NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 431 D 4.5647 8.2114 119.5469 53.0609 42.7597 177.1143 432 G 3.7625 8.3227 105.1244 48.2940 0.0000 174.6896 433 R 4.1523 8.7784 123.5505 60.7061 29.7235 178.8790 434 L 4.5013 7.8434 118.9495 58.3990 41.5344 179.8325 435 R 4.2821 7.9589 122.8024 61.6587 29.4717 184.6593 436 V 4.1001 7.6431 117.8941 64.6474 32.3342 180.0559 437 L 4.4399 7.7827 120.1998 55.1187 42.4349 177.0391 438 K 3.7465 6.1225 122.8831 51.6625 33.5651 175.0652 439 P 2.9700 0.0000 0.0000 64.2741 30.8707 178.4835 440 E 3.8730 7.6178 114.3349 59.1261 29.3206 178.8254 441 W 4.3344 7.7362 119.3042 58.7195 29.1547 177.2427 442 F 4.9417 8.3589 116.9774 57.8369 39.6662 175.1917 443 R 4.8767 7.4216 118.1722 57.5497 29.5668 176.0287 444 G 3.9681 9.3902 114.0801 45.5634 0.0000 172.3406 445 R 4.7913 8.5719 119.0628 54.5316 33.5466 174.6405 446 D 5.3689 9.5034 120.8872 53.3800 42.4655 176.0998 447 V 4.9883 9.1818 123.7193 60.9600 34.6711 174.2693 448 L 4.3200 8.6764 129.7228 53.2527 44.2284 174.6469 449 D 4.9930 9.1758 128.0928 52.7869 41.8904 174.9748 450 L 4.0484 8.7900 127.4729 54.4691 42.2511 177.8315 451 G 3.9222 8.3728 112.2609 46.8046 0.0000 173.1271 452 C 4.3428 8.7182 113.2004 58.1760 31.9388 175.3736 453 N 3.8297 8.1889 119.5013 55.3240 37.9522 175.2918 454 V 3.6686 8.2942 108.5473 61.2203 31.8095 177.1487 455 G 4.2054 8.6633 111.3118 45.1547 0.0000 175.9883 *456 H 4.0534 8.2626 121.1856 59.6916 27.7128 181.3499 457 L 4.0347 7.8285 122.7283 58.1192 41.9035 178.6480 458 T 3.8791 8.0588 115.2611 66.9745 68.3246 176.2601 459 L 4.1121 8.5320 120.8254 57.8816 41.5900 179.7166 460 S 3.7891 8.0087 115.1094 61.4694 62.6547 176.9532 461 I 3.0030 7.6204 122.2745 64.0652 36.6219 178.1386 462 A 4.0299 7.5561 120.3136 56.0287 18.1836 178.6067 463 C 3.8330 8.1352 120.1192 62.1550 31.2695 176.2630 464 K 3.6879 8.0123 123.7412 56.8131 31.7421 180.0641 465 W 4.9340 8.3205 117.0099 55.3396 30.3134 175.5517 466 G 4.3824 7.7322 106.7464 46.1662 0.0000 171.4833 467 P 5.0988 0.0000 0.0000 62.3913 32.7477 177.4099 468 S 4.3691 8.4512 116.6804 61.5546 63.7193 173.5524 469 R 4.6139 7.6238 118.4965 54.9958 34.2026 173.3235 *471 V 4.1314 8.2919 118.6035 62.7304 33.1041 174.1961 472 G 4.3825 8.6902 115.8858 44.6285 0.0000 171.9180 473 L 5.4444 8.7983 128.2365 53.5034 45.0146 174.6030 474 D 4.9698 8.8129 123.6653 53.0476 44.6045 175.9131 475 I 4.3339 8.5583 122.9019 62.1413 38.7197 175.5838 476 D 4.7940 8.3244 120.6738 52.5678 42.2680 176.9335 477 S 4.2385 8.5992 123.0760 61.1833 63.2753 176.5773 478 R 3.8705 8.5803 122.5993 59.1610 29.7656 178.8587 479 L 3.9323 7.7844 118.2047 57.8222 41.7067 179.3178 480 I 3.4943 7.5013 119.2467 64.5848 37.0293 177.8158 481 H 4.0325 8.3426 119.0006 59.4974 29.7425 177.2714 482 S 4.0269 7.9399 114.0654 61.1951 61.9012 175.9789 483 A 3.9222 7.4607 124.3580 54.4298 17.9984 179.5485 484 R 4.0546 7.5694 115.8173 59.3866 30.5343 179.0172 485 Q 4.1423 7.8789 117.7588 58.2464 28.3805 176.8721 486 N 4.8500 7.5388 116.2509 52.9564 39.5771 174.4673 487 I 4.5175 7.1352 122.4741 59.9361 40.6339 176.0679 *539 V 3.9768 7.9097 117.3709 59.8660 32.7922 172.6835 540 P 4.6700 0.0000 0.0000 62.1293 31.8589 176.9583 541 L 4.0879 9.4357 122.5504 57.2328 41.9073 176.7970 542 D 4.3554 7.3524 115.1266 53.2667 41.7767 176.7041 543 G 3.5697 8.8169 106.9552 48.3670 0.0000 174.4006 544 A 4.0909 8.5098 121.7547 53.0719 18.7477 176.9690 545 D 4.7190 8.1806 116.5719 52.8644 40.4013 175.1518 546 T 4.6087 8.1706 115.7042 61.2330 69.1460 176.5448 547 S 4.5647 7.7960 115.5602 59.1990 64.0462 174.1491 548 V 4.4971 7.2851 120.8355 60.3248 34.2146 174.1383 549 F 4.9421 9.1964 127.2948 57.8184 39.4927 172.9760 550 P 3.2505 0.0000 0.0000 62.4849 31.3504 176.0225 551 N 4.4912 8.0589 116.0559 54.5117 38.8468 175.1994 552 N 4.9851 8.2202 115.1691 51.5111 38.0267 174.2211 553 V 4.6946 7.3531 117.8525 60.3292 34.2069 175.1366 554 V 4.5103 7.9383 114.9278 59.8111 36.5294 173.8255 555 F 5.4573 8.7089 119.7717 55.8599 42.2305 175.0252 556 V 4.5894 9.2502 121.5746 61.5163 35.1500 174.1139 557 T 5.0277 8.4946 123.4541 62.2067 69.7723 174.4200 558 G 4.0627 8.7336 113.2667 46.0578 0.0000 171.5332 559 N 5.0160 8.7105 120.3923 52.0120 39.0424 174.5904 560 Y 4.0811 8.7317 128.0515 59.5664 39.2712 175.6436 561 V 3.5867 7.6947 120.3525 61.8986 31.5511 175.3509 562 L 4.3185 7.8692 127.3978 53.8258 42.6593 176.9946 563 D 4.4788 8.5698 121.6110 56.6628 41.3020 177.3983 564 R 4.7660 7.4687 115.9157 53.5920 35.4666 175.9851 565 D 4.4217 8.5362 120.3745 57.4113 40.6476 178.7844 566 D 4.4207 7.9785 118.6486 55.9900 39.7487 178.3593 567 L 4.0465 7.7801 120.1480 57.8072 41.8891 178.9854 568 V 3.4783 7.4465 117.7152 66.2565 31.1489 177.0747 569 E 4.1981 7.8206 115.2891 57.4309 29.6876 177.3725 570 A 4.3157 7.9515 119.5193 53.0097 19.3435 177.1854 571 Q 4.1069 7.4001 119.6349 56.4055 29.4139 175.8288 572 T 4.6955 8.2793 116.1819 59.1458 71.5468 172.4327 573 P 4.7308 0.0000 0.0000 63.2365 31.5619 176.2783 574 E 4.5951 9.7827 119.7240 55.8344 33.0117 174.7796 575 Y 4.7907 7.9568 116.1305 56.3747 41.9558 175.6710 576 D 4.6787 9.3125 120.4408 55.2854 43.2971 176.9397 577 V 4.8758 7.7428 117.5987 61.0275 35.3341 174.0941 578 V 4.6845 8.6122 127.2682 61.0715 34.3706 173.9327 579 L 4.7681 9.1625 128.5248 53.9005 43.3533 175.3875 580 C 4.7653 9.2557 124.9677 56.9862 32.0764 170.3261 581 L 4.8851 8.1891 120.6110 52.7355 43.5198 176.1957 582 S 4.0095 8.8760 120.9362 60.0431 61.3536 173.5922 583 L 4.8426 7.9755 121.8889 56.1939 43.6939 176.6942 584 T 3.9409 8.3001 111.8863 65.5448 68.2228 176.8332 585 K 3.6209 7.8220 127.5058 58.7606 31.7073 181.2130 586 W 4.4476 7.7131 120.0455 59.4664 28.9667 178.7552 587 V 4.3678 8.0740 118.1986 66.2050 30.9460 177.5506 588 H 4.2928 8.5910 118.4481 59.4674 29.6438 177.3307 589 L 3.9589 8.2322 121.0612 57.7875 41.2660 178.9797 590 N 4.1538 7.7845 114.2252 54.4460 38.7394 176.0143 591 W 4.9796 7.9892 117.1003 55.1920 32.0541 176.3201 592 G 4.1938 8.5910 110.8466 44.5550 0.0000 174.2299 593 D 4.5037 8.9872 119.6947 58.3061 40.5465 179.8730 594 E 4.2066 8.2732 117.9917 61.2581 29.6304 181.2626 595 G 3.8376 7.9493 105.7125 47.3911 0.0000 175.2703 596 L 3.8247 7.8286 124.3129 58.3503 42.3652 179.5565 597 K 4.3961 8.2236 123.9142 59.5620 31.4620 180.2882 598 R 4.5611 7.6482 117.0288 56.8469 30.3336 178.6982 *600 F 5.1492 7.9954 118.9637 57.8885 41.1588 177.6068 601 R 4.0076 8.3716 120.1574 59.3155 29.7094 178.4701 602 R 3.8695 8.2979 118.7032 59.4436 30.1683 178.2538 603 I 3.9717 8.1526 119.1741 64.8653 36.9529 177.2972 604 Y 3.7975 8.0140 118.4808 61.0054 38.6669 178.4527 605 R 3.9824 8.0936 117.0758 59.0341 30.4004 178.0358 606 H 4.5213 8.5162 118.1745 57.5027 30.0394 174.7536 607 L 4.8410 7.0443 119.7916 54.3192 42.5483 177.2259 608 R 4.3130 8.6881 121.4493 54.6203 31.9837 174.1805 609 P 4.3914 0.0000 0.0000 63.9149 31.4349 177.0392 610 G 3.9115 9.0973 112.8480 44.9445 0.0000 173.7780 611 G 4.0438 8.2723 108.0146 46.0484 0.0000 172.7853 612 I 5.3211 8.8549 113.4579 58.7470 41.4902 173.8783 613 L 5.0830 8.7569 125.8429 53.3718 44.7221 175.0628 614 V 4.5530 8.9988 129.6977 62.2310 33.0961 174.9650 615 L 5.2452 9.2339 130.7319 53.2607 44.4900 171.6605 616 E 5.0976 8.9657 125.1048 51.8196 29.9595 172.7588 617 P 5.2551 0.0000 0.0000 61.0478 32.8415 175.8766 618 Q 4.3510 8.7194 121.5264 54.8887 29.7721 174.6059 619 P 4.6020 0.0000 0.0000 61.8262 32.4667 177.1576 620 W 3.9493 9.1192 130.9546 60.8158 30.5287 178.2403 621 S 4.1981 8.7915 116.3841 62.6226 61.1015 177.6131 622 S 3.9342 8.5189 116.6943 61.2361 62.6572 177.6762 623 Y 3.5885 8.3972 118.9831 61.0387 37.7438 178.7330 624 G 3.7835 7.3912 109.2919 49.0750 0.0000 174.6656 625 K 3.5706 7.3008 122.1781 56.5707 32.3642 179.6816 626 R 3.7808 8.6462 125.2696 57.0807 26.2301 173.3777 627 K 4.4756 7.6555 118.9382 55.9011 32.2328 180.2739 628 T 4.7342 7.7139 111.5450 61.9973 69.9784 179.1224 629 L 4.2590 8.2471 127.0044 58.5397 41.4701 181.6105 630 T 4.8425 7.4735 113.0581 61.5492 73.5248 179.6467 631 E 4.2837 8.8801 124.3775 62.0340 29.7473 181.1805 632 T 4.1160 7.9079 116.6627 66.8696 68.5966 180.0374 633 I 4.3563 7.6903 126.7822 65.0542 35.5382 180.1949 *634 Y 4.4760 8.1457 126.3905 62.0873 36.3902 181.3619 635 K 4.3449 8.4489 126.1788 59.3683 31.5925 180.6633 636 N 4.7090 8.0803 118.0555 57.0378 38.4642 177.4459 *637 Y 3.8440 7.8573 118.2520 59.7554 36.9215 179.1208 638 Y 4.5472 7.5244 117.6170 59.7695 38.7234 177.7906 639 R 4.2121 7.5935 116.9523 58.0371 29.8635 181.8289 640 I 4.0556 8.0802 119.9639 62.6275 37.0212 176.3770 641 Q 4.5006 9.5238 123.2485 54.2177 29.0363 171.5556 642 L 4.5940 8.1713 122.3846 54.6831 43.0069 176.6939 643 K 4.4647 8.1718 127.7049 53.0605 33.0284 173.1694 644 P 2.0000 0.0000 0.0000 66.2214 30.8650 179.3827 645 E 3.9856 8.0569 117.7750 61.1419 29.7084 180.9570 646 Q 4.6811 7.8027 117.6234 57.3996 28.8328 181.5516 647 F 4.7904 7.8803 119.1805 61.8845 39.0941 177.5458 648 S 4.4555 8.2990 115.5141 62.5164 62.4841 177.2644 649 S 4.2452 8.0304 120.7793 62.9907 62.4466 177.0800 650 Y 4.4842 8.3790 123.2189 60.5243 38.5409 177.6687 651 L 3.8740 8.5172 120.2704 56.6250 41.2682 178.3750 652 T 5.2447 7.3430 108.8609 59.9088 69.5291 174.4635 653 S 4.6010 6.9221 116.8791 56.4549 64.7125 173.3763 654 P 4.1417 0.0000 0.0000 66.0789 31.2577 178.5083 655 D 4.3651 7.4411 115.7215 55.3984 39.4653 181.5309 656 V 3.8454 7.8641 117.0202 63.4202 32.8044 175.3070 657 G 2.6527 7.8818 110.7448 44.8372 0.0000 173.9253 658 F 4.2661 7.7834 122.8861 59.1765 39.3099 177.1696 659 S 4.4375 9.2284 126.7064 62.3713 62.8785 171.5791 660 S 4.7375 8.2265 117.0072 59.7486 66.6212 177.9211 *661 Y 5.3190 8.1241 119.7562 59.3864 40.7221 173.5827 662 E 4.7342 7.7909 113.0089 56.6418 33.9933 173.9531 663 L 4.3379 8.4918 123.5327 55.1485 42.9843 175.0976 664 V 4.0783 8.4087 121.1880 64.8061 33.7637 176.4811 *676 R 4.2445 7.5268 117.1757 54.8538 30.8732 175.6698 677 P 4.4274 0.0000 0.0000 63.1992 32.2910 175.3041 678 V 4.7706 7.7763 118.8262 61.4431 34.7867 173.7329 679 Y 5.2418 9.2840 124.1354 56.1798 42.3782 174.1584 680 L 5.0009 8.6173 121.9496 52.9342 44.6602 175.3916 681 F 4.9167 8.8289 122.1656 55.8606 41.7967 173.9973 682 H 5.3963 9.3136 121.0290 54.1057 31.3958 173.5097 683 K 4.8896 9.0845 124.1924 54.4065 34.0244 175.5285 684 A 4.4025 8.8638 131.3281 52.9245 19.8090 178.3137 685 R 4.1321 8.4383 117.8043 56.3978 29.6776 176.0611 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 431 D 8.21 4.56 0.00 2.62 2.75 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 0.00 432 G 8.32 3.76 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 0.00 0.00 0.00 433 R 8.78 4.15 0.00 1.83 1.95 0.00 3.26 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 434 L 7.84 4.50 0.00 1.72 1.66 0.44 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 435 R 7.96 4.28 0.00 1.94 1.84 0.00 3.26 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 436 V 7.64 4.10 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 0.98 0.00 0.00 0.93 0.00 0.00 437 L 7.78 4.44 0.00 2.08 2.08 1.14 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 438 K 6.12 3.75 0.00 1.65 1.67 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 0.99 7.81 439 P 0.00 2.97 0.00 1.59 1.04 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.86 0.00 440 E 7.62 3.87 0.00 2.09 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 2.10 2.34 0.00 441 W 7.74 4.33 0.00 2.70 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 0.00 442 F 8.36 4.94 0.00 3.31 3.29 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 0.00 443 R 7.42 4.88 0.00 1.97 1.96 0.00 3.10 0.00 0.00 3.89 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 444 G 9.39 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 0.00 445 R 8.57 4.79 0.00 1.84 2.01 0.00 3.28 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 446 D 9.50 5.37 0.00 2.65 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 0.00 447 V 9.18 4.99 2.26 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 1.01 0.00 0.00 1.25 0.00 0.00 448 L 8.68 4.32 0.00 0.27 0.80 0.62 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 449 D 9.18 4.99 0.00 2.81 2.57 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 0.00 450 L 8.79 4.05 0.00 1.62 1.43 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 451 G 8.37 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 0.00 452 C 8.72 4.34 0.00 3.31 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 0.00 453 N 8.19 3.83 0.00 2.82 2.43 0.00 0.00 7.19 8.43 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 0.00 454 V 8.29 3.67 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 0.74 0.00 0.00 0.89 0.00 0.00 455 G 8.66 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 0.00 0.00 0.00 *456 H 8.26 4.05 0.00 2.93 3.11 0.00 7.19 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 0.00 457 L 7.83 4.03 0.00 1.73 1.69 0.83 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 458 T 8.06 3.88 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 459 L 8.53 4.11 0.00 1.80 1.74 1.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 460 S 8.01 3.79 0.00 3.72 3.54 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 0.00 461 I 7.62 3.00 1.67 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.40 0.67 0.00 0.00 462 A 7.56 4.03 1.54 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 0.00 463 C 8.14 3.83 0.00 1.61 2.31 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 0.00 464 K 8.01 3.69 0.00 1.80 1.72 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.30 7.81 465 W 8.32 4.93 0.00 3.47 3.08 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 0.00 0.00 0.00 466 G 7.73 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 0.00 0.00 0.00 0.00 467 P 0.00 5.10 0.00 2.19 2.20 0.00 3.89 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.27 0.00 468 S 8.45 4.37 0.00 3.94 4.04 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0.00 0.00 0.00 2.44 2.41 0.00 486 N 7.54 4.85 0.00 2.81 2.82 0.00 0.00 6.79 7.98 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 0.00 487 I 7.14 4.52 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.89 0.00 0.00 *539 V 7.91 3.98 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 0.75 0.00 0.00 0.93 0.00 0.00 540 P 0.00 4.67 0.00 2.02 2.22 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.30 0.00 541 L 9.44 4.09 0.00 1.58 1.73 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 542 D 7.35 4.36 0.00 2.86 2.78 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 0.00 543 G 8.82 3.57 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 0.00 0.00 0.00 0.00 544 A 8.51 4.09 1.28 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 0.00 0.00 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612 I 8.85 5.32 1.58 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.60 0.80 0.00 0.00 613 L 8.76 5.08 0.00 1.83 1.33 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 614 V 9.00 4.55 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 1.09 0.00 0.00 0.81 0.00 0.00 615 L 9.23 5.25 0.00 1.31 1.48 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 616 E 8.97 5.10 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.18 0.00 617 P 0.00 5.26 0.00 2.29 2.44 0.00 4.15 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 618 Q 8.72 4.35 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 619 P 0.00 4.60 0.00 2.27 2.05 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 620 W 9.12 3.95 0.00 3.25 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 0.00 621 S 8.79 4.20 0.00 3.98 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 0.00 622 S 8.52 3.93 0.00 3.64 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 0.00 623 Y 8.40 3.59 0.00 2.29 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 624 G 7.39 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 0.00 625 K 7.30 3.57 0.00 1.82 1.67 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.40 1.29 7.81 626 R 8.65 3.78 0.00 1.93 1.82 0.00 3.22 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.17 0.00 627 K 7.66 4.48 0.00 1.67 1.79 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 0.99 7.81 628 T 7.71 4.73 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 1.21 0.00 0.00 629 L 8.25 4.26 0.00 1.66 1.61 0.92 0.78 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 0.00 630 T 7.47 4.84 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 1.21 0.00 0.00 631 E 8.88 4.28 0.00 1.97 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 2.31 1.94 0.00 632 T 7.91 4.12 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 1.21 0.00 0.00 633 I 7.69 4.36 1.87 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 1.49 1.50 0.91 0.00 0.00 *634 Y 8.15 4.48 0.00 2.31 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 0.00 0.00 0.00 0.00 635 K 8.45 4.34 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.36 7.81 636 N 8.08 4.71 0.00 2.98 2.88 0.00 0.00 6.95 8.78 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 *637 Y 7.86 3.84 0.00 2.31 2.25 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 0.00 638 Y 7.52 4.55 0.00 3.16 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 0.00 639 R 7.59 4.21 0.00 1.84 1.84 0.00 3.27 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 1.57 1.47 0.00 640 I 8.08 4.06 1.96 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 1.29 1.56 1.11 0.00 0.00 641 Q 9.52 4.50 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 642 L 8.17 4.59 0.00 1.54 1.89 0.99 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 643 K 8.17 4.46 0.00 1.72 1.66 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.02 7.81 644 P 0.00 2.00 0.00 2.00 2.09 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 645 E 8.06 3.99 0.00 2.06 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 0.00 2.23 1.96 0.00 646 Q 7.80 4.68 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 647 F 7.88 4.79 0.00 3.03 2.84 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 0.00 0.00 0.00 648 S 8.30 4.46 0.00 4.08 4.09 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 0.00 649 S 8.03 4.25 0.00 3.73 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 0.00 650 Y 8.38 4.48 0.00 3.13 3.20 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 0.00 651 L 8.52 3.87 0.00 1.16 1.09 -0.61 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 652 T 7.34 5.24 4.30 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 1.43 0.00 0.00 653 S 6.92 4.60 0.00 3.98 4.09 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 0.00 654 P 0.00 4.14 0.00 2.00 2.11 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.04 0.00 655 D 7.44 4.37 0.00 2.79 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 656 V 7.86 3.85 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 0.94 0.00 0.00 0.65 0.00 0.00 657 G 7.88 2.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 658 F 7.78 4.27 0.00 3.37 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 0.00 659 S 9.23 4.44 0.00 3.40 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 0.00 660 S 8.23 4.74 0.00 3.36 3.70 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 *661 Y 8.12 5.32 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 E 7.79 4.73 0.00 1.61 1.77 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 2.22 1.86 0.00 663 L 8.49 4.34 0.00 1.65 1.56 0.26 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 664 V 8.41 4.08 2.25 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 1.04 0.00 0.00 1.02 0.00 0.00 *676 R 7.53 4.24 0.00 1.90 1.74 0.00 3.32 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 677 P 0.00 4.43 0.00 1.81 2.13 0.00 3.69 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 2.27 2.09 0.00 678 V 7.78 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 1.17 0.00 0.00 0.99 0.00 0.00 679 Y 9.28 5.24 0.00 3.07 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 L 8.62 5.00 0.00 1.22 1.04 0.15 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 681 F 8.83 4.92 0.00 2.08 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 0.00 0.00 0.00 682 H 9.31 5.40 0.00 3.12 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 683 K 9.08 4.89 0.00 1.65 1.70 0.00 0.61 0.00 0.00 1.47 0.00 0.00 2.50 0.00 0.00 2.18 0.00 0.00 0.00 0.00 1.19 1.16 7.81 684 A 8.86 4.40 1.28 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 0.00 0.00 685 R 8.44 4.13 0.00 1.84 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.