NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 476 N 4.7783 8.4093 118.2196 52.1504 39.0543 173.5522 477 S 4.5698 7.9337 112.0328 56.4253 65.8464 171.7162 478 I 4.4767 8.3169 123.1596 59.4672 41.0244 176.5681 479 N 4.5689 8.6255 123.9081 52.4580 37.8417 174.6460 480 L 4.0353 8.4524 128.4153 57.7552 42.3770 178.8246 481 S 4.4217 7.9359 111.6646 59.6125 63.1509 174.4383 482 I 4.6697 8.0670 113.1423 59.4972 38.0984 177.0543 483 A 3.9189 7.9576 121.3530 53.8039 17.7586 179.5803 *485 D 4.5237 8.1240 120.8435 55.2225 42.8128 177.5919 486 L 4.0960 7.6293 117.2473 55.3958 42.3828 176.8699 487 Y 4.7633 7.4789 113.7112 57.5648 39.8182 175.9746 488 S 3.9927 8.2099 113.3830 58.0205 62.6259 172.2447 489 P 4.4014 0.0000 0.0000 62.0672 31.6699 174.6542 490 P 4.5127 0.0000 0.0000 64.2736 32.1166 175.3118 491 F 4.8631 6.6347 111.3623 56.4093 40.3467 173.0506 492 V 4.3045 8.6642 113.1778 59.7793 35.3345 174.2545 493 Y 5.0452 7.9931 117.1980 56.5558 40.1621 177.5907 494 L 3.9019 9.3043 124.3918 57.8750 42.0225 179.1010 495 S 4.1926 7.9776 112.5210 61.2143 63.1507 175.9232 496 V 3.6675 7.8337 119.7481 65.6487 31.7655 177.2977 497 L 3.7932 7.9086 117.5758 56.0860 41.3426 178.0613 *499 A 4.3098 7.9898 121.9493 51.6826 20.2032 179.1271 500 S 4.1074 7.8443 108.1434 58.5421 64.0100 174.1379 501 K 3.8198 7.4121 120.6792 56.3561 29.5872 173.4060 502 P 4.3462 0.0000 0.0000 63.5010 31.9233 177.1526 503 K 4.3842 8.6204 119.5451 56.6877 33.1063 175.6188 504 E 4.6974 7.6907 114.9288 53.6667 32.8140 174.8239 505 V 3.8173 8.3677 118.6060 64.2997 31.9539 175.1344 506 T 4.8228 9.2293 124.0290 62.0883 72.1260 172.8362 507 T 5.2032 8.7556 122.2088 62.1056 70.6176 174.0533 508 V 4.7123 8.6408 118.2452 59.6149 37.1006 173.9304 509 K 4.8579 8.5741 122.2344 54.9096 34.7853 175.1304 510 V 4.8405 8.2228 118.7899 59.4468 36.4756 174.1023 511 K 4.6375 7.8256 123.4586 55.0373 33.4940 175.0437 512 A 4.9467 8.7413 128.4337 50.6679 23.7020 173.8982 513 F 5.3113 8.2235 112.4563 54.1292 42.1574 173.8575 514 I 4.4321 8.4282 120.1214 60.5769 37.2707 176.3797 515 V 3.9849 8.9844 128.6578 65.9989 32.0339 175.8474 516 T 4.3726 7.4147 111.5316 61.2490 70.5051 172.0343 517 L 4.7145 8.6443 125.8303 54.4363 42.6244 177.0222 518 T 4.4442 8.3803 111.4102 61.0349 69.2396 173.5262 519 G 4.0236 7.3442 109.3624 45.2612 0.0000 172.8842 520 N 4.5620 8.5007 116.7814 52.4274 39.1879 175.0707 521 L 4.3091 8.3484 122.6154 54.9082 42.7718 176.2453 522 S 4.9228 9.3111 121.6345 56.9926 64.3893 174.1076 523 S 5.0305 8.6234 117.0635 56.6102 63.8460 173.9269 524 S 4.2253 7.8330 116.7159 60.1120 63.0164 175.3721 525 G 3.7113 8.8472 110.8870 45.2981 0.0000 173.9722 526 G 3.7921 8.1903 106.4107 45.4089 0.0000 173.3572 527 I 4.5586 6.9936 111.1337 58.4935 41.6120 174.3745 528 W 5.6510 8.8129 122.6305 56.2843 30.8122 175.5133 529 S 5.2968 8.7514 115.2548 57.9502 65.6540 173.1939 530 I 4.8535 8.7790 121.1690 60.4095 41.8614 173.0290 531 T 5.3032 8.5856 116.9055 60.3436 71.6326 172.8794 532 A 5.1968 8.9631 123.8488 50.7316 23.8738 174.5638 533 K 4.8702 9.3608 120.8090 54.9344 34.4923 175.8213 534 V 4.7384 8.6375 120.1745 59.8721 35.8954 174.2587 535 S 5.0198 8.2958 114.4879 57.3587 65.8250 174.0138 536 D 4.9769 8.2841 123.6429 52.2069 39.5253 177.0674 537 G 4.0033 8.1835 109.3212 45.6168 0.0000 174.5685 538 T 4.2285 7.5223 107.1429 61.2931 70.3155 173.4229 539 A 4.0779 7.0315 123.4123 52.0495 21.6463 173.7758 540 Y 5.0393 8.2724 116.6700 56.5394 40.5336 175.7726 541 L 4.7071 8.7130 123.8214 53.7849 46.3601 174.4548 542 D 5.1223 8.8582 126.0543 54.1245 42.3865 175.7923 543 V 5.0213 8.9994 115.8790 59.6640 36.3610 173.9843 544 D 5.4247 8.6787 122.1197 52.7221 43.1726 175.8215 545 F 4.6429 9.3617 122.8131 55.9450 41.0008 175.0421 546 V 4.6063 8.0734 123.1771 63.2471 34.2192 174.6701 547 D 4.5622 10.2723 130.3719 55.6259 41.0751 175.0502 548 E 4.0726 9.7843 116.9641 59.9002 30.0208 177.9116 549 I 3.8158 7.8934 118.8597 64.5131 37.1764 178.4093 550 L 4.0034 8.0297 119.3255 58.0300 41.4811 179.4453 551 T 4.1796 8.3352 115.8411 66.6695 68.1384 176.7030 552 S 4.1058 8.0376 114.3229 61.3225 62.5437 175.9320 553 L 4.1064 7.7036 120.4883 57.9555 41.5502 179.3167 554 I 4.0183 7.8949 120.0565 62.4771 36.8571 178.0504 555 G 4.1422 9.2212 106.4792 45.0533 0.0000 173.0576 556 F 5.0134 7.8543 117.0714 55.6431 42.7972 174.7497 557 S 4.8502 9.0802 120.0058 57.1394 64.5005 174.7904 558 V 3.0191 7.8847 119.7990 65.2289 31.4342 175.3178 559 P 4.3369 0.0000 0.0000 65.8147 31.3544 178.5637 560 E 4.2544 8.1572 117.7481 56.3859 28.7128 178.9493 *562 K 4.1794 8.1713 120.5700 56.6334 34.1534 178.4732 563 Q 4.1502 8.2296 118.0875 58.6778 28.5345 178.5630 564 S 4.2892 8.4455 115.3369 61.2321 62.5918 176.7169 565 K 3.7511 7.5105 120.6494 58.9247 31.8101 177.8733 566 K 4.1435 7.5323 115.3016 57.3991 32.7889 176.7977 567 D 4.5931 8.0450 119.2237 51.4869 43.8075 173.3888 568 P 4.3076 0.0000 0.0000 66.1367 31.5591 178.4810 569 L 4.0800 8.0562 117.1932 57.6764 41.5093 179.3582 570 Q 4.1404 8.1260 119.3098 59.2629 29.0828 177.2859 571 Y 4.1294 8.5117 121.0490 60.5678 38.8118 177.6317 572 Q 3.8886 8.3430 120.7589 59.1766 29.1281 178.5582 573 K 4.2161 7.9235 119.0137 59.2676 32.0430 179.1492 574 F 3.0569 7.6478 120.8960 60.9541 39.2913 177.1922 575 L 3.3481 7.4372 118.5629 57.6002 41.2706 179.4743 576 E 3.9677 8.0661 118.7388 59.1828 29.3548 179.5952 577 G 3.7790 7.8573 107.2624 46.8057 0.0000 175.6478 578 L 3.5193 7.4464 123.0049 58.0354 41.9571 179.1869 579 Q 3.8753 7.6752 117.8612 58.5907 28.4899 178.5759 580 K 3.8200 7.8626 120.7888 59.5993 32.2241 178.4103 581 C 3.9480 8.0163 118.9748 62.2894 31.3043 175.2384 582 Q 3.8181 7.8466 121.1012 59.4349 28.5895 178.7206 583 R 3.9387 8.1374 119.1195 59.1903 29.9326 178.8027 584 D 4.3015 8.3695 119.2414 57.3335 40.5627 178.7841 585 L 3.9897 7.6558 118.6010 57.4520 41.6257 179.2798 586 I 3.9147 7.2507 119.2169 64.0980 37.2028 177.2996 587 D 4.6844 8.0351 116.6616 53.3226 40.9101 176.4303 588 L 3.9856 7.2685 123.8303 55.8569 43.1465 175.8774 589 C 5.1151 8.6643 125.0018 59.2670 33.1199 171.8209 590 C 4.6580 8.5673 119.9286 57.2496 33.2951 172.8345 591 L 5.0536 8.3438 119.3352 53.6916 44.0436 175.9124 *593 T 4.6189 8.2095 115.0960 63.8269 70.0970 173.3851 594 I 4.6846 8.6212 120.2986 58.9987 41.0194 174.6903 595 S 4.5764 8.6281 120.2910 57.0522 63.5828 172.0180 596 F 5.1137 9.4282 131.4352 57.0115 41.2399 173.9791 597 N 4.7339 8.1127 125.6857 50.9599 39.4801 173.1815 598 P 3.7900 0.0000 0.0000 65.6300 31.5463 178.6274 599 S 4.2399 7.6338 113.0483 59.7298 62.7197 174.4142 600 L 4.5336 6.9844 117.5079 53.3248 43.2621 176.8946 601 S 4.0254 9.0398 112.0787 58.1593 61.3194 168.6757 602 K 4.7263 7.2254 116.5481 55.5284 35.4497 173.2708 603 A 5.2600 8.4099 123.4262 50.2522 22.4160 176.4621 *605 V 3.8639 8.4302 116.1295 64.3887 31.7110 175.5182 606 L 4.5205 9.3262 128.3717 56.6748 42.7527 176.5092 607 A 4.6437 7.5306 116.6465 51.1036 21.9850 175.6287 608 L 5.1092 8.4862 118.3116 53.2086 45.4941 176.3527 609 Q 4.5413 8.9218 122.2726 54.5335 32.3875 173.9397 610 D 4.7616 8.6018 124.9526 53.9507 41.6643 176.7193 611 V 4.1260 8.2383 116.5831 61.5544 34.1829 173.3349 612 N 4.9408 9.1218 117.8201 53.5183 37.0445 175.6273 *614 E 4.1889 9.4897 117.4508 56.2549 32.1603 176.2348 615 H 4.2794 8.3179 115.8397 58.6755 28.6692 177.4929 616 L 3.9903 7.9214 122.0761 58.3280 41.9433 178.9464 617 E 3.9862 8.1207 117.9531 59.5030 29.4910 178.9382 618 N 4.3232 8.2680 116.5723 56.1073 38.3328 177.2804 619 L 3.8339 7.7884 120.9372 57.9979 42.4381 178.8601 620 K 4.1067 8.0529 118.5378 59.2102 31.6091 179.1998 621 K 3.9272 8.1575 120.1811 59.3792 31.9795 178.3071 622 R 4.3805 7.6206 112.5141 56.9644 29.6771 176.5374 623 L 4.7802 7.4346 115.7368 54.3273 43.7834 176.5152 624 N 4.9121 8.5019 115.0576 52.5942 40.7559 174.7723 625 K 4.1832 7.9030 121.2393 56.8168 32.8247 175.7712 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 476 N 8.41 4.78 0.00 2.83 2.99 0.00 0.00 5.82 6.76 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 0.00 477 S 7.93 4.57 0.00 4.03 3.83 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 0.00 478 I 8.32 4.48 1.90 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 1.35 0.70 0.99 0.00 0.00 479 N 8.63 4.57 0.00 2.74 2.74 0.00 0.00 6.83 6.66 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 0.00 480 L 8.45 4.04 0.00 1.78 1.68 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 481 S 7.94 4.42 0.00 3.98 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 0.00 482 I 8.07 4.67 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.23 0.90 0.00 0.00 483 A 7.96 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 *485 D 8.12 4.52 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 486 L 7.63 4.10 0.00 0.69 0.35 0.76 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 487 Y 7.48 4.76 0.00 3.07 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 0.00 488 S 8.21 3.99 0.00 3.80 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 0.00 489 P 0.00 4.40 0.00 2.04 1.95 0.00 3.69 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 2.07 0.00 490 P 0.00 4.51 0.00 2.17 2.16 0.00 3.37 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.79 0.00 491 F 6.63 4.86 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 492 V 8.66 4.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.98 0.00 0.00 493 Y 7.99 5.05 0.00 2.90 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 0.00 494 L 9.30 3.90 0.00 1.55 1.61 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 495 S 7.98 4.19 0.00 3.95 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 0.00 496 V 7.83 3.67 2.28 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 0.77 0.00 0.00 1.03 0.00 0.00 497 L 7.91 3.79 0.00 1.65 1.65 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 *499 A 7.99 4.31 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 0.00 0.00 0.00 0.00 0.00 500 S 7.84 4.11 0.00 4.02 3.96 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 0.00 501 K 7.41 3.82 0.00 1.95 1.88 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.51 7.81 502 P 0.00 4.35 0.00 2.32 2.18 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 503 K 8.62 4.38 0.00 1.78 1.90 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.43 7.81 504 E 7.69 4.70 0.00 2.01 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 2.19 2.31 0.00 505 V 8.37 3.82 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 0.85 0.00 0.00 0.88 0.00 0.00 506 T 9.23 4.82 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 1.30 0.00 0.00 507 T 8.76 5.20 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 1.29 0.00 0.00 508 V 8.64 4.71 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 0.68 0.00 0.00 0.90 0.00 0.00 509 K 8.57 4.86 0.00 1.84 1.67 0.00 1.95 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.45 7.81 510 V 8.22 4.84 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 0.76 0.00 0.00 0.86 0.00 0.00 511 K 7.83 4.64 0.00 0.79 0.76 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.25 7.81 512 A 8.74 4.95 1.14 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 0.00 0.00 513 F 8.22 5.31 0.00 3.30 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 0.00 514 I 8.43 4.43 2.10 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 1.36 0.68 0.99 0.00 0.00 515 V 8.98 3.98 2.20 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 0.76 0.00 0.00 0.89 0.00 0.00 516 T 7.41 4.37 4.25 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 1.19 0.00 0.00 517 L 8.64 4.71 0.00 1.57 1.58 0.88 0.78 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 0.00 518 T 8.38 4.44 4.25 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 1.22 0.00 0.00 519 G 7.34 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 0.00 520 N 8.50 4.56 0.00 2.77 2.81 0.00 0.00 6.83 7.85 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 0.00 521 L 8.35 4.31 0.00 1.56 1.62 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 522 S 9.31 4.92 0.00 3.91 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 0.00 523 S 8.62 5.03 0.00 3.61 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 0.00 524 S 7.83 4.23 0.00 4.07 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 0.00 525 G 8.85 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.19 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 0.00 527 I 6.99 4.56 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.78 0.88 0.00 0.00 528 W 8.81 5.65 0.00 3.39 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 0.00 529 S 8.75 5.30 0.00 3.96 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 0.00 530 I 8.78 4.85 1.93 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 1.34 1.56 0.97 0.00 0.00 531 T 8.59 5.30 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 1.38 0.00 0.00 532 A 8.96 5.20 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 0.00 533 K 9.36 4.87 0.00 1.76 1.65 0.00 1.40 0.00 0.00 1.31 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.39 7.81 534 V 8.64 4.74 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 0.69 0.00 0.00 0.87 0.00 0.00 535 S 8.30 5.02 0.00 3.68 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 0.00 536 D 8.28 4.98 0.00 2.86 2.63 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 0.00 537 G 8.18 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 T 7.52 4.23 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 0.97 0.00 0.00 539 A 7.03 4.08 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 0.00 540 Y 8.27 5.04 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 0.00 541 L 8.71 4.71 0.00 1.68 1.42 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 542 D 8.86 5.12 0.00 2.68 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 0.00 543 V 9.00 5.02 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 0.79 0.00 0.00 0.78 0.00 0.00 544 D 8.68 5.42 0.00 2.50 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 0.00 545 F 9.36 4.64 0.00 3.10 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 0.00 546 V 8.07 4.61 2.13 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 0.84 0.00 0.00 0.98 0.00 0.00 547 D 10.27 4.56 0.00 2.99 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 0.00 548 E 9.78 4.07 0.00 2.16 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 2.45 2.55 0.00 549 I 7.89 3.82 2.10 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 1.74 0.86 1.07 0.00 0.00 550 L 8.03 4.00 0.00 2.03 1.67 1.14 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 551 T 8.34 4.18 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 1.36 0.00 0.00 552 S 8.04 4.11 0.00 3.99 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 0.00 553 L 7.70 4.11 0.00 1.57 1.61 0.76 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 554 I 7.89 4.02 1.86 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.18 0.91 0.00 0.00 555 G 9.22 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 0.00 0.00 0.00 0.00 556 F 7.85 5.01 0.00 3.38 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 0.00 557 S 9.08 4.85 0.00 4.00 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 0.00 558 V 7.88 3.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 -0.41 0.00 0.00 559 P 0.00 4.34 0.00 2.23 2.24 0.00 3.54 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 560 E 8.16 4.25 0.00 2.54 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 2.38 2.33 0.00 *562 K 8.17 4.18 0.00 1.93 1.84 0.00 1.57 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.56 7.81 563 Q 8.23 4.15 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.78 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 564 S 8.45 4.29 0.00 4.34 4.47 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 0.00 565 K 7.51 3.75 0.00 1.89 1.76 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.12 0.63 7.81 566 K 7.53 4.14 0.00 1.83 1.90 0.00 1.55 0.00 0.00 1.62 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.69 1.38 7.81 567 D 8.04 4.59 0.00 2.76 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.23 2.17 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 569 L 8.06 4.08 0.00 1.71 1.76 0.95 1.25 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 0.00 570 Q 8.13 4.14 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.55 2.71 0.00 571 Y 8.51 4.13 0.00 3.28 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 Q 8.34 3.89 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.39 0.00 573 K 7.92 4.22 0.00 2.39 2.20 0.00 2.04 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.57 7.81 574 F 7.65 3.06 0.00 1.94 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 0.00 575 L 7.44 3.35 0.00 1.61 1.45 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 576 E 8.07 3.97 0.00 2.16 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 2.27 2.38 0.00 577 G 7.86 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 0.00 578 L 7.45 3.52 0.00 0.83 1.34 0.60 0.44 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 0.00 579 Q 7.68 3.88 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 580 K 7.86 3.82 0.00 1.82 1.95 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.49 1.40 7.81 581 C 8.02 3.95 0.00 2.91 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 0.00 582 Q 7.85 3.82 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 583 R 8.14 3.94 0.00 1.95 1.92 0.00 3.14 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 584 D 8.37 4.30 0.00 2.72 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 0.00 585 L 7.66 3.99 0.00 1.52 1.59 0.64 0.45 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 0.00 586 I 7.25 3.91 2.01 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 1.51 0.57 0.90 0.00 0.00 587 D 8.04 4.68 0.00 2.68 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 0.00 588 L 7.27 3.99 0.00 1.90 1.72 1.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 589 C 8.66 5.12 0.00 3.02 2.80 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 0.00 590 C 8.57 4.66 0.00 3.15 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 0.00 591 L 8.34 5.05 0.00 1.62 1.66 0.67 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 *593 T 8.21 4.62 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 1.24 0.00 0.00 594 I 8.62 4.68 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 1.24 0.77 0.85 0.00 0.00 595 S 8.63 4.58 0.00 3.94 3.80 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 0.00 596 F 9.43 5.11 0.00 3.08 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 0.00 597 N 8.11 4.73 0.00 2.64 2.44 0.00 0.00 6.58 7.03 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 0.00 598 P 0.00 3.79 0.00 2.30 2.38 0.00 3.52 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 599 S 7.63 4.24 0.00 3.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.98 4.53 0.00 1.60 1.59 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 601 S 9.04 4.03 0.00 4.06 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 0.00 602 K 7.23 4.73 0.00 2.16 1.93 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 603 A 8.41 5.26 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 *605 V 8.43 3.86 1.43 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 0.74 0.00 0.00 0.17 0.00 0.00 606 L 9.33 4.52 0.00 1.58 1.71 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 607 A 7.53 4.64 1.20 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 0.00 608 L 8.49 5.11 0.00 1.55 1.60 1.05 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 609 Q 8.92 4.54 0.00 2.07 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.99 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 610 D 8.60 4.76 0.00 2.74 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 0.00 611 V 8.24 4.13 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 0.76 0.00 0.00 0.98 0.00 0.00 612 N 9.12 4.94 0.00 2.87 2.47 0.00 0.00 5.81 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 *614 E 9.49 4.19 0.00 1.98 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 2.23 2.31 0.00 615 H 8.32 4.28 0.00 3.42 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 L 7.92 3.99 0.00 1.82 1.68 0.95 1.02 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 0.00 617 E 8.12 3.99 0.00 2.16 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 0.00 2.39 2.34 0.00 618 N 8.27 4.32 0.00 2.85 2.80 0.00 0.00 6.66 6.02 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 0.00 619 L 7.79 3.83 0.00 1.64 1.83 0.71 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 620 K 8.05 4.11 0.00 2.01 1.84 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.55 7.81 621 K 8.16 3.93 0.00 1.90 1.96 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 622 R 7.62 4.38 0.00 2.00 1.98 0.00 2.98 0.00 0.00 3.28 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 623 L 7.43 4.78 0.00 1.70 1.68 0.94 0.92 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 0.00 624 N 8.50 4.91 0.00 2.67 2.83 0.00 0.00 6.71 7.34 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 0.00 625 K 7.90 4.18 0.00 1.80 1.72 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.