NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 400 F 5.1073 8.3249 119.4218 57.4611 40.9707 175.5531 401 L 4.6631 8.1422 117.6786 54.0229 42.0928 176.6313 402 G 3.7852 8.9786 108.5701 45.3122 0.0000 172.3545 403 D 4.6661 8.3574 122.2283 55.1635 42.1331 174.9258 404 G 4.0538 9.1155 110.6510 43.4060 0.0000 174.2602 405 G 3.9429 8.7578 114.7912 45.5956 0.0000 171.5880 406 D 4.6934 8.3381 119.3848 51.5960 40.2656 176.5865 407 V 4.7921 8.6166 124.8915 62.6062 32.4848 175.1362 408 S 4.5918 8.1645 119.9507 56.9919 66.6304 172.6318 409 F 4.9555 7.8951 121.9387 56.5819 39.6034 175.4571 410 S 4.8217 8.6621 118.1619 56.2705 65.3185 174.8640 411 T 3.9882 8.7544 122.5425 66.2252 68.2854 175.2681 412 R 4.2593 8.6992 115.5662 56.0070 30.2948 176.0865 413 G 4.4310 7.3029 107.3855 43.8602 0.0000 171.9454 414 T 4.4032 7.9416 117.6409 62.5509 69.2638 175.0771 415 Q 4.1184 9.1431 126.8786 57.0010 29.2422 176.4787 416 N 4.5588 9.1810 118.9125 53.2985 35.7121 173.3981 417 W 4.8287 8.1406 127.3380 55.7225 33.2335 175.1857 418 T 4.6663 7.0363 114.0220 59.2057 72.7737 175.0558 419 V 3.5181 8.1679 120.2381 65.9985 31.3341 177.8923 420 E 3.8980 7.9253 118.1592 59.2161 29.3006 179.0224 421 R 3.6413 7.4156 118.5024 58.8771 29.9591 178.3020 422 L 3.8158 7.1875 120.3422 57.7970 42.0482 178.9407 423 L 3.9661 7.8043 119.2075 57.5552 41.4579 179.2544 424 Q 3.8786 7.7541 119.2808 59.1242 29.0273 177.8714 425 A 4.0115 8.0126 121.8481 55.5486 18.4407 179.0327 426 H 3.8820 8.4115 116.5568 59.4773 29.9489 177.6664 427 R 3.9524 8.1028 119.7469 59.3308 29.3727 178.9982 428 Q 4.0036 8.2381 117.8536 59.1951 28.7131 179.1617 429 L 4.0559 8.0373 119.8363 57.4377 41.4134 179.2982 430 E 4.2236 8.0816 120.9702 58.6505 29.4406 178.2374 431 E 4.0229 8.4718 118.5780 58.5444 29.5145 178.0540 432 R 4.7169 7.5267 115.4016 55.6431 31.0984 176.6976 433 G 3.8694 8.5660 106.9506 45.5704 0.0000 172.6992 434 Y 4.9024 8.2863 117.7220 56.0732 40.2756 175.1513 435 V 4.7174 9.1094 122.4368 59.7555 34.9200 174.4189 436 F 4.1941 8.9824 126.0389 57.7192 39.8317 175.2380 437 V 3.9631 8.5502 117.8097 59.4095 32.7841 175.2727 438 G 3.9251 5.3800 107.5759 43.7895 0.0000 171.6085 439 Y 5.2728 8.8710 118.9158 56.6820 41.0681 174.9438 440 H 4.9456 9.3626 120.7647 54.6339 33.3217 172.0961 441 G 4.5012 8.4882 112.9388 44.9616 0.0000 172.2860 442 T 5.0829 8.5561 112.8837 60.8336 72.7676 172.9119 443 F 4.8542 8.6967 116.0319 55.9465 39.3856 176.2057 444 L 3.9052 8.8443 121.4792 58.4370 41.4182 179.9076 445 E 4.0188 8.3387 117.3918 59.3199 29.5887 179.0749 446 A 3.6802 6.8087 120.0601 54.6623 18.3732 179.1528 447 A 3.4725 7.5611 119.4477 55.2402 18.4534 179.4178 448 Q 4.4509 7.8957 118.0391 59.7957 28.8875 179.0053 449 S 4.3488 8.0344 114.5922 61.1794 63.1704 176.5709 450 I 3.6710 7.6934 123.5645 64.3304 36.6857 178.5782 451 V 3.4973 7.5393 117.5444 64.6602 32.0853 175.9242 452 F 5.2104 7.4200 115.7599 55.7952 39.4023 174.4106 453 G 4.0419 7.7467 112.0911 45.0266 0.0000 174.6356 454 G 3.8713 8.2568 104.7650 45.0790 0.0000 173.6849 455 V 3.7257 7.8818 118.2819 62.1370 30.5674 174.7911 456 R 4.7778 8.1325 125.6366 54.1807 32.6231 177.1143 457 A 2.7442 8.1402 125.0230 50.5325 20.5977 176.4863 *464 A 4.1648 8.2256 115.9103 52.1695 19.9181 177.9918 465 I 3.4646 8.5290 122.8377 64.2035 37.1344 178.0804 466 W 4.8748 7.6796 117.4772 56.4904 29.5220 176.4591 467 R 4.3042 7.7668 116.4537 56.2374 29.5471 175.7967 468 G 3.3119 7.9807 108.1240 45.7214 0.0000 171.2323 469 F 4.7143 7.5968 122.0615 56.4230 41.3006 174.3612 470 Y 4.7726 8.1655 123.8989 56.7940 39.3946 174.6188 471 I 4.7802 8.4697 116.0216 59.2777 42.1549 173.6688 472 A 4.8038 9.2008 122.9480 50.5268 21.9665 178.0081 473 G 3.1840 9.0015 111.3370 48.1850 0.0000 173.3730 474 D 4.6626 8.1023 121.1453 52.3775 41.1065 174.5383 475 P 3.9815 0.0000 0.0000 66.0143 30.5137 178.0137 476 A 3.9761 7.8075 119.3286 54.8403 18.6081 179.1045 477 L 4.1302 8.1631 118.6481 58.3602 42.3045 179.0562 478 A 4.1687 8.0933 120.2806 55.2778 18.2579 178.7032 479 Y 4.1277 8.7424 118.5323 60.3718 38.5724 178.0472 480 G 3.6879 8.0827 104.6704 46.3011 0.0000 173.5663 481 Y 4.4357 8.1435 117.2875 57.7365 39.4055 175.8173 482 A 4.6697 7.2597 125.5162 49.9069 17.6234 176.3654 483 Q 4.6409 7.0237 117.6390 55.0225 31.3088 174.1950 484 D 4.3605 8.4822 119.6634 54.7328 41.1039 176.9226 485 Q 4.3367 8.5587 123.9795 56.8416 29.8190 176.0736 486 E 4.7352 7.4791 112.2898 52.8856 33.8028 178.9637 487 P 4.6417 0.0000 0.0000 63.1306 32.6032 176.6752 488 D 4.8626 8.1296 120.5277 52.2836 41.2217 176.8293 489 A 3.9338 8.7933 119.8351 55.8845 18.3825 178.8751 490 R 4.2824 8.5339 112.0511 55.9378 30.1980 177.0455 491 G 3.8508 8.0706 105.8756 46.3312 0.0000 174.0052 492 R 4.5432 7.9531 117.4799 54.4557 32.1425 175.8701 493 I 4.6683 7.9654 120.4801 60.0667 40.2508 174.4012 494 R 4.8665 10.5512 124.2118 53.4943 33.3194 174.3458 495 N 4.6036 8.8385 117.4326 53.3341 38.0242 173.1339 496 G 4.3852 7.8248 108.3155 44.7133 0.0000 171.6089 497 A 4.7599 8.7719 123.0187 50.3770 23.5863 175.2622 498 L 5.1669 8.4611 118.6019 53.1203 44.3790 175.8176 499 L 5.1106 8.9784 122.7864 53.0650 45.7411 175.3826 500 R 5.0542 9.0962 120.9075 54.8144 32.4315 175.3734 501 V 4.6311 8.9085 124.6965 61.6144 33.5758 174.0331 502 Y 5.3285 9.2493 125.4911 56.4591 41.2082 175.1586 503 V 5.0597 8.9501 115.4493 58.7890 36.7565 173.4868 504 P 4.1974 0.0000 0.0000 62.0412 32.0375 177.8193 505 R 3.8148 8.6362 122.5108 59.6619 29.6893 179.0299 506 S 4.1934 7.8749 111.9124 60.5405 63.3369 175.4901 507 S 4.4813 8.2143 118.6635 59.5939 62.9937 175.7293 508 L 3.9478 8.0133 122.5052 57.0511 41.1005 177.0358 509 P 4.3819 0.0000 0.0000 64.0138 31.6956 176.8776 510 G 4.0087 8.4270 107.4725 45.0185 0.0000 172.4579 511 F 4.6786 7.7440 119.3874 55.8818 40.8937 174.8468 512 Y 5.7534 8.6844 121.5720 55.6198 41.3296 174.8743 513 R 5.2210 8.4368 115.2201 55.4190 32.5566 174.0716 514 T 4.8096 8.8780 116.7717 60.4198 71.1576 174.1304 515 S 4.6684 8.7336 118.3087 58.0397 63.9465 174.2710 516 L 4.3603 7.3080 122.0024 54.2306 42.5753 176.5731 517 T 4.1468 8.1094 111.9696 60.9793 69.6408 175.6646 518 L 3.5964 8.2800 123.6918 56.3797 41.7244 177.8528 519 A 4.0396 7.5916 120.9266 53.6404 19.5317 177.9989 520 A 3.9225 7.8223 118.6712 52.1253 18.8589 176.4146 521 P 4.1262 0.0000 0.0000 65.9820 31.1874 177.3764 522 E 4.4197 8.1386 114.6832 55.9261 29.7776 177.5349 523 A 3.9626 8.7687 123.9167 55.6610 18.4236 179.4627 524 A 4.2696 8.5099 118.7867 55.9446 18.3829 180.0959 525 G 3.5352 8.0888 103.0451 47.6015 0.0000 175.3903 526 E 3.9503 7.9730 121.6727 59.2214 29.7064 179.0960 527 V 3.6524 8.5391 118.9441 65.8906 31.5378 177.8871 528 E 3.8869 8.4849 118.8517 58.9274 29.0070 179.1804 529 R 3.8456 7.6068 118.4790 58.9886 29.9849 178.3334 530 L 3.8474 7.4914 118.5182 57.6322 41.6020 179.0877 531 I 3.2893 6.9145 118.2547 62.7873 37.0230 177.5231 532 G 3.8838 9.6075 105.9929 45.1595 0.0000 172.2822 533 H 4.6589 7.1937 111.7175 53.3995 30.6546 171.8311 534 P 4.5298 0.0000 0.0000 62.4851 31.7604 176.2682 535 L 4.0372 8.2342 119.8183 53.8697 42.0535 175.7199 536 P 4.4686 0.0000 0.0000 61.9463 31.9836 176.6391 537 L 4.1783 8.1660 120.3395 55.2457 43.7292 175.1436 538 R 4.2620 9.8653 120.7821 56.7939 29.3471 177.8991 539 L 4.5481 8.9729 122.9175 56.0488 42.6967 174.6684 540 D 5.3012 7.3774 118.2800 53.1285 45.2574 175.4223 541 A 4.5194 8.0337 117.7145 51.3637 22.9984 175.6340 542 I 4.8769 8.1073 120.0642 59.6232 41.8440 173.9111 543 T 4.9690 8.5803 125.8860 61.8974 70.9377 173.8583 544 G 4.5671 8.9204 112.7593 43.7930 0.0000 169.9420 545 P 5.0813 0.0000 0.0000 62.3634 32.2701 176.1816 546 E 4.2175 9.9173 121.2833 55.9709 31.0074 176.3005 547 E 4.1141 8.7373 123.0407 57.2825 30.3746 177.4664 548 E 3.9466 8.9599 120.7003 56.9941 28.0720 174.9522 549 G 4.5031 7.7543 104.2898 46.8599 0.0000 174.1637 550 G 4.0491 7.7693 105.5881 44.7214 0.0000 174.0034 551 R 4.5042 7.8255 118.6350 55.2437 32.3411 175.2419 552 L 4.9487 8.3989 121.5828 53.8776 42.9559 175.9603 553 E 4.8146 9.1354 121.6463 54.7940 32.7211 174.8792 554 T 4.9128 8.4489 118.6407 61.8263 71.9194 173.2545 555 I 4.2666 8.1272 125.7915 59.3260 40.0305 174.8602 556 L 4.2805 8.5133 127.9953 53.2719 43.5322 176.9167 557 G 3.8088 8.2915 111.5267 44.7942 0.0000 174.6816 558 W 4.5862 8.8695 122.9289 59.6582 28.8060 177.0195 559 P 4.3018 0.0000 0.0000 65.4430 31.0406 178.1765 560 L 4.0890 7.8431 118.3245 57.9964 42.1775 178.3247 561 A 3.9336 8.1313 120.9899 55.3834 18.1540 179.4128 562 E 4.7603 8.3034 114.2901 58.1734 29.6822 178.2497 563 R 4.6048 7.9124 117.4542 56.0422 30.4402 176.0069 564 T 4.6942 7.7513 109.5141 60.6591 71.3213 173.9368 565 V 3.9387 8.4624 120.5384 61.0507 34.0628 174.0663 566 V 5.0498 8.3087 128.3062 61.1094 33.3196 174.5388 567 I 4.6178 8.3888 120.1216 58.0224 41.3028 173.0643 568 P 4.5603 0.0000 0.0000 62.6737 31.6578 176.3019 569 S 4.9579 8.5115 117.2534 57.6208 63.6835 173.8988 570 A 4.7585 9.7316 125.6759 52.2790 19.2009 177.5971 571 I 4.1094 7.7633 118.6795 59.9138 37.2870 174.1773 572 P 4.7094 0.0000 0.0000 62.2009 32.4788 175.6492 573 T 4.6461 8.2194 110.1364 60.4438 70.5404 173.5075 574 D 4.7852 8.7544 123.6626 52.4018 41.8597 175.6502 575 P 4.5785 0.0000 0.0000 64.5029 31.8346 177.1005 576 R 4.3828 8.3269 116.6972 56.2978 30.8557 176.6696 577 N 4.9240 7.7888 116.7786 52.3887 39.5547 174.7338 578 V 3.8665 7.5026 118.9420 64.6148 32.3118 175.5437 579 G 4.0203 9.1236 115.7596 45.1979 0.0000 173.5476 580 G 4.3932 7.5863 107.7324 45.1282 0.0000 172.9074 581 D 4.6064 8.1711 119.2070 52.8413 41.9834 176.3756 582 L 3.2537 7.7705 123.2537 53.9283 42.2406 176.0613 583 D 4.3488 8.3074 126.6084 53.4579 41.6897 174.8569 584 P 4.1871 0.0000 0.0000 65.7156 31.5617 178.8334 585 S 4.2025 8.2023 113.0835 61.0832 62.7917 175.0074 586 S 4.4726 7.9819 113.5741 58.4001 62.8526 173.6186 587 I 4.3103 7.3547 122.7720 59.2409 38.1822 173.9321 588 P 4.3786 0.0000 0.0000 62.3911 32.0292 176.7677 589 D 4.3987 9.0798 123.3692 57.9399 40.4937 179.5258 590 K 4.2409 7.9568 116.9134 58.8019 32.4389 178.3968 591 E 4.1361 8.7134 120.2901 58.7058 29.8473 177.9746 592 Q 3.9702 8.1064 118.9611 59.2841 28.8980 178.1983 593 A 3.9941 8.3383 121.7764 54.4584 18.5237 177.8171 594 I 4.3120 7.3919 113.5429 60.9544 37.9935 175.6191 595 S 4.4756 7.6533 112.9551 57.9261 63.1600 174.4277 596 A 4.2529 8.0457 122.5380 52.2123 18.7535 177.5489 597 L 4.7367 7.9517 118.8423 52.1260 44.6469 174.9188 598 P 4.2997 0.0000 0.0000 61.8787 32.1018 175.6840 599 D 4.2668 8.0824 119.6900 53.4774 41.3450 175.6641 600 Y 4.7162 7.7985 124.0827 56.9791 39.4466 175.0294 601 A 4.3711 8.5362 125.8264 51.9883 19.2693 178.5929 602 S 5.0060 8.9899 115.0729 57.2247 64.3806 173.9263 603 Q 4.7481 7.7096 118.4948 53.3724 30.8657 173.2595 604 P 4.3562 0.0000 0.0000 62.5250 32.4589 176.1730 605 G 3.8947 8.0508 109.1913 46.3469 0.0000 173.1218 606 K 4.7581 8.6392 127.6742 53.8990 33.7311 174.4509 607 P 4.3215 0.0000 0.0000 61.8883 31.6921 174.3780 608 P 4.3842 0.0000 0.0000 62.9867 31.6507 176.3370 609 R 4.1489 8.3336 116.2016 56.5486 30.1308 176.7705 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 400 F 8.32 5.11 0.00 3.06 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 0.00 401 L 8.14 4.66 0.00 1.97 2.15 0.99 0.47 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 0.00 402 G 8.98 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 0.00 403 D 8.36 4.67 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 404 G 9.12 4.05 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 0.00 0.00 0.00 405 G 8.76 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 406 D 8.34 4.69 0.00 2.72 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 407 V 8.62 4.79 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 0.42 0.00 0.00 1.18 0.00 0.00 408 S 8.16 4.59 0.00 3.87 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 0.00 409 F 7.90 4.96 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 0.00 410 S 8.66 4.82 0.00 3.79 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 0.00 411 T 8.75 3.99 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 1.24 0.00 0.00 412 R 8.70 4.26 0.00 1.96 2.08 0.00 3.14 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 413 G 7.30 4.43 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 414 T 7.94 4.40 4.36 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 0.84 0.00 0.00 415 Q 9.14 4.12 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 5.77 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 416 N 9.18 4.56 0.00 3.00 3.09 0.00 0.00 6.84 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 0.00 417 W 8.14 4.83 0.00 3.32 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 0.00 418 T 7.04 4.67 4.14 0.00 0.00 0.00 0.00 0.00 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 0.00 419 V 8.17 3.52 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 1.04 0.00 0.00 0.92 0.00 0.00 420 E 7.93 3.90 0.00 1.98 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 2.34 2.37 0.00 421 R 7.42 3.64 0.00 1.53 1.03 0.00 2.99 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.39 0.00 422 L 7.19 3.82 0.00 1.60 1.71 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 423 L 7.80 3.97 0.00 1.91 1.66 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 424 Q 7.75 3.88 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.36 0.00 425 A 8.01 4.01 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 0.00 0.00 0.00 0.00 0.00 426 H 8.41 3.88 0.00 3.43 3.55 0.00 5.79 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 0.00 427 R 8.10 3.95 0.00 2.12 1.98 0.00 3.42 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 428 Q 8.24 4.00 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.64 0.00 429 L 8.04 4.06 0.00 1.47 1.52 -0.03 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 430 E 8.08 4.22 0.00 2.21 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 2.21 0.00 431 E 8.47 4.02 0.00 2.29 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 2.35 2.43 0.00 432 R 7.53 4.72 0.00 1.99 2.08 0.00 3.49 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 433 G 8.57 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 0.00 434 Y 8.29 4.90 0.00 3.15 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 0.00 435 V 9.11 4.72 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 0.85 0.00 0.00 0.93 0.00 0.00 436 F 8.98 4.19 0.00 2.43 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 0.00 437 V 8.55 3.96 1.97 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 0.34 0.00 0.00 0.89 0.00 0.00 438 G 5.38 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 439 Y 8.87 5.27 0.00 3.04 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 0.00 440 H 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 0.00 457 A 8.14 2.74 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *464 A 8.23 4.16 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 465 I 8.53 3.46 1.67 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.44 -0.17 0.00 0.00 466 W 7.68 4.87 0.00 3.38 3.28 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 0.00 467 R 7.77 4.30 0.00 2.27 2.15 0.00 3.30 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.73 0.00 468 G 7.98 3.31 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 0.00 469 F 7.60 4.71 0.00 1.85 2.39 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 0.00 470 Y 8.17 4.77 0.00 2.49 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 521 P 0.00 4.13 0.00 2.20 2.26 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 522 E 8.14 4.42 0.00 2.20 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 0.00 2.33 2.32 0.00 523 A 8.77 3.96 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 524 A 8.51 4.27 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 525 G 8.09 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 0.00 0.00 0.00 526 E 7.97 3.95 0.00 2.17 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 2.32 2.37 0.00 527 V 8.54 3.65 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 0.99 0.00 0.00 1.21 0.00 0.00 528 E 8.48 3.89 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.52 0.00 529 R 7.61 3.85 0.00 1.91 2.12 0.00 3.23 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 530 L 7.49 3.85 0.00 1.30 0.84 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 531 I 6.91 3.29 1.94 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.35 0.51 0.00 0.00 532 G 9.61 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 0.00 533 H 7.19 4.66 0.00 3.11 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 P 0.00 4.53 0.00 2.15 2.05 0.00 3.78 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 1.97 1.96 0.00 535 L 8.23 4.04 0.00 1.33 1.40 -0.16 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 536 P 0.00 4.47 0.00 2.03 1.97 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 537 L 8.17 4.18 0.00 1.54 1.51 0.83 0.79 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 0.00 538 R 9.87 4.26 0.00 1.82 1.42 0.00 2.71 0.00 0.00 3.07 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 539 L 8.97 4.55 0.00 1.64 1.68 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 540 D 7.38 5.30 0.00 2.49 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 0.00 541 A 8.03 4.52 -0.20 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 0.00 542 I 8.11 4.88 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.78 0.95 0.00 0.00 543 T 8.58 4.97 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 1.33 0.00 0.00 544 G 8.92 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 0.00 0.00 0.00 0.00 545 P 0.00 5.08 0.00 2.08 2.07 0.00 3.98 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 546 E 9.92 4.22 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.33 0.00 547 E 8.74 4.11 0.00 1.98 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 2.35 2.30 0.00 548 E 8.96 3.95 0.00 2.15 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 2.19 2.27 0.00 549 G 7.75 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 4.05 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 0.00 0.00 0.00 551 R 7.83 4.50 0.00 1.97 1.88 0.00 3.15 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 552 L 8.40 4.95 0.00 1.58 1.64 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 553 E 9.14 4.81 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 554 T 8.45 4.91 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 555 I 8.13 4.27 1.55 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.35 0.45 0.00 0.00 556 L 8.51 4.28 0.00 1.43 1.40 1.02 0.31 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 0.00 557 G 8.29 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 0.00 558 W 8.87 4.59 0.00 3.45 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 0.00 559 P 0.00 4.30 0.00 2.13 2.15 0.00 3.78 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 2.07 2.21 0.00 560 L 7.84 4.09 0.00 1.89 1.73 0.73 1.04 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 0.00 561 A 8.13 3.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 E 8.30 4.76 0.00 2.01 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 2.67 2.74 0.00 563 R 7.91 4.60 0.00 1.97 1.99 0.00 3.19 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 564 T 7.75 4.69 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 565 V 8.46 3.94 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 -0.31 0.00 0.00 566 V 8.31 5.05 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 0.94 0.00 0.00 0.93 0.00 0.00 567 I 8.39 4.62 1.85 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.35 0.85 0.00 0.00 568 P 0.00 4.56 0.00 0.49 1.62 0.00 2.20 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.79 0.00 569 S 8.51 4.96 0.00 4.24 4.03 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 0.00 570 A 9.73 4.76 1.46 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 0.00 0.00 571 I 7.76 4.11 1.94 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.86 0.97 0.00 0.00 572 P 0.00 4.71 0.00 2.26 2.13 0.00 3.98 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 2.05 2.01 0.00 573 T 8.22 4.65 3.95 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 0.98 0.00 0.00 574 D 8.75 4.79 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 P 0.00 4.58 0.00 2.24 2.38 0.00 3.46 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 576 R 8.33 4.38 0.00 1.99 2.01 0.00 3.19 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 577 N 7.79 4.92 0.00 2.68 2.70 0.00 0.00 6.82 8.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 V 7.50 3.87 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 0.78 0.00 0.00 0.93 0.00 0.00 579 G 9.12 4.02 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 0.00 0.00 0.00 580 G 7.59 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 0.00 0.00 0.00 0.00 581 D 8.17 4.61 0.00 2.63 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 L 7.77 3.25 0.00 0.52 1.19 0.57 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 583 D 8.31 4.35 0.00 2.73 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 P 0.00 4.19 0.00 2.18 2.04 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 585 S 8.20 4.20 0.00 3.97 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 0.00 586 S 7.98 4.47 0.00 3.99 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 0.00 587 I 7.35 4.31 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.71 0.93 0.00 0.00 588 P 0.00 4.38 0.00 2.20 1.99 0.00 3.68 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 589 D 9.08 4.40 0.00 2.68 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 0.00 590 K 7.96 4.24 0.00 1.71 1.85 0.00 1.72 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 591 E 8.71 4.14 0.00 2.04 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 2.37 2.32 0.00 592 Q 8.11 3.97 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 593 A 8.34 3.99 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 0.00 594 I 7.39 4.31 1.75 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 0.93 0.36 0.74 0.00 0.00 595 S 7.65 4.48 0.00 4.05 3.89 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 0.00 596 A 8.05 4.25 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 0.00 597 L 7.95 4.74 0.00 1.48 1.32 1.02 1.04 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 0.00 598 P 0.00 4.30 0.00 1.83 1.82 0.00 3.46 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 599 D 8.08 4.27 0.00 2.51 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 0.00 600 Y 7.80 4.72 0.00 3.05 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 0.00 601 A 8.54 4.37 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 602 S 8.99 5.01 0.00 4.04 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 0.00 603 Q 7.71 4.75 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.04 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 604 P 0.00 4.36 0.00 1.97 2.16 0.00 3.96 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 605 G 8.05 3.89 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 0.00 0.00 0.00 606 K 8.64 4.76 0.00 1.80 1.75 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.44 7.81 607 P 0.00 4.32 0.00 2.23 2.07 0.00 3.86 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 2.00 1.97 0.00 608 P 0.00 4.38 0.00 2.20 2.14 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 609 R 8.33 4.15 0.00 1.83 1.88 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 * Residues marked with a * may have inaccurate shift predictions.