NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 503 A 4.2695 8.2493 123.5800 51.9488 20.1674 176.4833 504 I 4.2137 7.6584 112.3581 60.0936 39.7567 169.6005 505 V 4.3079 7.9999 120.0770 60.9999 34.9222 175.3156 506 N 4.4066 8.8700 126.0530 53.8204 39.2849 174.0155 507 A 4.6693 8.3101 125.1252 51.4526 20.6845 176.1518 508 Q 4.2482 8.2490 114.9069 54.9102 29.4181 174.8978 509 P 4.4324 0.0000 0.0000 65.4614 31.5567 177.2522 510 K 4.6252 7.5750 114.0269 54.9398 36.0347 175.6817 511 C 4.8973 8.6189 121.0086 55.0756 40.5910 174.1954 512 N 4.7201 8.4417 125.9437 50.7807 36.9008 173.3790 513 P 4.3958 0.0000 0.0000 65.0911 32.5308 176.0383 514 N 4.6888 7.8688 118.7099 52.8346 39.6618 175.5368 515 L 4.5318 8.6311 126.8215 53.6324 42.1316 173.0343 516 H 4.6967 8.6144 119.3141 55.4961 29.2950 173.8642 517 Y 5.0491 8.3004 122.3047 54.7044 41.2497 174.6910 518 W 5.6983 7.9494 116.3860 54.2787 31.2811 173.9727 519 T 4.8632 8.7834 116.1157 61.7572 70.9397 171.3503 520 T 5.1554 8.6786 116.1760 60.4289 70.6152 172.6793 521 Q 4.2512 9.0430 121.5922 55.1896 28.7754 173.2235 *525 A 4.2962 9.0883 114.5408 52.9543 20.2751 177.5481 526 A 4.6752 8.0350 120.0592 53.0961 19.5243 177.6599 527 I 4.6040 7.6813 112.4235 61.7054 42.0291 178.3864 528 G 3.8815 8.6489 113.0192 47.0450 0.0000 174.4826 529 L 4.3455 8.4880 122.5977 53.6301 43.0853 177.5273 530 A 4.0581 7.9840 124.8642 54.8865 18.3465 179.8251 531 W 4.3909 7.7885 111.6797 58.7859 29.1775 176.2716 532 I 3.5949 6.4611 119.6739 60.6769 35.6697 174.7434 533 P 4.1358 0.0000 0.0000 65.8330 31.2395 177.0715 534 Y 3.8960 7.9042 117.2052 60.8020 38.6758 175.9897 535 F 4.3401 7.8795 117.9158 56.2755 39.8242 175.9264 536 G 3.8796 7.8352 112.0645 45.1638 0.0000 170.1296 537 P 4.4601 0.0000 0.0000 62.3280 32.7172 174.8586 538 A 4.7761 7.9214 120.8620 50.2248 21.5546 176.3741 539 A 3.9963 8.6762 117.8219 55.1754 18.2096 178.8587 540 E 4.9914 8.1287 111.4956 56.2306 29.7429 176.5359 541 G 4.1268 7.9940 106.6160 45.7992 0.0000 174.6951 542 I 3.7311 7.3481 112.9331 62.3123 38.6485 175.4336 543 Y 5.0270 7.1253 120.5109 57.5675 39.8538 174.8286 544 T 4.7216 9.2161 115.6511 60.6707 71.0570 174.0170 545 E 5.0181 8.2947 127.3584 55.6873 31.8362 175.8232 546 G 3.8610 7.0674 111.8563 45.1352 0.0000 171.0381 547 L 4.9081 7.8123 122.6648 53.3337 44.7679 175.2427 548 M 4.6674 8.7682 126.0210 54.1722 34.0219 175.5888 549 H 4.8550 8.6747 120.3749 54.4447 30.7012 175.6327 550 N 4.6653 7.6855 120.8339 53.0616 36.3784 173.6168 551 Q 4.0794 7.9815 121.7257 56.1329 30.4274 174.6243 552 D 4.4277 8.5706 127.5139 55.6281 38.8390 175.0568 553 G 3.9407 8.4863 115.0254 46.7917 0.0000 174.6144 554 L 3.8911 7.8210 123.6513 58.2391 42.0583 179.0410 555 I 3.9820 8.0979 119.0307 63.6427 36.8420 176.8754 556 C 4.7093 8.3357 115.2781 57.8248 37.3705 175.5461 557 G 3.5948 7.9940 108.6112 47.2632 0.0000 175.7411 558 L 3.8989 7.7609 122.1254 57.5566 41.7344 179.3361 559 R 3.8385 7.7147 117.6744 59.7880 29.9338 178.0875 560 Q 3.9136 7.5162 119.1808 59.0401 29.0706 177.7147 561 L 3.8815 8.3108 121.4764 58.4650 41.6025 178.8108 562 A 3.9686 8.3968 120.7382 55.2882 17.9598 179.0885 563 N 4.3360 7.7334 114.3704 56.5763 39.1108 176.6198 564 E 4.2088 8.1039 119.3290 58.6190 29.9526 178.8216 565 T 4.0536 8.2869 110.4436 65.7966 68.9799 176.8502 566 T 3.6421 7.5762 116.7274 65.9150 68.3962 175.3084 567 Q 3.9043 8.1640 120.5316 59.5168 29.0964 179.3640 568 A 3.9400 7.9435 121.1861 55.2476 18.5163 179.1081 569 L 3.9397 8.0307 118.3408 58.4889 41.9810 178.9309 570 Q 3.9601 8.5530 119.6729 59.2993 28.8597 178.2445 571 L 4.0343 7.7194 118.6687 57.6935 41.8841 178.7482 572 F 4.2662 8.7074 121.0326 61.3997 39.3678 176.7952 573 L 3.6270 8.1476 118.2308 58.0042 41.3510 179.4309 574 R 3.8564 7.4792 116.1797 59.5982 29.9367 177.9923 575 A 3.9761 7.6370 118.6418 54.6839 18.8858 178.0224 576 T 3.6509 5.8322 111.6804 64.4541 69.1084 173.8380 577 T 4.2551 8.1348 117.1384 62.2720 69.0972 174.1648 578 E 4.0703 8.2935 119.0899 56.4189 28.8084 176.5060 579 L 3.2414 7.4812 121.4978 57.3348 42.5852 177.2871 580 R 4.0937 7.6848 124.1172 55.4587 30.6507 176.4008 581 T 4.3941 8.0638 120.7379 62.3626 69.4474 174.4203 582 F 4.7336 8.7484 124.9956 58.6387 41.4078 177.8110 583 S 4.2068 8.5941 114.7935 61.7206 62.8228 176.6576 584 I 3.4976 7.6308 122.1838 64.5074 36.7298 177.7974 585 L 3.9628 7.8870 119.1389 57.9144 41.7224 179.2108 586 N 4.4874 8.1398 115.6373 55.6496 38.5323 177.1829 587 R 3.8812 8.1365 121.0216 59.4061 30.1873 178.3768 588 K 3.8723 8.4253 118.2613 59.6535 31.8377 179.1286 589 A 4.0524 8.0589 120.8036 55.1813 18.2844 179.8619 590 I 3.7334 7.6634 117.8855 64.4985 37.1977 177.9848 591 D 4.4276 8.1596 119.8683 57.7841 40.7540 179.0457 592 F 4.2200 8.5156 120.7816 61.3260 39.0876 177.1839 593 L 3.7394 7.5375 117.7317 57.4530 41.5984 179.0192 594 L 4.0795 7.9713 118.9469 57.9998 41.3417 179.0523 595 Q 3.9899 7.9692 119.0288 59.3698 29.3638 180.3933 596 R 4.5791 7.3988 122.8292 57.5536 29.4481 180.2839 *597 W 4.8456 7.0111 115.8965 54.2385 30.7331 177.0773 598 G 3.5139 8.3766 114.5753 46.4091 0.0000 173.5894 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 503 A 8.25 4.27 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 0.00 504 I 7.66 4.21 1.86 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 1.28 0.81 0.90 0.00 0.00 505 V 8.00 4.31 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 0.79 0.00 0.00 0.93 0.00 0.00 506 N 8.87 4.41 0.00 2.94 2.70 0.00 0.00 6.93 7.96 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 0.00 507 A 8.31 4.67 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 0.00 508 Q 8.25 4.25 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.88 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 509 P 0.00 4.43 0.00 2.04 2.12 0.00 3.67 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 2.12 0.00 510 K 7.58 4.63 0.00 1.69 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.43 7.81 511 C 8.62 4.90 0.00 2.88 2.93 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 0.00 512 N 8.44 4.72 0.00 2.80 2.77 0.00 0.00 6.85 8.03 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 0.00 513 P 0.00 4.40 0.00 2.13 2.34 0.00 3.70 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 514 N 7.87 4.69 0.00 2.62 2.72 0.00 0.00 6.77 8.57 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 0.00 515 L 8.63 4.53 0.00 1.78 1.73 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 516 H 8.61 4.70 0.00 3.11 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 517 Y 8.30 5.05 0.00 2.94 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 0.00 518 W 7.95 5.70 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 0.00 519 T 8.78 4.86 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 1.41 0.00 0.00 520 T 8.68 5.16 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 521 Q 9.04 4.25 0.00 2.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.36 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 *525 A 9.09 4.30 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 0.00 526 A 8.04 4.68 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 0.00 527 I 7.68 4.60 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.54 0.95 0.00 0.00 528 G 8.65 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 0.00 529 L 8.49 4.35 0.00 1.22 1.09 -0.10 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 530 A 7.98 4.06 1.52 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 0.00 0.00 531 W 7.79 4.39 0.00 3.62 3.27 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 0.00 532 I 6.46 3.59 1.82 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.84 0.00 0.00 533 P 0.00 4.14 0.00 2.06 2.16 0.00 3.75 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 2.10 2.19 0.00 534 Y 7.90 3.90 0.00 2.63 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 0.00 535 F 7.88 4.34 0.00 3.20 2.88 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 0.00 536 G 7.84 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 0.00 537 P 0.00 4.46 0.00 2.15 2.06 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 538 A 7.92 4.78 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 0.00 539 A 8.68 4.00 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 0.00 540 E 8.13 4.99 0.00 2.12 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 2.19 2.22 0.00 541 G 7.99 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 0.00 542 I 7.35 3.73 1.66 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 0.40 -0.28 0.85 0.00 0.00 543 Y 7.13 5.03 0.00 2.78 3.14 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 0.00 544 T 9.22 4.72 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 1.42 0.00 0.00 545 E 8.29 5.02 0.00 1.84 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 2.31 2.23 0.00 546 G 7.07 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 0.00 0.00 0.00 547 L 7.81 4.91 0.00 1.46 1.43 0.65 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 548 M 8.77 4.67 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 549 H 8.67 4.86 0.00 3.06 3.21 0.00 5.70 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 0.00 550 N 7.69 4.67 0.00 2.96 2.77 0.00 0.00 7.11 6.96 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 0.00 551 Q 7.98 4.08 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 5.60 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 552 D 8.57 4.43 0.00 2.85 2.55 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 0.00 553 G 8.49 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 0.00 554 L 7.82 3.89 0.00 1.84 1.70 0.89 1.02 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 0.00 555 I 8.10 3.98 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.83 0.94 0.00 0.00 556 C 8.34 4.71 0.00 2.97 3.11 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 0.00 0.00 0.00 557 G 7.99 3.59 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 0.00 558 L 7.76 3.90 0.00 1.84 1.71 0.86 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 559 R 7.71 3.84 0.00 2.08 1.95 0.00 3.15 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 560 Q 7.52 3.91 0.00 2.38 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 561 L 8.31 3.88 0.00 1.72 1.87 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 562 A 8.40 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 563 N 7.73 4.34 0.00 2.83 3.04 0.00 0.00 7.25 8.17 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 0.00 564 E 8.10 4.21 0.00 2.11 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 2.33 2.48 0.00 565 T 8.29 4.05 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 1.20 0.00 0.00 566 T 7.58 3.64 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 1.22 0.00 0.00 567 Q 8.16 3.90 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 568 A 7.94 3.94 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 0.00 569 L 8.03 3.94 0.00 1.76 1.88 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 570 Q 8.55 3.96 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 571 L 7.72 4.03 0.00 1.90 1.75 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 572 F 8.71 4.27 0.00 3.06 3.27 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 0.00 573 L 8.15 3.63 0.00 1.91 1.69 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 574 R 7.48 3.86 0.00 1.77 2.18 0.00 3.25 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 1.61 1.65 0.00 575 A 7.64 3.98 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 0.00 576 T 5.83 3.65 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 577 T 8.13 4.26 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 1.19 0.00 0.00 578 E 8.29 4.07 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 579 L 7.48 3.24 0.00 1.65 1.63 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 580 R 7.68 4.09 0.00 1.87 1.53 0.00 3.37 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 581 T 8.06 4.39 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 1.44 0.00 0.00 582 F 8.75 4.73 0.00 3.17 3.07 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 0.00 0.00 0.00 583 S 8.59 4.21 0.00 4.08 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 0.00 584 I 7.63 3.50 1.82 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 1.38 0.70 0.71 0.00 0.00 585 L 7.89 3.96 0.00 1.69 1.70 0.90 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 586 N 8.14 4.49 0.00 2.96 2.89 0.00 0.00 6.78 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 587 R 8.14 3.88 0.00 2.00 1.96 0.00 3.28 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 588 K 8.43 3.87 0.00 1.93 1.84 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.55 7.81 589 A 8.06 4.05 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 0.00 590 I 7.66 3.73 2.07 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 1.55 1.10 0.93 0.00 0.00 591 D 8.16 4.43 0.00 2.83 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 0.00 592 F 8.52 4.22 0.00 3.07 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 0.00 593 L 7.54 3.74 0.00 1.79 1.66 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 594 L 7.97 4.08 0.00 1.82 1.69 0.92 0.62 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 0.00 595 Q 7.97 3.99 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 7.51 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 596 R 7.40 4.58 0.00 1.90 1.78 0.00 3.31 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 *597 W 7.01 4.85 0.00 2.42 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 0.00 0.00 0.00 598 G 8.38 3.51 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.