 4.40 0.00 1.94 2.12 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 2.36 2.56 0.00 575 S 7.82 4.50 0.00 3.95 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 0.00 576 A 8.37 4.10 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 0.00 577 G 9.01 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 0.00 578 G 7.98 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 0.00 0.00 0.00 579 E 8.50 4.44 0.00 1.96 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 2.39 2.31 0.00 580 D 8.61 5.17 0.00 2.60 2.60 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 0.00 581 E 9.25 4.92 0.00 2.11 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 0.00 2.34 2.32 0.00 582 T 9.00 5.03 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 1.01 0.00 0.00 583 V 8.55 3.61 1.10 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 0.79 0.00 0.00 0.51 0.00 0.00 584 I 8.24 4.28 1.73 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 1.15 0.63 0.92 0.00 0.00 585 G 8.69 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 0.00 586 W 8.82 4.54 0.00 3.45 3.21 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 0.00 587 D 8.27 4.52 0.00 2.85 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 0.00 588 M 8.07 4.37 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.70 0.00 589 A 8.41 4.13 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 0.00 590 I 7.90 4.00 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.32 1.12 0.00 0.00 591 H 8.05 4.83 0.00 3.35 3.43 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 A 7.63 4.83 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.97 4.50 1.75 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 0.84 0.00 0.00 0.66 0.00 0.00 594 A 8.76 5.53 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 0.00 595 I 8.82 4.63 1.90 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 1.22 0.82 0.00 0.00 596 P 0.00 4.80 0.00 1.49 1.91 0.00 3.16 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.86 0.00 597 S 9.26 4.97 0.00 4.27 4.15 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 0.00 598 T 9.85 4.51 4.35 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 1.29 0.00 0.00 599 I 7.89 3.87 1.83 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.84 0.00 0.00 600 P 0.00 4.38 0.00 2.08 2.04 0.00 3.69 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 601 G 8.32 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 0.00 0.00 0.00 0.00 602 N 8.42 5.06 0.00 2.61 2.68 0.00 0.00 7.29 7.64 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 0.00 603 A 8.26 4.92 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 0.00 604 Y 8.92 4.37 0.00 2.94 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 0.00 605 E 8.04 4.31 0.00 2.04 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 0.00 2.26 2.51 0.00 606 E 8.60 4.26 0.00 1.89 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 0.00 2.22 2.22 0.00 607 L 8.87 4.80 0.00 1.60 1.56 0.95 0.72 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 0.00 608 A 8.27 4.20 1.21 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 0.00 0.00 609 I 7.93 3.31 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.54 0.83 0.00 0.00 610 D 8.33 4.54 0.00 2.73 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 0.00 0.00 0.00 0.00 611 E 8.56 3.96 0.00 1.99 1.96 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 2.36 2.29 0.00 612 E 8.16 3.85 0.00 1.98 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 0.00 2.26 2.28 0.00 613 A 8.08 3.95 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 0.00 614 V 7.43 3.46 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 0.82 0.00 0.00 0.87 0.00 0.00 615 A 8.16 4.08 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 0.00 616 K 7.85 3.59 0.00 1.71 1.74 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.39 0.97 7.81 617 E 7.85 4.40 0.00 2.10 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 2.57 2.43 0.00 618 Q 7.77 3.99 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 619 S 8.09 4.26 0.00 4.06 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 0.00 620 I 7.10 4.35 1.24 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 1.61 0.54 0.86 0.00 0.00 621 S 7.77 3.89 0.00 3.77 3.51 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 0.00 622 T 7.97 4.18 4.28 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 1.23 0.00 0.00 623 K 8.52 4.12 0.00 1.86 1.94 0.00 2.03 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.62 1.56 7.81 624 P 0.00 4.33 0.00 1.60 1.81 0.00 3.72 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.68 0.00 625 P 0.00 4.25 0.00 2.09 2.00 0.00 3.45 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 626 Y 8.13 5.04 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 0.00 627 K 9.01 4.39 0.00 1.64 1.85 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 628 E 8.53 4.36 0.00 1.98 1.80 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 2.23 2.53 0.00 * Residues marked with a * may have inaccurate shift predictions.