NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 440 V 4.1404 7.9127 120.4763 61.6466 33.7762 173.3262 441 K 3.6906 8.0291 121.7692 53.1624 33.4938 173.6780 442 K 4.1713 9.6761 128.8827 55.4893 35.5740 175.5173 443 L 3.8300 9.4096 127.5961 56.0546 39.1616 175.6847 444 D 4.6964 8.1275 116.3674 54.5254 40.0401 175.0992 445 K 4.6769 7.7175 118.2297 54.9458 33.6672 175.2294 446 W 5.0234 8.7626 120.8034 55.9481 30.2534 176.1152 447 V 4.5511 9.0077 123.3864 60.3647 34.5468 172.8351 448 P 4.1791 0.0000 0.0000 63.1966 31.0886 176.0970 449 H 4.1515 9.0798 123.4197 58.7463 30.0442 175.1080 450 E 4.5807 7.8282 119.0925 54.1143 32.0568 174.3880 451 L 4.2187 8.4816 127.1569 54.6147 42.4731 177.8163 452 T 4.1100 8.9254 114.5455 61.4601 70.6732 175.2004 453 E 3.9422 8.6407 121.7740 59.5657 29.6351 178.7264 454 N 4.3750 8.0824 116.1671 56.1978 38.7725 177.2924 455 Q 4.1054 8.2631 119.6388 58.7538 28.6791 178.8910 456 K 4.2589 8.0659 121.0570 58.9577 32.0230 179.1300 457 N 4.3247 8.4860 117.1542 56.2327 38.4174 177.4907 458 R 3.9134 8.1284 120.1124 59.4683 30.1545 178.7933 459 R 3.9567 7.9827 117.7973 59.1137 30.0505 178.6244 460 F 3.9347 8.4915 120.5928 61.3245 39.3205 176.4737 461 E 4.0213 8.7036 119.0757 59.5486 29.3593 179.0101 462 V 3.4532 7.7873 117.8625 65.9868 31.6393 177.9553 463 S 3.7396 8.0808 114.9878 61.6424 62.7305 176.6092 464 S 3.8950 8.0497 115.8747 61.6637 62.0788 176.5137 465 S 4.1024 8.1357 117.8259 61.3346 62.4513 176.7248 466 L 3.7093 7.7986 122.1420 57.4905 41.1080 179.3409 467 I 3.7847 7.3823 119.6849 64.6263 37.0283 178.4968 468 L 4.0360 7.8470 119.5529 57.6954 41.3778 179.5413 469 R 3.9166 8.4365 119.1401 59.5943 29.9716 178.1741 470 N 4.3516 8.5784 116.8938 56.7479 38.6324 176.6417 471 H 4.2952 8.1179 117.1383 58.9557 28.9194 177.2316 472 N 4.7628 8.2885 117.0841 55.2564 39.4325 176.0425 473 E 4.6871 8.7276 120.6187 53.6076 31.2514 172.4116 474 P 4.6388 0.0000 0.0000 62.2887 32.1800 176.5489 475 F 5.0425 7.9902 113.0630 56.2428 40.2238 176.1465 476 L 3.9687 7.8402 123.0009 58.1688 41.4868 178.6530 477 D 4.7349 8.2282 115.8835 55.1979 39.6721 176.7801 478 R 4.4404 8.3148 118.9984 56.4025 31.0204 175.8294 479 I 4.5858 7.7464 120.6702 61.1132 38.3005 175.0797 480 V 4.6726 9.0021 127.1433 61.4515 34.2527 174.2252 481 T 5.2083 8.6370 120.7887 60.0877 71.3590 171.6813 482 C 5.2764 7.6457 117.7241 58.6339 32.6067 171.6175 483 D 4.3572 7.6827 117.7357 54.2631 44.2426 173.5742 484 E 5.3306 8.7770 119.2520 54.7215 32.8813 175.7067 485 K 4.4077 8.1638 120.7253 55.0408 36.1684 174.5913 486 W 4.7761 8.7013 126.8751 56.3575 30.2603 175.5043 487 I 4.5529 9.0624 126.3325 59.7108 38.6448 175.0071 488 L 5.1037 8.7375 127.3218 54.3416 43.1991 175.2856 489 Y 4.9759 8.0947 119.2626 55.9309 41.7061 173.2717 490 D 4.6062 9.0571 115.6720 55.9023 39.6869 172.7600 491 N 4.9934 8.4063 110.7474 51.7564 37.9053 173.6921 *515 P 4.2181 0.0000 0.0000 62.9325 33.6269 178.3127 516 K 3.1639 9.1365 116.1856 55.4494 30.4402 174.5974 517 K 5.1040 6.8513 112.7295 56.0706 34.9091 174.9021 518 V 4.8838 9.0167 121.7536 60.3242 34.8714 174.1096 519 M 4.4504 8.7858 124.0725 54.7990 33.6974 174.8800 520 V 4.6960 8.3898 125.1745 60.0966 34.7414 174.4784 521 T 5.0554 8.6390 119.3522 61.8506 71.7637 172.9627 522 I 5.3605 8.4537 124.6032 59.1432 41.7511 173.9325 523 W 5.5596 9.7365 128.5529 54.8853 32.7732 174.4061 524 W 5.6910 8.8959 120.1038 55.9442 31.8113 172.8795 525 S 4.9717 9.3806 114.6576 56.4382 66.0588 174.6073 526 A 4.3918 8.2547 119.4471 55.3147 18.0903 178.8694 527 A 4.1829 7.8473 117.7018 53.4570 19.0721 177.2202 528 G 3.8843 8.2321 102.3281 43.3818 0.0000 172.2506 529 L 4.0366 7.7031 122.3909 55.3694 42.6052 176.6872 530 I 4.3423 8.5141 126.7484 63.0019 38.7413 175.6893 531 H 4.7703 7.9932 117.7496 55.6526 32.7880 172.1374 532 Y 5.5777 7.9154 121.6675 56.0880 41.3150 173.9501 533 S 4.5334 8.9069 113.5776 57.3005 66.8819 172.7243 534 F 5.2602 8.6339 119.7077 55.9592 40.6655 175.7492 535 L 4.5125 8.7902 123.3610 53.9577 42.9162 176.7974 536 N 4.5977 8.6845 118.2431 52.4077 39.2846 173.3600 537 P 4.6110 0.0000 0.0000 64.3062 31.8746 177.0439 538 G 3.9342 8.9588 108.6249 45.7759 0.0000 172.6300 539 E 4.6100 8.2183 120.7777 54.3543 31.1304 174.8091 540 T 4.6193 8.3081 120.4921 60.0822 69.1394 173.6372 541 I 3.9065 8.2468 128.8576 60.9379 38.8803 175.4464 542 T 4.7060 8.0952 116.9615 59.5449 72.8053 175.1955 543 S 4.7781 8.3711 116.1035 61.2004 61.8888 175.7394 544 E 4.0151 8.2522 120.8270 59.4374 29.2340 179.3308 545 K 4.1057 8.0992 118.0141 59.2622 32.1408 178.6876 546 Y 4.2494 8.3237 119.7495 60.7671 38.7729 178.0495 547 A 3.9220 8.3746 121.6963 55.3753 18.5854 179.6799 548 Q 3.9198 7.7457 115.7046 58.9253 28.7086 178.7873 549 E 3.8350 8.1469 119.6861 59.3894 29.5043 179.2580 550 I 2.6612 7.4178 119.9041 64.1267 37.0788 178.0922 551 D 4.1582 7.5598 118.9611 57.3000 40.6805 178.5321 552 E 3.7190 7.6634 119.1617 59.3727 29.5793 178.4790 553 M 3.5931 7.7024 118.5548 58.4740 32.1207 177.6328 554 N 4.2781 8.1512 117.5609 56.7580 39.1661 176.8269 555 Q 3.9585 7.9836 119.4130 58.8779 28.7412 178.9951 556 K 3.9402 7.8721 119.4740 59.2328 32.0842 179.1847 557 L 3.9381 8.4961 120.9553 58.3423 41.8120 179.0027 558 Q 4.0083 8.2371 117.1850 59.0679 28.6706 178.8934 559 R 4.0695 7.6112 118.0210 59.1898 30.3110 178.6833 560 L 4.1729 8.1209 118.9113 57.7743 41.3680 178.9215 561 Q 4.3706 7.8493 114.2638 56.2672 29.6686 177.0313 562 L 4.2844 7.2740 122.4796 53.3269 40.5888 175.7763 *568 K 4.0185 7.3904 118.9810 55.6567 33.6040 175.1000 569 R 3.8673 8.3133 121.9496 55.7265 30.0746 175.2317 570 P 4.6470 0.0000 0.0000 62.4970 33.0295 175.2623 571 I 4.8607 8.5301 123.0327 59.4713 40.4915 174.2449 572 L 4.9348 9.2364 129.9577 54.0018 43.7164 174.7423 573 L 5.0524 8.8681 129.3074 53.7758 43.8451 174.7176 574 H 4.9431 8.5956 120.4010 54.5205 31.6674 172.9220 575 D 4.4366 8.4914 118.7656 53.3827 40.1700 175.8519 576 N 4.4481 8.4553 123.1511 53.1439 37.7657 175.8763 577 A 4.1462 8.3102 122.3966 53.7733 19.2961 178.5812 578 R 3.9401 7.3513 115.8489 55.4806 30.6146 175.9761 579 P 4.1998 0.0000 0.0000 66.2011 31.5071 176.7784 580 H 4.5264 7.8697 111.8908 55.7461 29.0221 175.6386 581 V 4.2256 7.2682 121.8049 61.8381 30.0930 173.8174 582 A 4.9589 7.1180 126.0884 50.4531 22.3520 176.5554 583 Q 4.0087 8.7849 114.3972 59.4102 28.9028 177.9874 584 P 4.2731 0.0000 0.0000 65.6697 31.4318 178.7232 585 T 3.9607 7.8606 114.4392 66.7369 68.4088 176.7651 586 L 4.0874 7.9899 120.8555 57.7283 41.5819 179.5457 587 Q 3.9813 8.4013 118.3698 58.8401 28.6762 178.7537 588 K 3.9055 7.9981 120.5263 59.4938 32.1616 178.8108 589 L 3.8909 7.9404 119.2028 57.7280 41.6766 178.9812 590 N 4.2988 8.1600 116.9932 56.7137 38.7000 176.2397 591 E 3.9492 8.3422 119.8300 59.1486 29.7820 178.0352 592 L 4.5171 7.8860 115.5462 53.9418 42.2100 176.7598 593 G 3.7650 7.8738 106.7042 46.6527 0.0000 173.2297 594 Y 4.3267 8.4002 118.6403 56.4080 38.6036 175.8060 595 E 4.2193 8.4646 125.9921 56.1597 31.1866 175.5096 596 V 4.9048 8.1489 123.8735 60.9431 34.2895 174.5843 597 L 4.3253 8.6932 129.8335 53.5002 42.8847 174.8128 598 P 4.3461 0.0000 0.0000 63.4393 31.8992 175.5182 599 H 4.8005 8.3450 120.6990 54.1946 32.6679 171.4067 600 P 4.5115 0.0000 0.0000 61.2970 32.2812 174.2967 601 P 4.0814 0.0000 0.0000 63.9241 31.8633 175.3661 602 Y 3.9437 7.8689 114.9021 59.9440 36.1599 171.6407 603 S 5.2292 7.5932 109.1527 55.8000 63.8862 174.0659 604 P 4.4857 0.0000 0.0000 65.2444 31.9905 178.7204 605 D 4.6369 8.2732 116.7894 54.9131 39.4799 177.1147 606 L 4.9510 8.0909 118.8959 54.4651 42.4000 176.3832 607 L 4.6951 8.1053 120.6448 52.3207 43.5744 175.2889 608 P 2.9700 0.0000 0.0000 65.3238 31.2950 178.7898 609 T 3.9338 7.8333 114.1460 66.3680 66.7016 176.2101 610 N 4.4205 7.6942 118.0336 56.3061 38.8531 176.8990 611 Y 4.3922 7.8879 117.0815 59.6189 38.5552 174.6822 612 H 4.7719 7.9987 117.5554 57.1148 32.1683 175.4330 613 V 3.5641 7.2594 118.4886 66.4105 31.6883 178.6349 614 F 4.6869 8.6227 117.6253 60.0631 38.7901 177.6266 615 K 3.9111 7.6267 118.6577 60.1165 32.0521 178.6146 616 H 4.3098 8.2533 116.3333 58.5228 28.5514 177.6273 617 L 2.4409 7.9026 122.2090 57.7969 41.8950 178.6289 618 N 4.2850 8.3950 116.7355 56.6383 38.2586 177.1049 619 N 4.3683 7.8421 116.2949 56.3122 38.6971 177.0043 620 F 4.2705 8.0563 121.1871 60.8140 39.6951 176.5590 621 L 4.3031 8.1504 117.7521 54.5491 41.6165 176.4408 622 Q 3.9359 7.0087 120.1001 57.9091 29.0851 176.8811 623 G 3.8663 8.9320 112.7182 45.4211 0.0000 172.7420 624 K 4.2962 7.7142 118.7271 54.4920 33.7246 176.1818 625 R 4.5194 7.6218 120.1032 54.1887 33.6925 175.0058 626 F 4.8935 9.8066 119.9361 56.2329 42.2631 175.5864 627 H 5.0445 8.9231 120.0206 55.9972 30.5186 175.0578 628 N 5.0482 7.8742 116.8104 50.9524 42.1403 174.9648 629 Q 2.5200 8.0359 124.4498 59.0735 28.9024 178.9221 630 Q 3.7607 7.6777 119.7923 59.0776 29.2388 177.8181 631 D 4.2566 7.8047 119.2449 57.2759 41.1129 178.3849 632 A 2.5800 7.5040 121.0163 54.7448 18.2300 179.5929 633 E 3.7030 7.8188 117.0290 59.5116 29.3836 179.3403 634 N 4.3452 8.2393 116.3365 55.9843 38.4777 177.4671 635 A 4.1564 7.7444 122.1409 55.0130 18.5354 179.2420 636 F 4.0406 8.0908 118.9274 61.5292 39.5000 176.9041 637 Q 3.7694 8.5687 119.2486 59.2107 28.6439 177.6594 638 E 3.8711 8.0177 118.7274 59.6614 29.8466 178.0931 639 F 3.4944 7.8473 120.0619 61.6507 38.8257 177.6388 640 V 3.1071 7.5179 111.5833 63.7236 31.1199 177.9735 641 E 3.9429 7.7785 116.8021 57.5078 29.6951 177.9093 642 S 4.3302 7.0936 112.6798 58.4129 64.0004 174.6677 643 Q 3.6925 6.2564 121.7131 55.2385 29.1994 176.1709 644 S 4.4709 8.1156 115.5148 57.8673 64.2832 175.3036 645 T 4.2131 8.5695 112.0547 65.2269 68.2171 175.9593 646 D 4.5508 7.8488 121.3000 57.0584 40.8441 177.9581 647 F 4.0589 8.0626 121.0480 61.3303 39.3013 176.8123 648 Y 3.7265 7.8967 115.9286 60.5379 37.8094 177.4629 649 W 4.5769 8.6067 129.4189 61.1711 30.8750 177.9744 650 T 3.9019 7.6538 117.0349 65.8013 67.5905 176.6204 651 G 3.4231 6.9850 105.1982 47.8131 0.0000 175.5606 652 I 3.8271 7.5865 122.1133 63.9344 37.1484 178.2346 653 N 3.8135 7.5658 117.5245 55.0514 37.0324 176.9081 654 Q 3.8355 7.6024 120.1932 57.9985 28.6561 178.1923 655 L 3.3744 7.5355 121.0513 57.5934 41.4819 179.4355 656 I 3.5104 6.9568 119.2243 64.2135 37.0998 178.4907 657 S 4.0032 7.6055 114.6215 61.3861 62.8540 176.6831 658 R 3.4294 7.3942 121.1329 58.4889 29.8039 178.8434 659 W 4.4217 8.0899 119.1183 60.0639 28.9917 178.3985 660 Q 3.9418 8.1923 119.3463 58.8875 28.4627 178.1046 661 K 3.6965 7.7157 120.8685 59.2886 32.0560 178.4161 662 C 4.2858 7.6463 119.1032 62.4100 31.4983 175.7216 663 V 3.1755 7.7201 119.7865 66.1055 30.8856 177.7436 664 D 4.4732 8.1535 117.4367 56.9231 40.8145 177.5804 665 C 4.6355 8.0809 115.8118 58.4919 28.3808 173.4487 666 N 4.4647 9.4444 116.4849 54.4880 36.1250 175.6949 667 G 4.0745 8.9995 106.8009 45.5427 0.0000 174.6870 668 S 4.2301 7.6862 115.5465 57.7718 63.6475 173.4447 669 Y 4.4182 7.7782 119.1149 58.4905 37.9319 176.2927 670 F 5.0319 7.3547 114.2842 56.0916 39.4244 174.6249 671 D 4.1678 7.4980 126.0891 54.2832 38.5479 175.2277 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 440 V 7.91 4.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.84 0.00 0.00 441 K 8.03 3.69 0.00 0.88 1.25 0.00 1.36 0.00 0.00 1.37 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.61 0.21 7.81 442 K 9.68 4.17 0.00 1.42 1.38 0.00 0.85 0.00 0.00 0.92 0.00 0.00 2.13 0.00 0.00 2.40 0.00 0.00 0.00 0.00 1.07 1.06 7.81 443 L 9.41 3.83 0.00 1.79 1.74 1.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 444 D 8.13 4.70 0.00 2.92 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 0.00 445 K 7.72 4.68 0.00 1.96 1.87 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.65 7.81 446 W 8.76 5.02 0.00 3.37 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 0.00 447 V 9.01 4.55 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 0.86 0.00 0.00 1.16 0.00 0.00 448 P 0.00 4.18 0.00 1.90 1.86 0.00 3.60 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.38 0.00 449 H 9.08 4.15 0.00 3.14 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 450 E 7.83 4.58 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 451 L 8.48 4.22 0.00 1.51 1.49 -0.10 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 452 T 8.93 4.11 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 1.25 0.00 0.00 453 E 8.64 3.94 0.00 2.08 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 2.35 2.44 0.00 454 N 8.08 4.38 0.00 2.79 2.86 0.00 0.00 7.17 7.60 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 0.00 455 Q 8.26 4.11 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 456 K 8.07 4.26 0.00 1.97 2.02 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.45 7.81 457 N 8.49 4.32 0.00 2.90 2.86 0.00 0.00 6.67 8.28 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 0.00 458 R 8.13 3.91 0.00 2.09 1.94 0.00 3.27 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 459 R 7.98 3.96 0.00 2.23 2.06 0.00 3.21 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 460 F 8.49 3.93 0.00 3.28 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 461 E 8.70 4.02 0.00 2.26 2.15 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 2.32 2.38 0.00 462 V 7.79 3.45 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 0.99 0.00 0.00 0.97 0.00 0.00 463 S 8.08 3.74 0.00 3.94 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 0.00 464 S 8.05 3.89 0.00 3.45 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 0.00 465 S 8.14 4.10 0.00 3.88 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 0.00 466 L 7.80 3.71 0.00 0.27 0.13 0.30 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 467 I 7.38 3.78 2.00 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 1.75 0.90 0.91 0.00 0.00 468 L 7.85 4.04 0.00 1.69 1.73 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 469 R 8.44 3.92 0.00 1.87 2.19 0.00 2.92 0.00 0.00 2.68 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 470 N 8.58 4.35 0.00 2.65 2.87 0.00 0.00 7.27 7.40 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 0.00 471 H 8.12 4.30 0.00 3.38 3.34 0.00 5.71 0.00 0.00 0.00 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0.00 0.00 1.37 1.32 0.88 0.00 0.00 480 V 9.00 4.67 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 1.03 0.00 0.00 481 T 8.64 5.21 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 -0.05 0.00 0.00 482 C 7.65 5.28 0.00 1.76 1.92 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 0.00 483 D 7.68 4.36 0.00 2.66 2.46 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 0.00 484 E 8.78 5.33 0.00 1.75 1.60 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 2.07 2.28 0.00 485 K 8.16 4.41 0.00 0.93 1.11 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.70 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.10 1.07 7.81 486 W 8.70 4.78 0.00 3.24 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 0.00 487 I 9.06 4.55 2.11 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 1.23 0.79 1.00 0.00 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1.42 0.00 0.00 0.00 0.00 0.00 0.00 574 H 8.60 4.94 0.00 3.09 3.14 0.00 5.57 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 D 8.49 4.44 0.00 2.68 2.53 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 0.00 576 N 8.46 4.45 0.00 2.82 2.81 0.00 0.00 6.25 7.26 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 0.00 577 A 8.31 4.15 1.21 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 0.00 578 R 7.35 3.94 0.00 1.53 1.50 0.00 3.17 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 579 P 0.00 4.20 0.00 2.18 2.19 0.00 3.70 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 1.98 0.00 580 H 7.87 4.53 0.00 3.39 3.52 0.00 5.63 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 581 V 7.27 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 0.83 0.00 0.00 0.69 0.00 0.00 582 A 7.12 4.96 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 583 Q 8.78 4.01 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 584 P 0.00 4.27 0.00 2.25 2.11 0.00 3.71 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 2.28 2.19 0.00 585 T 7.86 3.96 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 1.51 0.00 0.00 586 L 7.99 4.09 0.00 1.87 1.74 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 587 Q 8.40 3.98 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.71 0.00 588 K 8.00 3.91 0.00 1.95 1.93 0.00 1.44 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.39 7.81 589 L 7.94 3.89 0.00 1.91 1.73 0.96 0.20 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 0.00 590 N 8.16 4.30 0.00 2.87 2.98 0.00 0.00 6.87 7.79 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 0.00 591 E 8.34 3.95 0.00 2.04 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 0.00 2.33 2.37 0.00 592 L 7.89 4.52 0.00 1.85 1.93 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 593 G 7.87 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 594 Y 8.40 4.33 0.00 2.86 2.94 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 0.00 595 E 8.46 4.22 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.22 0.00 596 V 8.15 4.90 2.12 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 0.92 0.00 0.00 0.97 0.00 0.00 597 L 8.69 4.33 0.00 1.85 1.58 0.50 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 598 P 0.00 4.35 0.00 2.00 1.94 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 599 H 8.35 4.80 0.00 3.06 3.16 0.00 5.92 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 600 P 0.00 4.51 0.00 2.22 2.17 0.00 3.51 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 1.99 1.99 0.00 601 P 0.00 4.08 0.00 2.00 1.62 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 602 Y 7.87 3.94 0.00 3.25 3.13 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 0.00 603 S 7.59 5.23 0.00 3.94 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 0.00 604 P 0.00 4.49 0.00 2.22 2.18 0.00 3.68 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.17 0.00 605 D 8.27 4.64 0.00 2.58 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 0.00 606 L 8.09 4.95 0.00 2.10 2.06 1.24 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 607 L 8.11 4.70 0.00 1.81 1.54 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 608 P 0.00 2.97 0.00 2.10 2.12 0.00 3.48 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 609 T 7.83 3.93 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 0.24 0.00 0.00 610 N 7.69 4.42 0.00 3.15 2.94 0.00 0.00 6.92 7.48 0.00 0.00 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 Y 7.89 4.39 0.00 3.04 3.12 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 0.00 612 H 8.00 4.77 0.00 3.15 3.12 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 613 V 7.26 3.56 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 1.13 0.00 0.00 0.07 0.00 0.00 614 F 8.62 4.69 0.00 3.10 2.98 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 0.00 615 K 7.63 3.91 0.00 1.88 1.94 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.47 7.81 616 H 8.25 4.31 0.00 3.60 3.59 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 617 L 7.90 2.44 0.00 1.25 1.73 0.48 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 618 N 8.40 4.28 0.00 2.99 2.86 0.00 0.00 7.10 6.50 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 0.00 619 N 7.84 4.37 0.00 2.96 2.93 0.00 0.00 7.02 6.78 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 0.00 620 F 8.06 4.27 0.00 2.93 2.90 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 0.00 621 L 8.15 4.30 0.00 1.78 1.79 1.04 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 622 Q 7.01 3.94 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 623 G 8.93 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 0.00 624 K 7.71 4.30 0.00 1.58 1.14 0.00 1.42 0.00 0.00 1.55 0.00 0.00 2.51 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.17 1.28 7.81 625 R 7.62 4.52 0.00 1.51 1.52 0.00 3.09 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 626 F 9.81 4.89 0.00 3.19 2.90 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 0.00 627 H 8.92 5.04 0.00 3.21 3.38 0.00 5.66 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 628 N 7.87 5.05 0.00 2.86 2.62 0.00 0.00 6.77 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 0.00 629 Q 8.04 2.52 0.00 1.01 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.91 0.00 0.00 0.00 0.00 0.00 2.09 1.95 0.00 630 Q 7.68 3.76 0.00 2.08 1.99 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 2.37 2.44 0.00 631 D 7.80 4.26 0.00 3.02 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 0.00 632 A 7.50 2.58 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 0.00 633 E 7.82 3.70 0.00 1.62 1.12 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 1.47 2.09 0.00 634 N 8.24 4.35 0.00 2.86 2.89 0.00 0.00 6.92 6.59 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 0.00 635 A 7.74 4.16 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 0.00 636 F 8.09 4.04 0.00 3.29 3.43 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 0.00 637 Q 8.57 3.77 0.00 2.51 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.50 0.00 0.00 0.00 0.00 0.00 2.51 2.66 0.00 638 E 8.02 3.87 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 639 F 7.85 3.49 0.00 1.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 640 V 7.52 3.11 1.85 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 0.24 0.00 0.00 0.28 0.00 0.00 641 E 7.78 3.94 0.00 2.01 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 2.41 2.42 0.00 642 S 7.09 4.33 0.00 3.85 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 0.00 643 Q 6.26 3.69 0.00 1.36 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.99 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.00 644 S 8.12 4.47 0.00 4.04 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 0.00 645 T 8.57 4.21 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 1.33 0.00 0.00 646 D 7.85 4.55 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 0.00 647 F 8.06 4.06 0.00 2.97 2.94 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 0.00 648 Y 7.90 3.73 0.00 3.48 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 649 W 8.61 4.58 0.00 3.66 3.32 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 0.00 650 T 7.65 3.90 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 1.05 0.00 0.00 651 G 6.99 3.42 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 0.00 652 I 7.59 3.83 1.86 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.07 0.84 0.00 0.00 653 N 7.57 3.81 0.00 2.05 1.42 0.00 0.00 7.07 6.65 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 0.00 654 Q 7.60 3.84 0.00 2.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 655 L 7.54 3.37 0.00 0.92 0.13 0.88 1.16 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 0.00 656 I 6.96 3.51 1.68 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.59 0.89 0.00 0.00 657 S 7.61 4.00 0.00 3.88 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 0.00 658 R 7.39 3.43 0.00 1.62 1.87 0.00 2.21 0.00 0.00 2.64 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 659 W 8.09 4.42 0.00 3.32 3.17 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 0.00 0.00 0.00 660 Q 8.19 3.94 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 661 K 7.72 3.70 0.00 1.50 0.74 0.00 1.45 0.00 0.00 1.39 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.94 1.06 7.81 662 C 7.65 4.29 0.00 3.37 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 663 V 7.72 3.18 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 0.73 0.00 0.00 0.47 0.00 0.00 664 D 8.15 4.47 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 665 C 8.08 4.64 0.00 3.14 3.04 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 0.00 666 N 9.44 4.46 0.00 2.90 2.88 0.00 0.00 7.01 7.18 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 0.00 667 G 9.00 4.07 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 0.00 0.00 0.00 668 S 7.69 4.23 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 669 Y 7.78 4.42 0.00 2.93 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 0.00 670 F 7.35 5.03 0.00 3.10 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 0.00 671 D 7.50 4.17 0.00 2.73 2.68 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.