NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 392 Y 4.7534 7.9914 118.3884 59.3687 39.9325 174.1735 393 G 3.7469 7.7932 116.1751 45.0780 0.0000 172.1812 394 S 4.4039 9.3754 119.4049 59.3179 64.4715 173.9413 395 W 4.4317 8.1963 122.1258 59.1788 29.1516 175.5397 396 E 4.6785 8.0961 120.6775 56.3538 29.3505 176.1181 397 I 4.6201 8.8074 128.6800 59.5135 39.4756 175.1742 398 D 4.4225 8.8484 126.1102 53.8111 41.5482 174.7635 399 P 4.4692 0.0000 0.0000 65.7265 31.4926 178.2388 400 K 4.3631 8.0045 114.2368 58.1915 32.6371 176.9267 401 D 4.7896 8.8307 120.2367 54.6090 41.0514 175.2262 402 L 5.4332 8.0721 120.2969 53.1097 43.9516 176.0156 403 T 4.8327 8.6553 112.6570 59.8884 72.2345 172.8335 404 F 4.7699 9.0386 121.8262 56.1692 40.2419 175.1143 405 L 4.5091 8.6667 124.6208 55.7627 42.6969 176.7962 406 K 4.4511 7.6839 117.2321 55.4906 35.4397 173.6283 407 E 4.3808 8.8538 125.8154 55.8344 30.3206 175.2341 408 L 4.6031 8.3271 124.3891 56.0350 44.3062 176.4411 409 G 4.1952 7.4985 103.1873 46.5182 0.0000 173.9628 410 T 4.9649 8.9308 105.7177 61.6739 71.7898 174.6120 411 G 3.9675 8.5575 110.3463 45.7601 0.0000 174.3480 412 Q 4.0838 6.7502 117.2291 55.7590 29.1637 174.0995 413 F 4.8671 7.5788 114.2511 54.7731 47.1800 173.8841 414 G 4.0432 9.3918 110.2141 45.9650 0.0000 173.2265 415 V 3.5403 7.5300 123.4057 61.7801 32.2150 174.2621 416 V 4.7260 8.1982 128.7907 61.2965 33.4416 174.5384 417 K 5.0861 8.6195 126.2635 54.4995 36.2738 174.8004 418 Y 4.3917 8.4001 125.4585 57.7704 40.0491 174.8908 419 G 4.0715 7.6661 111.9375 45.8505 0.0000 171.2301 420 K 5.1578 7.9436 116.6119 54.1537 36.0090 175.3927 421 W 5.2325 9.3432 133.4434 56.2448 33.6072 175.9450 422 R 3.7091 9.8903 126.1525 57.1794 27.6216 178.0939 423 G 3.9949 8.4077 103.2094 46.3521 0.0000 174.6804 424 Q 4.1662 7.7747 116.4536 56.8188 30.9723 175.4675 425 Y 4.8153 7.5894 115.7245 56.5133 39.8008 175.1965 426 D 5.0944 9.0386 124.4583 54.6050 41.8886 176.0702 427 V 4.8951 8.8984 115.2513 59.7201 36.7406 174.0365 428 A 5.2434 8.5347 123.6788 50.4503 21.9045 176.0448 429 I 4.6046 8.5580 121.7534 59.3535 40.6408 174.5321 430 K 4.7268 9.3068 130.0696 55.1481 33.6859 174.8615 431 M 5.1560 8.5829 128.6855 53.9422 33.1089 175.9041 432 I 4.6892 8.0588 117.5364 59.3190 40.5769 174.7745 433 K 4.4489 8.2497 119.3636 55.8640 34.7321 175.6553 434 E 4.1944 8.4209 122.0238 54.8871 28.9451 174.9259 *442 F 4.7320 8.3059 128.0633 58.4888 41.2841 177.8432 443 I 3.5719 7.0722 118.8867 62.7193 39.0682 175.7725 444 E 4.4284 7.9577 118.7700 56.8901 31.2360 177.8327 445 E 3.6842 7.7385 118.6007 59.2791 29.8318 178.6104 446 A 3.6169 7.2003 120.1365 54.7232 18.1958 179.1573 447 K 3.6307 7.4168 116.7949 59.4912 32.4890 178.6741 448 V 3.6821 7.6921 118.2955 66.4616 31.3481 178.0679 449 M 4.2297 7.6576 116.4492 58.2525 31.7204 178.3684 450 M 3.5595 7.9942 118.7512 57.2778 32.1215 177.3046 451 N 4.7918 7.8689 114.0792 52.2175 39.6617 174.7712 452 L 4.9525 7.2492 120.0365 52.9993 44.8088 176.2555 453 S 4.4991 8.8584 118.3684 57.7429 67.3025 173.3047 454 H 4.3628 8.1920 123.2942 54.3547 32.4625 173.9237 455 E 3.9623 8.2481 124.0920 58.7571 29.5492 178.1442 456 K 4.5072 8.2188 116.4818 55.7609 32.6167 174.6893 457 L 5.0407 7.3509 118.9633 52.3755 43.8613 176.7271 458 V 3.7551 8.5837 123.9166 63.5708 32.2707 174.9017 459 Q 4.4799 9.4008 130.2798 54.5237 30.3386 174.5213 460 L 4.1733 8.6547 129.1598 56.0477 42.0217 175.9887 461 Y 4.8536 9.2441 123.7910 57.8551 39.5887 175.7881 462 G 4.2375 7.0044 104.8867 46.5738 0.0000 171.4765 463 V 5.0610 8.6490 112.1421 59.7666 36.7451 175.3857 464 C 5.1620 8.9747 120.0025 58.8865 29.3027 174.5865 465 T 4.3083 10.4385 121.4180 63.6919 70.0094 175.9131 466 K 4.4154 8.2031 119.3843 56.0975 32.0122 175.8420 467 Q 4.5021 7.9024 118.1305 55.8057 33.0648 177.6503 468 R 3.4749 7.2468 114.5240 54.4298 32.4927 178.1656 469 P 4.4183 0.0000 0.0000 62.7865 31.9642 175.8137 470 I 3.9049 8.2473 123.3695 61.9936 38.4339 174.6967 471 F 5.5524 8.7187 123.3024 55.9067 42.1345 174.4334 472 I 4.8824 8.8933 123.4315 59.5225 40.4679 174.5293 473 I 4.9055 8.6382 127.0266 59.7161 40.4400 174.8335 474 T 4.7984 8.4517 116.2468 59.0263 72.7067 172.8395 475 E 3.7832 7.8229 119.5777 56.5057 30.2037 175.8873 476 Y 4.5398 8.5509 122.7563 57.1702 40.4080 174.7818 477 M 4.2010 7.7708 125.9114 53.2180 32.7749 176.3526 478 A 3.4932 8.1779 127.6387 54.4390 18.7919 177.8759 479 N 4.5799 8.0211 111.2340 52.6468 39.4284 176.9537 480 G 3.7962 7.7020 108.6371 45.1074 0.0000 172.7437 481 C 4.7549 8.3358 113.9780 57.8840 31.7000 173.9564 482 L 4.0009 8.7119 125.3436 58.3902 41.5264 179.3415 483 L 4.0108 7.9266 119.6545 58.4219 42.0188 178.6538 484 N 4.4778 8.2224 115.8973 56.3113 38.2866 176.7182 485 Y 4.3067 7.8674 120.0579 60.7841 39.0181 177.5927 486 L 4.2214 8.1850 119.1391 57.7150 41.8404 179.0994 487 R 4.4429 7.7471 115.6928 56.5816 30.7673 177.0276 488 E 4.1648 7.9055 120.6496 55.5092 29.7557 176.5848 489 M 4.0939 8.4647 127.7097 57.7032 32.4418 179.1809 490 R 3.8669 8.0047 114.9279 59.1176 29.4926 177.8100 491 H 3.8443 7.4361 114.8890 56.6595 29.1149 175.5255 492 R 3.5735 7.1516 116.9389 56.9400 27.8307 176.6318 493 F 4.4793 7.2905 114.6998 57.7301 40.2340 176.1248 494 Q 4.4680 9.4472 124.0933 55.2925 29.8614 177.4601 495 T 3.9884 8.3754 110.5580 64.8050 68.8397 176.5747 496 Q 4.0194 8.1298 122.3456 59.1841 29.1280 177.9748 497 Q 4.0503 8.0050 118.7913 58.9352 28.8636 178.8334 498 L 3.6346 7.6976 119.4597 57.5345 41.6569 179.0758 499 L 4.1271 8.0186 120.2897 58.2374 41.9341 178.6809 500 E 3.9997 8.3340 119.2710 59.3597 29.5642 178.5114 501 M 4.0148 8.0907 118.8243 58.7449 32.0395 178.3627 502 C 4.2105 7.9844 116.3523 62.8799 28.2697 176.2671 503 K 4.0545 8.1928 121.0137 59.4950 31.7991 178.2575 504 D 4.4017 8.3554 119.5059 57.7690 40.7572 179.3133 505 V 3.6242 7.8639 118.2385 66.1187 31.5848 177.5615 506 C 3.6513 8.7552 118.9119 62.2897 31.3603 175.2584 507 E 3.8718 8.5310 120.3319 59.4621 29.0841 179.2102 508 A 3.7595 7.8153 120.5355 55.5270 18.4057 179.6819 509 M 3.6124 8.0197 117.4177 58.0296 31.6488 178.6455 510 E 3.9976 8.4767 120.0550 59.1353 29.9023 178.1363 511 Y 3.9992 7.8813 119.6162 60.7829 38.8870 178.2037 512 L 3.6941 7.9201 119.7849 57.5659 41.6374 178.9489 513 E 3.9864 8.4998 119.9557 59.5256 29.3619 179.1821 514 S 4.1130 8.1478 112.9177 60.6826 62.9538 175.5200 515 K 4.2316 7.2373 119.5004 54.9192 32.1220 176.1220 516 Q 3.4379 7.9038 117.1510 56.8555 26.9924 173.1816 517 F 4.7056 8.2215 118.5027 56.2494 41.1325 174.3294 518 L 4.7081 7.4493 127.5731 53.2302 43.1388 175.9545 519 H 4.2347 9.6156 124.6102 58.8719 29.9595 177.8979 520 R 4.2176 8.8552 114.7631 56.8177 29.3983 175.8299 521 D 4.7455 8.0015 117.2536 52.9358 41.4295 175.1292 522 L 3.8915 8.0462 120.1546 54.6635 43.2732 175.2093 523 A 4.3290 7.9171 125.7659 51.4376 21.6576 176.7964 524 A 4.0835 9.0675 123.7625 55.1406 18.5444 180.5107 525 R 4.0917 7.8686 110.8667 58.3723 30.0851 176.8412 526 N 5.0195 8.2316 115.9953 53.0674 40.0380 173.7802 527 C 5.3305 8.1670 116.4244 58.0362 32.0684 172.8766 528 L 5.2815 8.8163 119.9907 52.9986 46.1486 175.5868 529 V 4.6908 8.2540 119.7357 61.3149 34.6644 175.4595 530 N 5.0825 8.5092 125.8506 51.4330 39.5680 175.1307 531 D 4.3583 8.4756 116.4629 56.4510 39.5523 176.8784 532 Q 4.2155 8.2456 116.5428 55.6409 28.9706 176.2258 533 G 3.8560 7.9918 106.2534 45.6652 0.0000 173.5633 534 V 4.0918 8.0548 120.4219 61.9771 32.8129 175.0906 535 V 4.5911 8.6251 128.1022 61.8634 32.6038 175.2193 536 K 4.8853 9.0387 126.5114 54.3457 36.3960 175.7114 537 V 4.0712 8.6518 124.2845 63.1758 32.5390 174.9415 538 S 5.0664 8.6195 120.9690 56.6451 66.7619 172.8591 539 D 4.9213 8.5536 117.2644 55.1998 38.0754 174.5694 540 F 4.5510 7.0631 111.5757 57.0221 38.3788 176.5100 541 G 3.4554 7.2656 109.5755 46.9033 0.0000 173.6004 *559 F 4.4335 7.7401 121.6580 57.4855 40.7430 173.7166 560 P 4.6725 0.0000 0.0000 60.8200 30.3510 176.2253 561 V 3.7212 8.1535 125.2867 67.1246 31.8150 177.9601 562 R 3.9993 8.2221 115.1553 57.5927 29.9490 176.9929 563 W 4.7212 8.5944 116.8700 56.3162 29.7316 175.5317 564 S 4.6868 7.7748 115.4963 55.7682 64.2505 172.5139 565 P 2.0000 0.0000 0.0000 60.5587 32.2700 175.5117 566 P 3.8964 0.0000 0.0000 65.3367 31.0575 178.6726 567 E 3.8663 7.7776 115.4796 58.3562 29.5090 179.1253 568 V 3.3294 7.2491 119.7732 65.6097 31.5865 177.6323 569 L 3.8256 7.5711 116.6737 57.9170 41.4684 178.7644 570 M 3.9866 7.4275 116.8340 56.7406 32.4379 176.6722 571 Y 4.8061 6.8913 111.3945 56.6176 39.9473 175.2192 572 S 3.4464 7.8052 114.8661 59.4032 60.7959 173.1537 573 K 4.2855 7.5178 122.9008 54.9383 30.6627 175.1983 574 F 4.3390 8.2532 123.0746 56.9766 40.0072 174.9995 575 S 4.6430 8.9958 118.0680 56.2983 66.1883 176.1613 576 S 4.2687 8.6772 115.2653 61.8526 62.2904 176.4983 577 K 4.1998 8.1306 120.9713 58.4923 31.8638 179.2022 578 S 4.3989 8.2729 115.1168 61.2520 63.0868 176.2031 579 D 4.7033 8.3306 122.1402 57.0255 40.6341 178.5213 580 I 3.5479 7.8848 120.3103 64.0482 37.1168 177.7574 581 W 4.6658 8.5466 130.1312 60.1193 30.5228 177.8187 582 A 4.5940 8.4956 119.8711 55.3305 17.8480 179.3847 583 F 4.3873 9.0795 119.6829 61.2916 39.5221 177.4916 584 G 3.3355 8.4771 105.5388 47.9010 0.0000 175.8292 585 V 3.8832 8.1466 120.9402 65.4621 31.4501 177.8509 586 L 4.3575 8.6765 120.6188 58.5345 41.8970 178.6526 587 M 3.9749 8.1784 118.9260 58.2974 31.8881 178.4716 588 W 4.1707 8.4371 128.2303 60.6985 30.8128 177.8334 589 E 4.1300 8.7919 118.6820 59.4021 28.8283 179.4960 590 I 3.5439 7.8987 119.8577 64.7046 37.0755 178.1709 591 Y 3.7751 8.0362 115.7567 59.7074 37.6602 177.3921 592 S 4.2792 7.3649 113.8409 56.7995 63.5432 173.7196 593 L 3.4306 8.7578 120.5930 56.2899 39.3014 175.4199 594 G 3.9525 8.3903 104.1823 45.3180 0.0000 174.5020 595 K 4.1498 7.2570 120.1152 55.9549 32.7288 176.2717 596 M 4.4200 8.3461 124.1769 54.5620 32.6979 174.6110 597 P 3.3163 0.0000 0.0000 63.6451 32.2136 175.6425 598 Y 3.5266 7.2630 118.1059 58.4392 35.3120 171.8133 599 E 3.8829 8.4352 121.1729 59.4866 29.8693 177.3811 600 R 4.2246 7.5305 114.1083 56.0462 30.4615 175.7832 601 F 5.3409 7.7872 117.4142 55.4047 41.7447 175.9374 602 T 4.2684 8.9076 114.8186 61.2188 70.7729 175.5036 603 N 4.2556 8.6758 118.3474 56.6664 38.5305 177.6239 604 S 4.0541 8.0303 115.7247 61.7041 63.0051 176.4181 605 E 3.8076 7.9285 120.6302 59.6752 29.2111 179.3498 606 T 3.3043 7.8738 115.5504 66.5868 68.6251 176.3056 607 A 3.7732 7.7257 122.1870 55.0461 18.4063 179.5132 608 E 3.7681 8.0352 116.8995 60.0436 29.7277 179.4401 609 H 3.9973 8.4464 116.4659 58.8242 28.6657 178.0533 610 I 3.9974 8.4319 123.1348 63.6100 36.6189 178.3319 611 A 3.9651 7.4407 120.7525 54.8868 18.2800 178.9895 612 Q 4.1750 7.6473 113.6501 56.6910 28.7229 177.1821 613 G 3.9926 8.0003 108.8676 45.1733 0.0000 173.7327 614 L 4.5195 7.6736 119.3396 53.8427 42.7291 176.0051 615 R 4.5782 8.0897 119.0422 53.8806 34.3105 174.9978 616 L 3.4970 7.0209 119.2986 54.3695 41.8394 177.2829 617 Y 4.4445 7.8383 120.9119 56.4127 38.7944 175.3977 618 R 3.5932 8.1156 121.4410 55.0588 30.5839 174.6146 619 P 4.4262 0.0000 0.0000 62.6903 32.1136 176.7437 620 H 4.0948 8.9695 119.7616 59.3687 28.6313 176.6237 621 L 4.1879 7.9232 115.7158 56.0192 41.9305 176.6059 622 A 4.0594 7.7881 123.1797 50.6713 19.5026 178.1237 623 S 4.3884 8.2596 118.2007 57.9580 65.3571 175.2011 624 E 4.0406 8.6631 121.6888 59.5767 29.0509 179.8299 625 K 3.9627 7.9720 118.0496 59.4068 32.1901 179.4112 626 V 3.4789 7.7173 118.5318 66.0843 31.3998 177.4530 627 Y 4.0950 8.3161 119.7299 60.9423 38.7032 178.0020 628 T 3.6439 7.9665 116.6806 66.5850 68.2906 176.5170 629 I 3.5849 7.1823 120.4250 64.5804 37.4994 178.1127 630 M 3.6784 7.6695 117.8047 58.3146 30.9196 177.8969 631 Y 2.9733 7.7518 120.9513 59.7822 38.5944 178.0455 632 S 3.8236 7.2826 113.9417 60.9493 62.8823 175.6808 633 C 4.2175 7.3337 119.5920 60.7410 27.4582 174.5626 634 W 4.1809 6.7702 119.6624 56.1117 29.1137 175.4643 635 H 4.2164 8.0509 115.6836 56.1068 28.5828 175.2485 636 E 4.1278 9.0127 124.5295 58.8577 29.9264 177.0069 637 K 4.2867 8.0429 119.0782 55.0877 32.7374 176.9918 638 A 4.0785 8.9481 128.2391 55.3545 18.3429 178.8368 639 D 4.4941 8.0742 112.6217 55.4410 39.4748 176.6294 640 E 4.2919 8.0326 118.6502 56.5978 29.9275 176.6476 641 R 4.3759 7.7165 119.0301 54.7420 30.8938 174.6093 642 P 4.4521 0.0000 0.0000 62.4721 32.4607 176.1720 643 T 4.1987 7.8642 109.5427 60.6226 71.5376 175.5847 644 F 3.9378 9.0984 120.0640 60.1607 38.7064 177.9305 645 K 4.0933 8.0499 119.6176 59.6224 31.8727 178.9599 646 I 3.7069 7.6537 119.6369 64.3416 37.0036 178.2582 647 L 3.9276 7.9323 119.9121 57.7768 41.3186 179.1137 648 L 3.9181 8.3845 120.4857 58.3614 42.0621 178.6795 649 S 4.0836 8.1249 112.7809 61.7204 62.2445 176.2500 650 N 4.3211 8.4453 118.9532 56.3857 38.2694 177.2766 651 I 3.7471 8.0677 121.5024 64.6352 37.2424 178.4583 652 L 4.0234 8.2633 119.8720 57.8185 41.4105 179.3506 653 D 4.3501 8.1589 118.8312 57.4560 40.8299 179.0174 654 V 3.6209 7.8959 118.6182 66.2464 31.2759 177.8009 655 M 4.1115 8.1899 117.8275 58.7093 31.8837 178.2059 656 D 4.5158 8.1018 117.9225 57.4138 41.0428 178.4106 657 E 4.0119 8.1625 118.3468 57.2749 29.5334 176.8499 658 E 4.1359 8.6539 122.6553 56.8211 30.1366 173.9993 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 392 Y 7.99 4.75 0.00 3.17 3.19 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 0.00 393 G 7.79 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 0.00 394 S 9.38 4.40 0.00 3.85 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 0.00 395 W 8.20 4.43 0.00 3.76 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 0.00 396 E 8.10 4.68 0.00 2.11 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 2.42 2.43 0.00 397 I 8.81 4.62 1.85 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.99 0.00 0.00 398 D 8.85 4.42 0.00 2.82 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 0.00 399 P 0.00 4.47 0.00 2.25 2.05 0.00 3.68 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 400 K 8.00 4.36 0.00 1.87 1.98 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.46 7.81 401 D 8.83 4.79 0.00 3.13 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 0.00 402 L 8.07 5.43 0.00 1.79 1.28 1.07 1.06 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 0.00 403 T 8.66 4.83 4.24 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 0.00 0.00 0.00 1.24 0.00 0.00 404 F 9.04 4.77 0.00 2.78 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 0.00 405 L 8.67 4.51 0.00 1.43 1.88 0.63 0.89 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 0.00 406 K 7.68 4.45 0.00 1.91 1.72 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.42 7.81 407 E 8.85 4.38 0.00 2.03 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 2.33 0.00 408 L 8.33 4.60 0.00 1.62 1.50 1.01 0.78 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 0.00 409 G 7.50 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 0.00 0.00 0.00 0.00 410 T 8.93 4.96 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 1.26 0.00 0.00 411 G 8.56 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 0.00 412 Q 6.75 4.08 0.00 1.33 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.77 0.00 0.00 0.00 0.00 0.00 1.92 2.00 0.00 413 F 7.58 4.87 0.00 2.92 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 0.00 414 G 9.39 4.04 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 496 Q 8.13 4.02 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 497 Q 8.00 4.05 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 498 L 7.70 3.63 0.00 1.27 0.72 0.58 0.02 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 0.00 499 L 8.02 4.13 0.00 1.93 1.91 1.09 0.79 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 0.00 500 E 8.33 4.00 0.00 2.16 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 2.33 2.42 0.00 501 M 8.09 4.01 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.55 0.00 502 C 7.98 4.21 0.00 3.31 3.22 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 0.00 503 K 8.19 4.05 0.00 1.91 2.00 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 504 D 8.36 4.40 0.00 2.98 2.95 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 0.00 505 V 7.86 3.62 2.38 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 1.33 0.00 0.00 1.07 0.00 0.00 506 C 8.76 3.65 0.00 3.13 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 0.00 507 E 8.53 3.87 0.00 2.21 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 2.35 2.44 0.00 508 A 7.82 3.76 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 0.00 509 M 8.02 3.61 0.00 0.51 0.76 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.58 0.00 510 E 8.48 4.00 0.00 2.10 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 2.34 2.47 0.00 511 Y 7.88 4.00 0.00 2.93 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 0.00 512 L 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0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 571 Y 6.89 4.81 0.00 2.97 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 0.00 0.00 0.00 0.00 0.00 572 S 7.81 3.45 0.00 4.07 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 0.00 573 K 7.52 4.29 0.00 1.74 1.93 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.43 7.81 574 F 8.25 4.34 0.00 3.14 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 0.00 575 S 9.00 4.64 0.00 3.98 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 0.00 576 S 8.68 4.27 0.00 4.15 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 0.00 577 K 8.13 4.20 0.00 1.87 1.97 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.74 7.81 578 S 8.27 4.40 0.00 4.14 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 6.80 7.57 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 0.00 604 S 8.03 4.05 0.00 3.84 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 0.00 605 E 7.93 3.81 0.00 2.14 1.59 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 2.28 2.34 0.00 606 T 7.87 3.30 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 0.03 0.00 0.00 607 A 7.73 3.77 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 0.00 608 E 8.04 3.77 0.00 2.12 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 0.00 2.24 2.50 0.00 609 H 8.45 4.00 0.00 2.74 3.09 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 610 I 8.43 4.00 1.71 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 1.12 1.43 0.80 0.00 0.00 611 A 7.44 3.97 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 0.00 612 Q 7.65 4.18 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.62 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 613 G 8.00 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 0.00 0.00 0.00 614 L 7.67 4.52 0.00 1.78 1.66 0.90 0.70 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 0.00 615 R 8.09 4.58 0.00 1.97 1.64 0.00 2.86 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.32 0.00 616 L 7.02 3.50 0.00 0.64 0.15 -0.40 -1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 617 Y 7.84 4.44 0.00 3.08 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 0.00 618 R 8.12 3.59 0.00 0.67 1.46 0.00 3.13 0.00 0.00 2.97 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 619 P 0.00 4.43 0.00 2.16 1.76 0.00 3.70 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.22 0.00 620 H 8.97 4.09 0.00 3.15 3.36 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 621 L 7.92 4.19 0.00 1.96 1.88 0.92 0.80 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 0.00 622 A 7.79 4.06 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 0.00 623 S 8.26 4.39 0.00 4.05 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 0.00 624 E 8.66 4.04 0.00 2.00 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 2.39 2.35 0.00 625 K 7.97 3.96 0.00 1.78 1.84 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.49 7.81 626 V 7.72 3.48 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 0.29 0.00 0.00 0.85 0.00 0.00 627 Y 8.32 4.09 0.00 3.00 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 0.00 628 T 7.97 3.64 4.38 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 1.15 0.00 0.00 629 I 7.18 3.58 1.94 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 1.54 0.53 0.93 0.00 0.00 630 M 7.67 3.68 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.33 0.00 631 Y 7.75 2.97 0.00 2.05 2.49 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 0.00 0.00 0.00 0.00 632 S 7.28 3.82 0.00 4.03 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 0.00 633 C 7.33 4.22 0.00 2.24 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 0.00 634 W 6.77 4.18 0.00 2.71 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 0.00 0.00 0.00 635 H 8.05 4.22 0.00 3.28 3.27 0.00 5.71 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 0.00 636 E 9.01 4.13 0.00 1.99 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 0.00 2.32 2.43 0.00 637 K 8.04 4.29 0.00 1.88 1.76 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.46 7.81 638 A 8.95 4.08 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 0.00 639 D 8.07 4.49 0.00 2.78 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 0.00 640 E 8.03 4.29 0.00 2.03 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 2.28 2.39 0.00 641 R 7.72 4.38 0.00 1.94 1.86 0.00 3.46 0.00 0.00 3.74 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.93 0.00 642 P 0.00 4.45 0.00 2.06 2.01 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 643 T 7.86 4.20 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 1.18 0.00 0.00 644 F 9.10 3.94 0.00 3.08 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 0.00 645 K 8.05 4.09 0.00 1.82 1.81 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.75 7.81 646 I 7.65 3.71 1.95 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 1.50 0.50 0.88 0.00 0.00 647 L 7.93 3.93 0.00 1.69 1.68 0.54 0.32 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 0.00 648 L 8.38 3.92 0.00 1.80 1.85 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 649 S 8.12 4.08 0.00 3.95 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 0.00 650 N 8.45 4.32 0.00 2.91 2.84 0.00 0.00 7.03 8.34 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 0.00 651 I 8.07 3.75 2.13 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.87 1.00 0.00 0.00 652 L 8.26 4.02 0.00 1.69 1.74 0.94 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 0.00 653 D 8.16 4.35 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 654 V 7.90 3.62 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 0.87 0.00 0.00 0.97 0.00 0.00 655 M 8.19 4.11 0.00 2.03 2.30 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.90 0.00 656 D 8.10 4.52 0.00 2.79 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 0.00 657 E 8.16 4.01 0.00 2.09 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 2.35 0.00 658 E 8.65 4.14 0.00 2.09 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 2.25 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.