NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 423 G 3.9831 8.3393 109.7372 45.6870 0.0000 173.0407 424 S 3.9322 8.7193 113.3051 60.7910 63.3057 172.4942 425 H 4.7428 8.1525 118.8955 55.1656 28.4904 175.7518 426 M 4.3481 8.4474 123.8791 53.9571 34.0827 174.1477 427 A 4.3366 7.6897 128.6369 52.4541 19.4240 176.3516 428 V 4.2345 8.7130 121.5768 61.1187 33.9911 174.4690 429 I 4.6376 8.3856 129.4470 60.5004 38.0511 175.3764 430 T 4.6581 8.6075 116.8023 58.6388 71.5986 173.3262 431 P 3.5606 0.0000 0.0000 65.1442 31.3246 177.9304 432 Q 4.4266 7.8070 115.8199 55.5565 29.0449 176.7404 433 G 3.8095 8.1183 107.2499 44.2200 0.0000 172.8620 434 V 4.1776 8.1320 119.0481 62.7482 32.2753 176.2184 435 T 4.7106 8.7211 116.2112 60.0231 72.0592 172.7420 436 N 4.2749 8.7505 115.5757 53.3829 35.7162 176.7529 437 W 5.1920 7.8365 126.8704 56.1574 31.9392 173.9098 438 T 4.3881 8.6235 117.0067 60.1618 71.3525 174.8966 439 Y 3.7713 8.2745 121.7234 60.7632 38.7892 177.8323 440 Q 3.7042 7.8976 119.9171 59.1550 29.1335 178.1526 441 E 3.5605 7.6141 119.4209 59.0025 29.4252 178.9763 442 L 3.4741 6.6110 120.2403 57.9621 41.9896 178.6771 443 E 3.6886 7.7350 119.2761 58.9940 29.4566 178.6177 444 A 3.8833 7.6033 120.7164 55.4232 18.3318 179.7917 445 T 3.8252 7.8339 114.2809 66.8537 68.4399 176.3492 446 H 3.9935 8.6867 120.5115 59.5197 29.8989 177.3471 447 Q 3.9397 8.3322 119.6651 58.7790 28.4752 178.6240 448 A 3.9716 8.0112 121.8416 55.1621 18.4455 179.6430 449 L 3.8853 8.0222 117.6877 58.1791 41.6194 179.8607 450 T 4.0703 8.1199 115.9327 66.9054 68.1935 176.9369 451 R 4.0187 7.9377 118.6421 58.9798 30.1445 178.1310 452 E 4.3582 7.9430 115.8117 56.5080 29.6917 177.3950 453 G 3.7915 8.1843 108.0961 45.8281 0.0000 172.8636 454 Y 5.0021 7.8268 116.2226 56.8654 39.7372 175.6156 455 V 4.6388 8.9256 114.4606 59.3531 35.8303 175.0230 456 F 3.8967 9.0496 127.8411 58.4737 39.3524 174.9384 457 V 3.9750 8.7333 117.5482 59.5677 33.8271 175.6569 458 G 3.7716 5.3800 108.2168 45.9821 0.0000 170.7729 459 Y 5.2848 8.5164 118.1977 57.2467 40.1017 174.6915 460 H 5.1234 9.7283 122.7801 54.4777 32.8065 172.2699 461 G 4.5152 8.6700 112.9506 45.3193 0.0000 172.1934 462 T 5.0188 8.6904 117.3356 61.5936 71.8561 172.2906 463 N 4.9836 8.7119 120.4546 52.3425 38.2248 175.7234 464 H 4.3124 8.6813 114.7759 58.5009 28.3930 178.0051 465 V 3.4774 7.5064 120.4500 65.9490 31.6035 177.6858 466 A 4.0126 8.4412 120.3091 55.0362 18.1194 179.4297 467 A 4.0047 8.1519 119.3652 55.3782 18.5017 179.5642 468 Q 3.8974 7.8800 118.1482 59.6300 29.1264 178.6372 469 T 3.8775 7.6927 116.6903 66.8449 68.2921 176.7033 470 I 3.7979 7.6617 120.3685 64.3411 37.2020 178.3508 471 V 3.8740 7.8019 118.2690 65.8781 31.3550 177.5878 472 N 4.4777 8.0392 115.4620 54.3047 38.7758 175.4963 473 R 4.2912 7.1738 114.3922 55.4768 33.8447 173.8519 474 I 4.0808 8.6116 126.7231 60.9749 37.7330 175.1762 475 A 4.6583 8.2182 127.2599 49.2866 22.1728 173.7139 476 P 2.0000 0.0000 0.0000 61.5822 31.1723 175.8290 477 V 3.2751 6.5971 121.7683 65.1879 32.2532 176.1412 *485 N 4.9868 8.1898 115.8553 53.7807 41.0239 176.7537 486 E 4.2179 8.3204 115.4546 59.0565 30.1373 178.1102 487 E 4.3037 8.3654 118.2377 58.7729 30.2774 178.3613 488 K 3.7287 8.2620 119.4474 58.9937 32.1738 177.5409 489 W 4.7865 8.1377 116.4880 56.3787 29.2642 176.6809 490 G 3.9617 8.0528 108.0140 44.7406 0.0000 174.7657 491 G 2.8201 7.9776 109.0941 44.5829 0.0000 170.5765 492 L 4.1764 6.7476 122.1927 53.9484 43.1259 175.3705 493 Y 4.8328 8.7594 124.4750 57.2242 39.1710 175.2829 494 V 4.9910 9.0171 116.3584 59.7206 36.9758 174.1837 495 A 5.1550 9.0519 122.7598 50.7430 21.9607 177.6998 496 T 4.1541 8.9637 111.3348 63.7251 69.8102 174.1876 497 H 4.6937 8.2774 122.6200 54.6917 30.0511 174.9283 498 A 3.8286 8.6948 130.1545 55.3783 18.0501 178.5162 499 E 3.7739 7.8395 117.1000 59.1840 29.3979 179.1270 500 V 3.6059 7.6997 117.5382 66.0671 31.9859 177.6368 501 A 4.3650 8.0987 120.0347 55.4647 18.3012 178.8898 502 H 4.2220 8.6137 117.2275 59.2173 29.6622 177.6510 503 G 3.4884 7.9390 106.7013 46.9426 0.0000 174.1165 504 Y 4.5550 7.8494 116.8024 57.3711 39.8378 175.5912 505 A 4.8864 7.6734 126.4778 49.6140 17.4160 176.5322 506 R 4.7957 7.0330 115.7430 54.5078 32.4344 175.7136 507 I 3.9674 8.2383 120.7716 61.5270 37.6193 176.8469 508 K 4.7529 8.7055 121.5538 56.5891 34.0006 175.8827 509 E 4.8288 8.0631 118.7507 54.5823 33.1222 175.2963 510 G 3.6874 8.6922 112.4073 45.3315 0.0000 173.4622 511 T 4.3433 8.4758 110.3573 60.8992 69.6700 174.6046 512 G 3.8560 7.9101 113.0851 44.3724 0.0000 172.9319 513 E 3.8212 8.3105 116.8155 57.6123 29.7549 176.8920 514 Y 3.6359 8.7468 117.1867 58.8581 35.4507 170.2441 515 G 3.9444 8.1164 106.0191 46.2686 0.0000 174.4889 516 L 4.2342 7.6542 119.6896 53.2526 42.2485 175.3054 517 P 4.5496 0.0000 0.0000 62.4663 32.0879 176.7772 518 T 4.1685 8.7748 111.9280 61.0098 70.9960 175.6838 519 R 3.8201 8.4508 120.1251 59.5635 30.0432 177.9756 520 A 3.9935 7.9620 119.8896 55.3527 18.1815 179.2286 521 E 3.9032 7.8765 115.7497 59.7264 29.5756 179.6123 522 R 4.1208 7.9145 117.1072 59.1256 30.2296 178.2810 523 D 4.5557 8.0741 116.6579 54.9855 41.3088 176.7527 524 A 4.5201 7.1494 120.8879 52.1074 19.2518 177.1352 525 R 4.7535 8.7876 118.2724 54.4106 34.0694 176.6018 526 G 4.0576 8.7938 110.1274 45.7869 0.0000 171.9528 527 V 4.8844 8.7099 118.6999 61.3731 35.1800 174.7204 528 M 4.9396 8.7780 126.7910 54.2629 33.7419 175.0133 529 L 5.3463 9.3119 123.8348 53.1134 45.6471 175.4496 530 R 4.9913 9.4561 121.0525 54.6802 32.5538 175.2354 531 V 4.9332 8.5571 124.3461 61.3993 33.9424 173.9274 532 Y 5.3198 9.3268 125.3832 56.1271 41.3885 174.6591 533 I 5.0037 8.5377 116.2785 58.1717 41.2293 173.4749 534 P 4.3251 0.0000 0.0000 62.3129 32.0665 177.9108 535 R 3.7707 8.6402 119.1893 59.4467 29.2637 179.1789 536 A 3.9815 7.8670 120.7296 54.8870 18.3512 179.2937 537 S 4.2201 8.2201 113.3312 60.8580 62.6086 176.4216 538 L 3.9218 7.5143 121.2997 57.2008 41.2968 178.4961 539 E 4.0358 7.8392 118.2499 58.0504 29.9828 176.7248 540 R 3.9809 8.0148 118.5247 55.8432 31.2369 175.8140 541 F 4.5947 7.7174 122.6988 56.6289 40.4560 173.5878 542 Y 4.9640 8.0979 122.9606 56.3423 40.1807 174.4723 543 R 4.9320 8.3561 120.5929 55.0944 33.1782 174.0656 544 T 4.8550 8.9396 118.2430 60.4943 70.8701 174.3198 545 N 4.5916 8.9094 122.5878 54.7920 39.2204 175.8338 546 T 4.0636 7.6385 116.4296 62.1685 69.1966 172.7597 547 P 4.3961 0.0000 0.0000 62.9751 32.1223 177.1370 548 L 3.9341 8.6653 123.2326 57.9411 41.7423 179.4208 549 E 3.4072 7.9259 116.5361 58.7412 29.3610 177.4163 550 N 4.7618 8.2348 113.5655 53.1860 39.2070 175.4193 551 A 4.6252 7.9830 120.0414 51.8393 19.2519 178.2971 552 E 3.8269 8.3161 121.6919 60.1726 29.6470 178.8645 553 E 3.8697 8.0805 117.9078 59.5723 29.6053 178.5151 554 H 4.0248 8.1246 117.6444 59.3823 29.8704 176.9989 555 I 2.9419 7.8417 122.0461 64.4216 36.8606 178.5727 556 T 3.8845 7.8590 112.1019 64.2277 68.2577 176.3469 557 Q 3.8653 7.7446 121.6703 58.7685 29.1182 178.0868 558 V 3.5855 7.4273 118.7827 65.6994 31.7408 177.6230 559 I 3.9630 7.7363 110.8939 61.1729 37.7886 176.7583 560 G 3.8511 9.2274 108.6582 45.7196 0.0000 172.3090 561 H 4.6667 7.1461 113.6446 54.0725 30.9353 173.0578 562 S 4.2409 8.3417 114.5757 57.5141 63.6062 174.1566 563 L 3.9280 7.9816 121.7124 54.2876 41.8254 175.4413 564 P 4.6940 0.0000 0.0000 60.8662 32.4867 175.9631 565 L 4.3592 8.1602 118.7235 55.4402 43.4312 175.6555 566 R 4.4952 9.2462 119.5918 56.6578 29.3526 178.6489 567 N 5.0253 8.9997 123.5140 52.5359 37.4827 172.1127 568 E 5.0763 7.4416 119.3821 55.3393 35.1975 175.1140 569 A 5.0251 8.9180 122.0349 50.1856 23.0427 174.8912 570 F 4.7891 8.9398 121.6672 56.6164 42.8368 173.8597 571 T 5.0147 8.2932 122.3147 61.8951 71.8117 173.4715 572 G 4.3379 8.2959 110.4721 44.9138 0.0000 170.6162 573 P 4.9026 0.0000 0.0000 62.8077 31.9234 178.0169 574 E 4.3659 9.5165 122.6239 59.1178 30.8728 176.6198 575 S 4.4891 7.7392 112.8416 56.4903 65.8500 173.0378 576 A 4.0927 8.2972 124.3432 53.5811 18.2797 178.2579 577 G 3.8957 9.0231 111.1739 45.2237 0.0000 173.5104 578 G 4.1271 7.7261 106.7690 44.1483 0.0000 173.7522 579 E 4.4189 8.5405 119.3829 55.9067 30.8990 176.5174 580 D 5.1041 8.6354 121.1447 54.5917 41.8233 175.6501 581 E 5.0185 9.2085 118.7137 54.9286 33.7163 174.5417 582 T 4.8876 8.8929 117.2444 61.7979 72.2080 173.0336 583 V 3.8075 8.5177 127.0213 61.1612 33.4170 174.4956 584 I 4.3120 8.2814 130.4750 59.4299 38.4493 175.8143 585 G 3.9777 8.6627 115.4039 45.5213 0.0000 173.9781 586 W 4.6593 8.8952 122.5526 60.0489 28.8818 178.6828 587 D 4.5215 8.2777 117.1824 57.0761 40.5387 177.8894 588 M 4.3165 8.0662 118.1890 58.2678 32.5532 177.8630 589 A 4.1361 8.4288 121.5046 54.9102 18.3058 179.2320 590 I 4.0439 7.9446 110.3245 63.3583 37.7547 176.9942 591 H 4.7916 8.1114 116.4408 55.1927 29.2342 174.6097 592 A 4.8314 7.6260 123.5505 51.2760 20.2023 176.9019 593 V 4.5367 8.9161 117.9136 61.0970 35.0522 174.0510 594 A 5.5843 8.7336 128.1604 50.1288 21.5215 175.4043 595 I 4.6596 8.7799 114.8340 58.0833 41.2807 173.3141 596 P 4.8324 0.0000 0.0000 63.1122 31.8300 176.1935 597 S 4.9801 9.1129 119.1337 58.1614 63.4212 174.0123 598 T 4.5167 9.7480 112.0830 61.9355 69.1969 175.1906 599 I 3.9132 7.9160 125.0135 60.4658 37.4005 174.3528 600 P 4.4011 0.0000 0.0000 62.5019 31.7538 176.3132 601 G 4.3812 8.3290 108.3216 45.8338 0.0000 171.5251 602 N 5.0438 8.5015 118.0172 52.6412 41.8113 173.0855 603 A 4.9751 8.2084 118.1989 50.8386 22.2608 176.2351 604 Y 4.2968 8.8833 119.3593 59.8088 38.7723 176.5177 605 E 4.2746 8.0516 119.4173 54.6169 29.9746 175.9814 606 E 4.3279 8.5301 124.0769 56.3202 30.2333 176.4975 607 L 4.8150 8.7147 121.6833 52.5175 45.1372 176.6080 608 A 4.1766 8.3341 124.2026 51.5563 19.1246 177.6666 609 I 3.3578 7.9251 121.2937 60.9242 38.7761 176.3787 610 D 4.5560 8.2820 125.2360 53.3550 40.8804 176.7266 611 E 3.9589 8.5023 127.8083 59.0391 29.6131 178.5988 612 E 3.8700 8.2468 118.9042 59.2631 29.6986 178.6281 613 A 3.9953 8.0427 120.6941 54.7660 18.2127 179.7093 614 V 3.4615 7.5113 115.9330 66.1797 32.0035 177.7846 615 A 4.0823 8.2735 120.8149 55.0942 17.9846 179.5124 616 K 3.6427 7.8736 117.0499 59.0905 32.3902 177.9773 617 E 4.3910 7.8623 116.4600 56.6552 29.7438 177.8800 618 Q 3.9934 7.7482 121.2868 59.3414 28.9079 178.4658 619 S 4.2194 8.0635 113.6109 60.4697 63.0696 175.2151 620 I 4.3071 7.1098 114.5516 60.3805 37.7036 175.6234 621 S 3.8386 7.7578 115.7687 58.4046 63.9603 174.6249 622 T 4.2209 7.9284 109.3343 61.0237 69.3842 174.1280 623 K 4.1823 8.4292 122.4630 55.8825 32.6685 175.5123 624 P 4.3897 0.0000 0.0000 61.1513 32.2701 174.2424 625 P 4.2633 0.0000 0.0000 62.8837 31.9401 175.1254 626 Y 5.0611 8.0824 116.9880 56.2103 41.5099 175.6753 627 K 4.3771 8.9797 122.5345 55.8703 33.1485 176.7859 628 E 4.3581 8.5336 125.5402 56.5605 29.2392 174.6612 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 8.34 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 0.00 0.00 0.00 424 S 8.72 3.93 0.00 4.02 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 0.00 425 H 8.15 4.74 0.00 3.28 3.48 0.00 5.73 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 M 8.45 4.35 0.00 1.91 2.08 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 427 A 7.69 4.34 0.21 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 0.00 428 V 8.71 4.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.99 0.00 0.00 429 I 8.39 4.64 2.04 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 0.62 1.00 0.00 0.00 430 T 8.61 4.66 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 3.56 0.00 2.12 2.00 0.00 3.54 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 2.08 2.06 0.00 432 Q 7.81 4.43 0.00 1.99 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.33 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 433 G 8.12 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.18 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 8.72 4.71 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 8.75 4.27 0.00 2.94 3.01 0.00 0.00 6.59 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 7.84 5.19 0.00 3.37 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 0.00 438 T 8.62 4.39 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 1.21 0.00 0.00 439 Y 8.27 3.77 0.00 3.09 3.01 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 0.00 440 Q 7.90 3.70 0.00 2.09 1.95 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 2.27 2.36 0.00 441 E 7.61 3.56 0.00 1.37 1.39 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 2.15 2.12 0.00 442 L 6.61 3.47 0.00 1.09 1.21 1.25 0.87 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 0.00 443 E 7.74 3.69 0.00 1.16 1.51 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 2.20 2.42 0.00 444 A 7.60 3.88 1.24 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 0.00 0.00 0.00 445 T 7.83 3.83 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 1.26 0.00 0.00 446 H 8.69 3.99 0.00 3.23 3.46 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 8.33 3.94 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 448 A 8.01 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 449 L 8.02 3.89 0.00 1.46 1.39 -0.01 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 450 T 8.12 4.07 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 1.22 0.00 0.00 451 R 7.94 4.02 0.00 1.92 2.00 0.00 3.15 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 452 E 7.94 4.36 0.00 2.34 2.17 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 2.57 2.55 0.00 453 G 8.18 3.79 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 0.00 0.00 0.00 454 Y 7.83 5.00 0.00 3.01 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 8.93 4.64 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 0.66 0.00 0.00 0.81 0.00 0.00 456 F 9.05 3.90 0.00 2.42 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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7.51 3.92 0.00 1.60 1.59 0.75 0.13 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 0.00 539 E 7.84 4.04 0.00 2.01 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 2.32 0.00 540 R 8.01 3.98 0.00 1.75 1.86 0.00 3.27 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 1.57 1.50 0.00 541 F 7.72 4.59 0.00 3.01 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 0.00 542 Y 8.10 4.96 0.00 1.43 1.70 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 0.00 543 R 8.36 4.93 0.00 1.07 1.65 0.00 2.21 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.29 0.00 544 T 8.94 4.85 4.54 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 1.46 0.00 0.00 545 N 8.91 4.59 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 7.64 4.06 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 1.18 0.00 0.00 547 P 0.00 4.40 0.00 2.30 1.95 0.00 3.58 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 548 L 8.67 3.93 0.00 1.50 1.46 0.97 0.70 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 0.00 549 E 7.93 3.41 0.00 1.80 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 1.97 2.04 0.00 550 N 8.23 4.76 0.00 2.74 2.81 0.00 0.00 6.83 6.99 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 0.00 551 A 7.98 4.63 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 E 8.32 3.83 0.00 2.23 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 2.27 2.16 0.00 553 E 8.08 3.87 0.00 2.04 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 2.37 2.36 0.00 554 H 8.12 4.02 0.00 3.20 3.38 0.00 5.88 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 7.84 2.94 1.60 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.03 0.46 0.00 0.00 556 T 7.86 3.88 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 1.09 0.00 0.00 557 Q 7.74 3.87 0.00 2.15 2.20 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 2.35 0.00 558 V 7.43 3.59 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 0.22 0.00 0.00 0.74 0.00 0.00 559 I 7.74 3.96 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.43 0.93 0.00 0.00 560 G 9.23 3.85 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 0.00 0.00 0.00 561 H 7.15 4.67 0.00 3.30 3.38 0.00 5.65 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 8.34 4.24 0.00 3.93 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 0.00 563 L 7.98 3.93 0.00 1.31 1.45 -0.35 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 564 P 0.00 4.69 0.00 2.20 2.29 0.00 3.36 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 8.16 4.36 0.00 1.62 1.67 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 566 R 9.25 4.50 0.00 2.03 1.20 0.00 2.88 0.00 0.00 3.01 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 567 N 9.00 5.03 0.00 2.74 2.81 0.00 0.00 6.65 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 7.44 5.08 0.00 2.11 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 0.00 2.58 2.54 0.00 569 A 8.92 5.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.94 4.79 0.00 3.13 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 5.01 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 1.00 0.00 0.00 572 G 8.30 4.34 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 0.00 573 P 0.00 4.90 0.00 2.10 2.14 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.07 0.00 574 E 9.52 4.37 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 575 S 7.74 4.49 0.00 3.95 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 0.00 576 A 8.30 4.09 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 9.02 3.90 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 0.00 0.00 0.00 578 G 7.73 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 579 E 8.54 4.42 0.00 1.96 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 2.40 2.32 0.00 580 D 8.64 5.10 0.00 2.60 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 0.00 581 E 9.21 5.02 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.22 0.00 582 T 8.89 4.89 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 1.02 0.00 0.00 583 V 8.52 3.81 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 0.69 0.00 0.00 0.30 0.00 0.00 584 I 8.28 4.31 1.70 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.58 0.94 0.00 0.00 585 G 8.66 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 0.00 0.00 0.00 586 W 8.90 4.66 0.00 3.44 3.23 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 0.00 587 D 8.28 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 4.32 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.71 0.00 589 A 8.43 4.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 590 I 7.94 4.04 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.33 1.13 0.00 0.00 591 H 8.11 4.79 0.00 3.35 3.44 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 1.40 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 0.00 593 V 8.92 4.54 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 0.80 0.00 0.00 0.65 0.00 0.00 594 A 8.73 5.58 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 8.78 4.66 1.92 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 1.48 1.21 0.83 0.00 0.00 596 P 0.00 4.83 0.00 1.48 1.95 0.00 3.18 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.94 0.00 597 S 9.11 4.98 0.00 4.30 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 0.00 598 T 9.75 4.52 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 1.27 0.00 0.00 599 I 7.92 3.91 1.85 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.85 0.00 0.00 600 P 0.00 4.40 0.00 2.08 2.03 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 8.33 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 0.00 602 N 8.50 5.04 0.00 2.59 2.75 0.00 0.00 7.29 7.36 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 0.00 603 A 8.21 4.98 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 8.88 4.30 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 8.05 4.27 0.00 2.04 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 2.25 2.49 0.00 606 E 8.53 4.33 0.00 1.88 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 2.22 2.33 0.00 607 L 8.71 4.81 0.00 1.60 1.55 0.94 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 608 A 8.33 4.18 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 609 I 7.93 3.36 1.71 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.84 0.00 0.00 610 D 8.28 4.56 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 8.50 3.96 0.00 1.99 1.95 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 2.36 2.28 0.00 612 E 8.25 3.87 0.00 2.00 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 2.34 0.00 613 A 8.04 4.00 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 0.00 614 V 7.51 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 0.81 0.00 0.00 0.87 0.00 0.00 615 A 8.27 4.08 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 0.00 616 K 7.87 3.64 0.00 1.69 1.60 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 1.01 7.81 617 E 7.86 4.39 0.00 2.13 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 2.56 2.43 0.00 618 Q 7.75 3.99 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 619 S 8.06 4.22 0.00 4.06 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 0.00 620 I 7.11 4.31 1.24 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.52 0.87 0.00 0.00 621 S 7.76 3.84 0.00 3.77 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 0.00 622 T 7.93 4.22 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 8.43 4.18 0.00 1.85 1.90 0.00 2.02 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.62 1.56 7.81 624 P 0.00 4.39 0.00 1.67 1.86 0.00 3.73 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 1.37 1.73 0.00 625 P 0.00 4.26 0.00 2.10 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 1.81 1.87 0.00 626 Y 8.08 5.06 0.00 2.90 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 0.00 627 K 8.98 4.38 0.00 1.63 1.86 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.43 7.81 628 E 8.53 4.36 0.00 2.03 1.82 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 2.24 2.51 0.00 * Residues marked with a * may have inaccurate shift predictions.