NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 413 T 4.2399 8.1744 115.2410 61.4556 68.4841 173.4576 414 E 3.8488 8.5942 129.5687 54.9416 30.3131 174.4211 415 C 4.1778 8.3901 125.1483 59.8962 32.8188 172.8875 416 T 4.5112 8.2779 115.6221 61.3325 69.8877 175.1973 417 I 3.8660 7.7277 115.4277 63.1237 37.9969 176.2996 418 V 4.4699 7.2081 112.1433 58.2511 35.5060 173.2914 419 P 4.3821 0.0000 0.0000 62.1928 31.9535 177.2525 420 A 3.8550 8.4143 122.3711 54.9515 18.3036 178.0257 421 N 3.2841 7.5428 111.3494 52.4416 37.6472 174.3723 422 H 4.1932 7.5060 119.5044 56.6670 30.2619 174.5931 423 F 4.5685 8.4949 125.6860 57.4885 40.3002 175.4815 424 G 3.9174 8.8414 109.6456 43.6136 0.0000 171.2184 425 P 4.4880 0.0000 0.0000 62.6368 32.0247 176.1983 426 I 4.0702 8.0732 122.0856 59.6146 37.9368 173.8809 427 P 4.3351 0.0000 0.0000 64.5816 31.4072 176.7192 428 G 3.8801 9.1891 111.1193 45.2423 0.0000 173.4472 429 V 4.2252 7.5184 119.7523 59.9808 31.7717 173.3335 430 P 4.6165 0.0000 0.0000 61.3890 32.3238 176.3991 431 V 3.6548 8.3380 118.9973 64.9413 31.4850 176.2444 432 G 4.0441 9.0696 115.1650 45.1843 0.0000 174.0040 433 T 3.7855 7.7825 117.0659 63.8929 69.6598 173.2329 434 M 5.0372 7.8871 123.7922 53.2080 36.0101 174.4683 435 W 5.2179 9.0972 121.9910 54.8130 32.5363 176.3351 436 R 3.5059 8.7511 125.0809 58.5558 30.4453 176.4777 437 F 5.0914 7.8229 115.9536 55.0079 42.2900 176.2111 438 R 3.8827 8.8113 122.7920 59.4314 29.6825 179.7678 439 V 3.3008 7.7644 118.5457 64.8359 31.3782 178.3882 440 Q 3.8871 7.9169 118.8536 58.4689 28.0021 178.6448 441 V 2.0000 7.1672 118.7848 65.4321 31.4488 177.8991 442 S 4.4988 7.7751 114.1468 61.0872 62.0744 176.0468 443 E 3.9616 7.9836 120.0901 59.1380 29.1977 179.1400 444 S 4.2911 7.6003 113.3843 59.4996 63.3108 175.4910 445 G 3.8690 7.8404 110.4688 45.2231 0.0000 174.8278 446 V 3.4777 7.4946 119.2909 65.5306 31.8272 175.6237 447 H 4.7448 7.5199 120.2411 53.4313 30.8282 173.5828 448 R 3.7836 8.3741 126.3278 58.2965 30.2497 176.5740 449 P 4.2910 0.0000 0.0000 62.8766 31.7670 176.2837 450 H 4.2840 8.9258 120.2112 57.9531 29.2055 176.0052 451 V 4.1384 7.7562 115.6646 64.1277 33.1504 175.8546 452 A 4.1602 7.9495 120.7391 52.6027 18.7587 177.1997 453 G 4.0880 8.6450 106.4492 46.7722 0.0000 172.9872 454 I 5.2990 7.6464 119.5124 59.5026 41.7552 173.4264 455 H 4.9943 9.2017 127.8288 54.5944 32.2991 172.7173 456 G 3.9281 8.4718 111.1293 45.6514 0.0000 171.9993 457 R 4.7858 8.3666 118.6098 53.8880 32.9752 177.5104 458 S 4.1746 8.8843 117.3950 60.3731 63.1907 174.5723 459 N 4.8958 8.0864 116.7797 52.4781 37.2304 173.6788 460 D 4.6200 9.3017 116.6323 54.4558 43.2179 176.3831 461 G 4.3311 7.1536 105.2085 44.3318 0.0000 170.1625 462 A 4.4345 8.5158 123.3669 50.9632 20.2470 176.7588 463 Y 4.5685 8.4878 120.5323 59.6245 39.6589 175.8111 464 S 5.3384 7.7518 111.1623 57.6395 66.3080 173.8452 465 L 4.9284 9.0126 120.4485 54.4604 44.2317 174.6511 466 V 4.6827 8.5002 120.2850 61.1350 33.8408 174.7098 467 L 4.5723 9.0450 128.4096 53.0102 42.9602 176.8424 468 A 4.7919 8.7244 128.0486 52.5172 19.2984 176.1810 469 G 4.1931 9.1077 111.5114 44.5190 0.0000 179.2480 470 G 3.7125 7.5774 110.9834 46.3014 0.0000 173.1902 471 Y 4.5709 8.6025 122.4506 56.0324 39.9664 176.0983 472 E 4.1757 8.6485 118.5699 58.9189 30.1313 177.6088 473 D 4.6122 8.0951 117.3087 55.6211 41.4162 176.1140 474 D 4.7691 7.5580 118.7518 54.1369 41.8566 176.1056 475 V 4.4611 9.0302 121.8678 61.2318 34.9171 173.5757 476 D 4.9677 9.0079 127.8334 52.8416 41.8209 175.1473 477 N 4.5694 8.6498 123.6781 52.6333 37.7273 175.6486 478 G 2.6660 7.3203 110.8647 46.0061 0.0000 175.2171 479 N 4.9204 8.2547 119.6932 54.7860 40.8866 174.0870 480 Y 5.6615 7.4507 112.8035 56.1501 42.0783 173.7914 481 F 5.4899 9.0311 113.9529 56.3092 41.5100 173.3161 482 T 5.7180 8.7614 110.8930 60.4628 71.1550 173.0583 483 Y 5.1667 8.3371 121.2683 56.9704 42.4260 173.1019 484 T 4.7392 7.4864 121.2453 61.5692 71.4630 174.8311 485 G 4.1579 9.2017 113.5764 45.8639 0.0000 172.4420 486 S 4.8320 9.3045 114.6185 56.5648 65.4249 173.2575 487 G 3.8526 8.6330 106.6416 45.4994 0.0000 175.1762 488 G 4.2896 8.0374 105.0363 46.5904 0.0000 173.9443 *500 Q 4.4218 8.3902 122.4585 55.7932 29.6334 174.9051 501 S 4.3264 8.8127 114.0073 57.6157 64.1068 173.4400 502 S 3.8250 6.4766 114.3990 56.8202 66.2192 173.1674 503 D 4.7644 8.5654 120.6163 54.2782 41.1096 176.8275 504 Q 4.4199 8.9983 122.3969 56.0732 29.6398 175.9040 505 K 4.8931 8.5086 119.0212 54.8701 36.2968 177.1572 506 L 3.8595 8.4542 124.9813 53.7352 40.6043 174.8524 507 T 4.7101 6.8073 111.6701 59.8417 73.8862 176.0877 508 N 3.8972 8.2583 119.0976 54.8286 37.6316 178.0517 509 N 4.4422 8.6202 122.0080 56.5555 38.5191 176.4740 510 N 4.4857 7.9882 119.4778 55.7022 38.6127 177.0359 511 R 3.5802 7.6902 119.7485 59.0966 30.0822 178.0798 512 A 3.8615 7.8485 120.6034 55.3601 18.2184 179.4274 513 L 3.7231 7.7473 118.2585 58.1274 42.0591 179.0007 514 A 3.3644 7.7468 120.6737 54.8472 17.8944 179.5703 515 L 3.8900 7.7890 116.9355 57.9274 41.8420 179.1004 516 N 4.3323 7.8766 116.6274 55.2419 38.5270 175.0167 517 C 4.6574 7.4788 120.2519 59.6127 32.7398 173.8752 518 H 4.6820 8.7267 126.9252 54.1455 27.7206 173.5858 519 S 4.7743 7.2234 113.1514 56.4014 65.4685 172.8988 520 P 4.4336 0.0000 0.0000 61.9891 31.7626 176.3971 521 I 3.8579 8.2265 121.7921 61.3398 38.5356 174.8897 522 N 5.0182 9.1899 125.2507 51.8496 41.4405 174.8875 523 E 4.2934 9.0908 125.1908 58.5709 29.7520 177.5002 524 K 4.1647 8.1903 118.3373 56.4019 32.6975 176.9689 525 G 3.9167 10.1597 103.1909 46.3268 0.0000 172.1309 526 A 4.3813 7.2563 119.1520 51.1830 22.3016 175.3108 527 E 5.0144 8.3116 118.4979 53.9065 32.3708 176.4530 528 A 4.3518 8.9199 126.1401 52.3644 18.6557 177.2426 529 E 3.9221 8.7814 124.3750 57.9946 30.2347 176.6926 530 D 4.8830 8.0303 125.5078 51.6241 42.5413 176.2514 531 W 4.3657 9.0546 125.3830 59.6371 28.0718 178.6511 532 R 3.3953 6.7896 116.1082 58.0379 29.3940 177.2062 533 Q 4.0969 7.7384 115.8147 55.9303 28.8853 176.1130 534 G 3.9511 7.5087 106.0919 45.5917 0.0000 173.9094 535 K 4.3117 8.4856 120.8832 55.1188 32.5621 175.8863 536 P 4.7290 0.0000 0.0000 62.9196 32.6168 175.6893 537 V 4.5503 8.8450 121.3657 61.1026 34.4380 174.7921 538 R 4.7532 9.1091 128.0249 56.3090 31.3319 175.6539 539 V 4.8022 9.0751 124.0775 61.0783 34.3019 174.1848 540 V 5.0101 8.7726 127.8072 61.2981 34.1771 174.1944 541 R 4.9812 8.9183 126.6772 54.7254 32.3310 174.8614 542 N 5.5122 8.8700 122.1360 51.6622 41.7889 175.4789 543 M 4.8448 8.7035 120.4303 57.4631 31.4762 178.7853 544 K 4.0833 8.5709 118.9655 58.7981 32.4601 178.1851 545 G 3.7768 8.3664 107.6039 46.8768 0.0000 175.5540 546 G 3.7218 7.8526 108.7361 47.4683 0.0000 174.5619 547 K 4.4064 7.9220 118.1963 56.8893 32.1888 176.7731 548 H 4.8989 7.8005 111.4338 54.8899 31.7549 173.1436 549 S 4.5352 7.9399 115.9218 55.9953 64.2391 174.3489 550 K 3.9993 8.3231 125.7542 58.2591 32.7768 177.0774 551 Y 3.7690 7.2127 116.6392 58.7875 38.3773 176.0308 552 A 4.0894 7.7140 122.6318 51.2283 19.2342 175.4747 553 P 4.4288 0.0000 0.0000 62.4522 32.0643 177.5732 554 A 4.0749 8.4328 122.6393 54.5858 18.6770 177.6145 555 E 4.5985 7.5765 114.8200 55.5206 33.7582 176.6931 556 G 3.7663 8.6245 111.9561 46.0860 0.0000 171.8922 557 N 5.6881 9.0067 118.4998 51.5444 43.2206 173.7862 558 R 5.0275 9.1620 122.2483 54.7628 33.9500 173.2324 559 Y 5.0369 9.3099 128.5591 57.7438 39.4948 175.0480 560 D 4.6277 8.8948 126.5471 53.8910 42.2098 175.8480 561 G 3.3874 6.4434 104.1900 44.5066 0.0000 171.7685 562 I 5.0048 8.5160 119.4142 60.7997 38.6846 175.1409 563 Y 5.3564 9.4501 123.5360 56.2548 42.2962 174.5838 564 K 5.0310 9.2296 119.4511 54.5916 36.9141 176.0267 565 V 4.2521 8.5281 123.2450 63.0082 31.5570 175.8792 566 V 4.1605 9.3567 130.1650 65.6296 32.6883 175.6206 567 K 5.1985 8.0066 117.0721 56.5688 35.7821 173.8291 568 Y 5.5280 8.7930 118.3438 55.8248 41.6575 173.8056 569 W 5.4330 8.7243 116.8283 55.1233 31.8321 171.5272 570 P 4.3923 0.0000 0.0000 61.7589 32.4178 174.5463 571 E 4.7245 8.4746 118.2814 55.1832 33.6409 174.0545 572 R 4.8894 7.9433 119.5905 53.8511 32.1548 175.8424 573 G 4.0639 8.3752 118.9406 44.7622 0.0000 173.9218 574 K 3.9545 8.6935 118.5644 59.6813 32.8133 178.5360 575 S 4.1578 8.0127 113.2687 59.3196 63.2923 175.2732 576 G 3.7707 8.2068 109.3817 45.0500 0.0000 173.5880 577 F 4.7830 7.5573 118.4663 56.6806 40.9074 174.6650 578 L 4.5795 9.1689 123.8809 54.9017 43.2977 176.0788 579 V 4.8543 8.6792 118.8496 59.3237 35.7938 174.3856 580 W 4.6431 9.4117 123.4742 55.4600 30.8816 175.7465 581 R 4.8780 8.2268 122.9447 54.4205 33.2927 174.2911 582 Y 5.1644 8.8009 118.4536 56.2548 42.9627 173.8832 583 L 5.0570 9.2869 124.8463 53.4829 44.6202 175.0081 584 L 5.2675 8.5458 126.2861 52.9038 44.9223 175.5062 585 R 5.1566 8.9537 122.1365 54.2604 33.6497 174.3575 586 R 3.5213 8.8998 126.8665 56.4134 30.6630 176.2328 587 D 4.8527 9.0159 125.9591 52.3114 41.5562 172.8811 588 D 4.7411 8.0278 120.2877 52.0782 44.5708 175.4476 589 T 4.0806 8.5649 115.2902 63.1122 69.4215 174.1371 590 E 4.5663 8.2018 122.5766 53.7943 31.1975 174.1948 591 P 4.3393 0.0000 0.0000 62.0745 32.4132 176.0449 592 E 3.4742 8.0790 119.1273 55.6181 29.6204 176.7505 593 P 4.2481 0.0000 0.0000 64.9700 31.5192 177.4046 594 W 4.5040 7.4125 113.3101 57.6182 28.8490 176.8410 595 T 4.4658 7.2329 111.1986 60.5215 71.0760 175.3991 596 R 3.8658 8.4479 121.0516 59.8506 29.9973 178.4074 597 E 4.0593 8.1679 117.8852 59.2653 29.4441 179.3068 598 G 3.5349 8.0986 105.7997 47.7867 0.0000 175.9169 599 K 3.9944 8.3450 121.1837 59.2609 32.0382 179.2343 600 D 4.3812 8.1885 119.2441 57.3297 40.6273 179.0925 601 R 3.8912 8.0330 118.6341 59.4604 30.0661 178.9949 602 T 3.8241 8.0921 115.8264 66.6671 68.5167 176.3881 603 R 3.8507 7.9575 120.2930 59.7459 29.9177 178.6398 604 Q 4.0302 7.7884 116.2818 58.7697 28.8148 178.1472 605 L 4.2815 8.2837 118.2844 54.5903 41.9289 177.2737 606 G 3.8806 7.6787 106.2966 46.2916 0.0000 173.8782 607 L 4.1212 7.8531 120.3391 54.3150 42.0921 176.9613 608 T 4.6585 7.9750 112.4483 59.1885 71.8424 173.1286 609 M 3.9298 8.5937 122.4774 56.4049 32.7851 175.3301 610 Q 4.5908 8.6569 125.5705 55.2740 30.5843 174.6305 611 Y 5.2096 8.5862 120.0467 55.0723 41.6820 173.7414 612 P 4.4616 0.0000 0.0000 62.8190 32.0648 176.6759 613 E 4.2167 8.7438 118.3895 56.7137 29.7116 176.6035 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 413 T 8.17 4.24 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 0.00 414 E 8.59 3.85 0.00 1.99 1.79 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 2.24 2.36 0.00 415 C 8.39 4.18 0.00 3.08 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 0.00 416 T 8.28 4.51 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 1.24 0.00 0.00 417 I 7.73 3.87 1.84 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 1.38 0.54 0.90 0.00 0.00 418 V 7.21 4.47 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 0.61 0.00 0.00 0.75 0.00 0.00 419 P 0.00 4.38 0.00 2.32 2.12 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.93 0.00 420 A 8.41 3.85 1.19 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 0.00 0.00 421 N 7.54 3.28 0.00 2.61 2.66 0.00 0.00 5.97 7.90 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 0.00 422 H 7.51 4.19 0.00 3.08 3.17 0.00 5.93 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 0.00 423 F 8.49 4.57 0.00 3.10 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 0.00 424 G 8.84 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 0.00 425 P 0.00 4.49 0.00 2.16 2.17 0.00 3.77 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 2.12 2.27 0.00 426 I 8.07 4.07 1.82 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 1.31 0.90 0.90 0.00 0.00 427 P 0.00 4.34 0.00 2.02 2.02 0.00 3.62 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 1.99 2.10 0.00 428 G 9.19 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 0.00 429 V 7.52 4.23 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 1.01 0.00 0.00 1.01 0.00 0.00 430 P 0.00 4.62 0.00 2.29 2.19 0.00 3.78 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 2.07 1.95 0.00 431 V 8.34 3.65 2.03 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 0.68 0.00 0.00 0.85 0.00 0.00 432 G 9.07 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 0.00 433 T 7.78 3.79 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 0.17 0.00 0.00 434 M 7.89 5.04 0.00 1.79 1.72 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 435 W 9.10 5.22 0.00 3.15 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 0.00 436 R 8.75 3.51 0.00 0.84 1.14 0.00 2.61 0.00 0.00 2.95 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 437 F 7.82 5.09 0.00 3.23 2.79 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 0.00 438 R 8.81 3.88 0.00 1.83 2.02 0.00 3.26 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 439 V 7.76 3.30 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 0.84 0.00 0.00 0.96 0.00 0.00 440 Q 7.92 3.89 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 441 V 7.17 2.00 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 0.56 0.00 0.00 0.68 0.00 0.00 442 S 7.78 4.50 0.00 3.74 3.72 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 0.00 443 E 7.98 3.96 0.00 1.91 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 2.43 2.56 0.00 444 S 7.60 4.29 0.00 4.18 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 0.00 445 G 7.84 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 0.00 0.00 0.00 446 V 7.49 3.48 1.73 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 0.63 0.00 0.00 0.85 0.00 0.00 447 H 7.52 4.74 0.00 3.17 3.02 0.00 5.88 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 448 R 8.37 3.78 0.00 1.53 1.93 0.00 3.16 0.00 0.00 3.11 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 449 P 0.00 4.29 0.00 2.15 1.94 0.00 3.03 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 450 H 8.93 4.28 0.00 3.06 3.36 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 512 A 7.85 3.86 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 0.00 513 L 7.75 3.72 0.00 1.46 1.20 0.70 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 514 A 7.75 3.36 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.79 3.89 0.00 1.76 1.69 0.92 1.27 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 0.00 516 N 7.88 4.33 0.00 2.96 3.01 0.00 0.00 6.55 7.53 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 0.00 517 C 7.48 4.66 0.00 3.18 3.17 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 0.00 518 H 8.73 4.68 0.00 3.31 3.29 0.00 5.78 0.00 0.00 0.00 0.00 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 S 7.22 4.77 0.00 3.99 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.73 0.00 2.22 2.12 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.04 0.00 537 V 8.84 4.55 2.33 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 1.10 0.00 0.00 0.98 0.00 0.00 538 R 9.11 4.75 0.00 2.08 2.13 0.00 3.01 0.00 0.00 3.38 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 539 V 9.08 4.80 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 0.68 0.00 0.00 0.97 0.00 0.00 540 V 8.77 5.01 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 1.00 0.00 0.00 1.16 0.00 0.00 541 R 8.92 4.98 0.00 1.86 1.81 0.00 3.35 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 542 N 8.87 5.51 0.00 2.86 2.79 0.00 0.00 6.71 8.45 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 0.00 543 M 8.70 4.84 0.00 2.25 2.30 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 2.58 2.50 0.00 544 K 8.57 4.08 0.00 1.93 1.98 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.48 7.81 545 G 8.37 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 0.00 0.00 0.00 546 G 7.85 3.72 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 0.00 0.00 0.00 547 K 7.92 4.41 0.00 1.78 1.85 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.59 7.81 548 H 7.80 4.90 0.00 3.18 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 S 7.94 4.54 0.00 3.51 3.60 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 0.00 550 K 8.32 4.00 0.00 1.54 1.62 0.00 1.22 0.00 0.00 1.42 0.00 0.00 2.68 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.60 0.21 7.81 551 Y 7.21 3.77 0.00 2.79 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 0.00 0.00 0.00 0.00 552 A 7.71 4.09 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 0.00 553 P 0.00 4.43 0.00 2.43 2.23 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 554 A 8.43 4.07 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 0.00 0.00 0.00 0.00 0.00 555 E 7.58 4.60 0.00 1.86 1.74 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 2.09 2.22 0.00 556 G 8.62 3.77 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 0.00 0.00 0.00 557 N 9.01 5.69 0.00 3.00 2.87 0.00 0.00 6.79 8.49 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 0.00 558 R 9.16 5.03 0.00 1.87 1.81 0.00 3.15 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 559 Y 9.31 5.04 0.00 3.48 2.97 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 0.00 560 D 8.89 4.63 0.00 2.75 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 0.00 561 G 6.44 3.39 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 0.00 562 I 8.52 5.00 2.08 0.00 0.00 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 1.52 1.10 1.06 0.00 0.00 563 Y 9.45 5.36 0.00 2.88 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 0.00 564 K 9.23 5.03 0.00 2.05 1.97 0.00 1.57 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.57 1.47 7.81 565 V 8.53 4.25 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 1.02 0.00 0.00 1.02 0.00 0.00 566 V 9.36 4.16 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 0.65 0.00 0.00 0.67 0.00 0.00 567 K 8.01 5.20 0.00 2.07 1.92 0.00 1.39 0.00 0.00 1.77 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.49 1.76 7.81 568 Y 8.79 5.53 0.00 2.69 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 0.00 569 W 8.72 5.43 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 0.00 570 P 0.00 4.39 0.00 1.47 0.49 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 571 E 8.47 4.72 0.00 2.07 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 0.00 2.07 2.25 0.00 572 R 7.94 4.89 0.00 1.63 1.93 0.00 3.19 0.00 0.00 3.06 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 573 G 8.38 4.06 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 0.00 0.00 0.00 574 K 8.69 3.95 0.00 1.88 1.97 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.46 7.81 575 S 8.01 4.16 0.00 4.24 4.16 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 0.00 576 G 8.21 3.77 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 0.00 0.00 0.00 577 F 7.56 4.78 0.00 3.05 3.05 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 0.00 578 L 9.17 4.58 0.00 1.68 1.51 0.73 0.52 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 0.00 579 V 8.68 4.85 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 0.74 0.00 0.00 0.83 0.00 0.00 580 W 9.41 4.64 0.00 3.31 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 0.00 581 R 8.23 4.88 0.00 0.67 0.66 0.00 2.90 0.00 0.00 2.95 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.41 0.00 582 Y 8.80 5.16 0.00 2.95 2.89 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 0.00 583 L 9.29 5.06 0.00 2.10 1.76 1.12 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 584 L 8.55 5.27 0.00 0.34 1.25 0.73 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 585 R 8.95 5.16 0.00 1.46 1.13 0.00 2.29 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.33 0.00 586 R 8.90 3.52 0.00 1.42 1.63 0.00 3.06 0.00 0.00 2.96 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.78 0.00 587 D 9.02 4.85 0.00 2.73 2.51 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 0.00 588 D 8.03 4.74 0.00 2.52 2.34 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 0.00 589 T 8.56 4.08 4.22 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 1.19 0.00 0.00 590 E 8.20 4.57 0.00 2.04 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 2.26 2.37 0.00 591 P 0.00 4.34 0.00 2.09 1.96 0.00 3.70 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 1.89 1.91 0.00 592 E 8.08 3.47 0.00 1.16 1.12 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 1.87 1.95 0.00 593 P 0.00 4.25 0.00 2.11 2.10 0.00 3.27 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.96 0.00 594 W 7.41 4.50 0.00 3.45 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 0.00 595 T 7.23 4.47 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 1.04 0.00 0.00 596 R 8.45 3.87 0.00 1.91 1.98 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 597 E 8.17 4.06 0.00 2.03 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 2.37 2.41 0.00 598 G 8.10 3.53 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 0.00 0.00 0.00 599 K 8.35 3.99 0.00 1.95 1.87 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.48 1.78 7.81 600 D 8.19 4.38 0.00 2.85 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.89 0.00 1.95 1.94 0.00 3.48 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.87 0.00 602 T 8.09 3.82 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 1.19 0.00 0.00 603 R 7.96 3.85 0.00 1.88 2.11 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 604 Q 7.79 4.03 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 605 L 8.28 4.28 0.00 1.62 1.70 0.91 0.79 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 0.00 606 G 7.68 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 0.00 607 L 7.85 4.12 0.00 1.62 1.53 0.90 0.80 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 0.00 608 T 7.98 4.66 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 1.21 0.00 0.00 609 M 8.59 3.93 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.33 0.00 610 Q 8.66 4.59 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.40 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 611 Y 8.59 5.21 0.00 2.85 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 0.00 612 P 0.00 4.46 0.00 2.14 2.06 0.00 4.10 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.49 0.00 613 E 8.74 4.22 0.00 2.12 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 2.32 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.