NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 504 D 4.6266 8.3229 119.5551 53.2090 42.6309 178.0148 505 K 3.8047 8.1354 124.7596 58.8560 31.5021 178.8413 506 S 4.4943 8.9153 115.6011 61.4475 62.7611 175.4820 507 N 4.3607 8.3044 120.8158 56.9155 38.3855 178.0732 508 K 4.0161 8.5529 125.2761 59.9517 31.7949 181.0330 509 L 4.3739 8.3250 120.7389 57.4682 41.4880 179.6797 510 Q 3.6635 9.1500 118.8557 58.8709 28.5047 178.4899 511 N 4.3133 8.0945 117.3970 56.2670 38.5461 177.4776 512 L 3.9705 8.0627 120.1854 57.9534 41.8022 179.6245 513 V 3.5710 8.1695 118.0578 65.9568 31.3086 177.9417 514 A 3.5900 8.1685 120.2967 55.1998 18.3027 179.2869 515 E 3.9427 8.3427 117.2735 59.7572 29.1894 179.5148 516 Q 3.9468 8.2441 119.4816 59.2371 29.1093 178.3744 517 L 3.8431 7.6150 120.0371 57.4051 41.4369 179.5564 518 V 4.1642 7.7188 120.2399 65.5407 31.3322 178.3246 519 G 3.7650 8.2369 104.0735 47.1753 0.0000 174.2666 520 C 4.7818 7.5490 115.7950 59.2458 28.4346 174.1032 521 G 3.9419 8.3627 108.8904 45.7515 0.0000 173.9156 522 F 4.6562 8.5219 118.0913 56.9080 40.7072 174.2902 523 N 5.1854 9.9444 120.2894 51.5674 41.1393 173.5449 524 E 3.7103 8.6733 124.8246 55.2471 30.3838 175.5017 525 I 4.2666 7.9668 120.3984 58.9174 40.6786 174.9144 526 L 4.5312 7.9795 123.1265 53.4753 44.2084 175.0405 527 N 5.0667 8.9650 123.4766 50.9519 41.4848 174.4711 528 N 4.5774 8.4386 117.8152 53.5192 39.2375 176.0514 529 S 4.4099 8.5990 117.6500 61.1994 63.4185 175.0577 530 L 4.3629 7.7381 120.3050 55.1613 42.2532 176.4278 531 T 4.6683 8.9307 117.1258 61.3111 71.9774 171.6087 532 R 4.6600 8.1386 120.6278 54.3442 31.3446 177.6747 533 A 4.0908 9.3615 127.0756 55.4292 18.3416 179.3467 534 A 3.9664 7.9197 118.5485 55.4568 18.1825 179.0871 535 Y 4.0905 7.4353 114.3874 61.0009 38.0990 177.6358 536 Y 4.6611 8.2977 115.8608 56.9858 38.3673 175.0370 537 D 4.5789 7.4393 120.6244 56.4026 41.1335 177.2324 538 G 4.0535 9.0581 112.8916 45.1810 0.0000 173.4597 539 L 4.2588 8.0362 120.4929 54.8701 42.3048 177.3500 540 E 4.3249 8.9229 122.4244 57.8034 30.6924 177.4043 541 S 4.2130 8.2860 112.7355 60.3721 63.5056 173.8924 542 Y 4.7605 7.5687 118.0523 54.7606 38.2380 172.5713 543 P 4.8356 0.0000 0.0000 61.6612 32.8958 178.3854 544 S 4.2290 9.1914 117.6526 61.8534 62.8794 177.1164 545 K 3.9921 8.1698 117.3027 59.4654 32.4452 177.0145 546 N 5.2264 8.1841 115.7069 52.2218 38.6267 174.5192 547 L 4.3562 7.8749 119.7605 54.3206 42.6643 177.0696 548 V 3.9384 8.1173 122.0989 62.2442 32.5160 175.0171 *550 L 4.1240 8.0052 124.2282 53.9525 42.6858 176.5382 551 L 3.9214 8.2256 121.6273 56.4802 43.1493 176.5185 552 N 4.1266 8.6942 119.8557 53.9992 35.7541 173.5693 553 P 4.3741 0.0000 0.0000 64.7128 32.4965 178.5486 554 L 4.0854 7.8693 118.9541 57.2502 41.6737 177.6870 555 S 4.4820 7.6840 110.8209 58.0422 63.5549 173.7289 556 A 4.6956 7.4140 123.4968 50.3780 21.7200 175.6878 557 D 4.2517 8.8486 122.2223 57.0617 41.5516 176.5916 558 L 4.4538 7.6780 120.7626 53.9162 41.4474 175.8235 559 N 5.1451 8.6894 119.6841 52.0791 39.5240 173.8068 560 C 4.5301 7.5086 117.9747 58.7389 33.9699 174.8448 *562 R 4.4753 8.4833 114.1130 56.0389 29.8641 175.7962 563 Q 4.8179 8.9053 120.7101 56.3981 29.9561 175.3144 564 T 4.4069 7.5435 109.8056 59.1960 70.1934 173.9518 565 L 4.3174 8.2524 124.8870 56.4513 41.8295 179.1036 566 L 3.6523 7.4128 121.2817 58.2343 41.7978 179.0381 567 F 3.8819 7.4069 117.0756 60.2342 38.8835 177.5956 568 G 3.8214 8.3274 105.1438 47.8737 0.0000 175.7833 569 G 2.2540 7.4491 107.2519 46.9659 0.0000 175.8004 570 L 3.8502 7.4834 121.5359 57.4714 41.5476 179.3567 571 E 4.0351 8.1018 118.3904 59.7150 29.2112 179.7133 572 S 4.0331 7.6649 113.7373 61.4694 63.0754 176.6074 573 I 3.9732 7.9002 122.1942 64.5272 36.7178 178.1668 574 A 4.0648 8.1958 122.9185 56.1608 18.2772 179.3310 *575 H 4.5367 8.0408 114.6217 56.5555 28.7372 177.3559 576 N 4.6789 7.9121 119.9071 53.7344 39.2788 175.4644 577 A 4.0146 8.8206 128.9597 55.0929 18.5208 177.5391 578 N 4.7462 7.9619 110.6010 52.8726 38.7356 175.2898 579 R 3.7521 7.6756 115.8936 56.6942 28.0778 176.4262 *582 A 4.2268 8.2355 125.5723 51.7776 20.2419 176.0583 583 D 4.8560 7.8182 114.4089 53.6572 42.0729 175.0047 584 L 4.0811 7.8611 118.5798 53.3898 42.9693 176.0592 585 K 4.6278 8.2335 122.5344 54.5075 35.3317 175.0882 586 F 6.3000 9.8459 124.3534 54.9660 42.6504 174.5702 587 F 5.8287 8.7180 115.6566 55.5184 41.8601 172.9959 588 E 4.7892 9.2752 120.9053 54.9090 33.1113 173.7320 589 F 4.6781 8.8549 125.8663 56.4252 40.4266 175.3657 590 G 4.1083 8.0295 108.2055 45.3165 0.0000 172.3667 591 N 5.2518 9.1148 119.5296 53.3390 39.3811 174.3919 592 C 5.1116 9.4915 120.6691 58.2024 32.1866 172.3631 593 Y 5.3056 9.1641 117.5567 56.7726 41.6970 174.4025 594 H 5.2792 9.4189 121.7445 54.6925 34.0190 171.4681 595 F 4.8753 9.1014 127.6545 57.7663 41.2162 173.4746 596 D 3.8084 8.5665 126.8635 55.3540 40.5626 176.2612 *607 A 4.1463 8.2120 128.4585 51.2635 19.7896 175.4646 608 P 4.2010 0.0000 0.0000 65.6278 31.9816 175.8170 609 Y 5.5458 7.7679 116.0285 56.6388 39.7805 175.3280 610 S 4.9051 9.4890 116.7019 56.7420 67.2064 172.1927 611 E 4.9382 8.9131 121.9472 54.6156 31.6333 174.6136 612 D 5.1209 8.9836 125.8694 52.6869 45.6294 173.7382 613 Y 5.2204 8.6288 121.8029 56.5459 40.9963 174.0607 614 H 5.2733 9.2557 123.0160 53.8526 33.4442 172.1340 615 L 4.3673 8.8108 123.5289 53.2624 43.9531 175.2808 616 G 3.8617 8.7291 114.2652 44.2607 0.0000 172.0004 617 L 5.4783 7.7828 122.5795 52.3454 45.6404 175.6082 618 W 5.5550 10.0337 122.3998 55.0164 32.9012 174.3567 619 V 4.8582 9.1726 125.2564 61.2930 33.5412 174.4420 620 T 4.8990 8.9226 119.1782 60.9144 70.5937 174.3954 621 G 4.5320 8.7385 109.5452 44.5645 0.0000 170.3853 *625 S 4.4638 8.2944 113.0257 58.0435 64.0967 172.3941 626 N 4.4342 9.0294 116.5319 56.7968 38.2108 175.9754 627 S 4.5972 7.5819 110.5973 57.1359 64.1196 174.8839 628 W 4.1265 9.0745 131.4534 60.7724 30.2652 177.9647 629 A 4.0433 8.2210 118.7096 54.8751 17.8014 178.6925 630 H 4.8500 7.6072 112.1033 55.6941 30.0652 176.9284 631 A 4.0403 7.3565 124.6248 54.6745 18.1339 178.5396 632 D 4.5577 7.7685 116.8249 54.0360 39.3387 176.3700 633 E 4.4809 7.5675 113.6468 55.4763 33.8611 178.7211 *635 T 4.1214 8.3240 116.8182 61.7037 67.0189 172.6615 636 S 4.4530 7.6300 121.7832 55.6906 66.0594 175.8117 637 V 3.0619 7.8083 113.7169 64.3273 30.9964 178.3039 638 Y 4.0824 7.2174 116.0441 60.4187 37.7429 177.6235 639 E 3.7017 7.7204 120.1538 58.8358 29.5878 178.5944 640 L 4.1382 7.5229 120.0458 58.0404 42.3196 178.5467 641 K 3.1325 8.0087 119.3948 59.1423 31.9564 178.5547 642 A 3.7944 7.9265 120.9556 55.3652 18.3237 179.0179 643 Y 4.1628 7.2878 114.9693 61.3052 37.8972 179.4150 644 V 3.0107 7.7383 119.2138 65.6643 31.5688 177.5122 645 E 3.8336 8.2132 119.2990 59.5822 29.4514 178.6071 646 N 4.4918 8.3675 116.5883 56.2299 38.5334 177.5775 647 I 3.7082 7.5139 121.3066 64.3257 37.1788 178.2477 648 F 4.5382 8.2781 119.0640 60.8939 38.7898 178.0141 649 K 4.0303 8.7162 118.3384 59.4102 31.6425 179.4750 650 R 4.0091 7.9939 117.9575 58.6348 30.0634 177.5290 651 L 4.4281 7.7002 116.5311 53.8370 42.0880 176.5713 652 G 3.7818 7.9220 107.0297 46.3134 0.0000 173.7465 653 L 3.9150 7.8212 121.4682 54.0730 42.8245 176.2156 654 D 4.5230 8.3960 125.2941 53.2452 40.1482 176.3124 655 L 3.9688 8.4285 128.1567 57.9651 41.7843 179.1419 656 H 4.5970 7.8500 113.5771 56.8936 28.9883 176.3677 657 S 4.3301 8.0667 114.5713 59.9285 63.5101 174.1245 658 L 4.4115 7.2772 120.7632 54.5787 42.2086 176.8353 659 V 4.2044 8.9441 124.4693 61.5764 32.9532 174.4954 660 V 4.8030 8.4205 121.7179 59.6896 33.6503 175.5652 661 G 4.2528 8.9923 111.4851 44.5140 0.0000 170.8481 662 N 5.5197 8.5503 116.2918 51.2855 41.2726 174.6432 663 L 4.7343 8.9077 123.8668 53.4197 45.8583 174.8390 664 S 5.0488 8.8028 120.0571 56.6841 64.0757 172.2096 665 D 5.0438 10.0863 126.5057 51.9007 44.5056 175.7306 666 D 4.5757 8.7441 120.3103 55.6277 39.7426 177.3644 667 I 4.0139 7.8524 120.5280 62.0852 38.0327 175.1150 668 Y 5.3189 7.1802 115.3322 55.8597 39.9891 176.7105 669 S 4.2975 9.0847 120.7833 61.0604 63.5394 174.5687 670 T 4.9783 7.4145 109.6735 59.7515 72.3934 172.2821 671 A 4.3773 8.1858 122.2562 51.4133 23.4297 174.9579 672 L 4.9497 7.6429 119.7285 53.0098 44.4878 176.1088 673 T 4.8412 8.3612 113.2209 60.2764 71.6821 173.8150 674 V 4.7717 8.8150 123.1394 61.4875 34.5847 173.9907 675 N 5.6688 9.1315 125.2182 51.2019 42.6857 174.3285 676 T 4.3163 8.5941 114.0998 61.9386 69.8468 176.3178 677 K 4.0275 8.0177 120.8986 57.2562 31.7601 178.5039 678 G 3.7128 7.8653 105.0382 46.5461 0.0000 174.3366 679 G 4.0043 7.7188 108.6788 45.7131 0.0000 174.9446 680 K 4.1274 8.3038 123.0742 53.7538 32.3139 181.8394 681 R 4.3792 8.5617 124.5568 55.8247 30.6218 175.6891 682 L 4.6083 9.2267 125.2668 56.4173 43.8016 176.2972 683 A 5.1306 7.5865 117.1244 51.4956 22.7542 175.4424 684 T 5.1407 8.8440 115.9095 61.8748 72.9206 173.2894 685 F 5.1771 8.0360 119.5889 55.2748 41.4640 174.0401 686 G 4.0927 8.4101 109.3621 46.4628 0.0000 172.4909 687 V 4.7948 8.0416 124.0409 60.8892 33.5102 176.2632 688 V 4.3698 8.4251 129.3128 62.7849 31.9741 175.9254 689 T 3.9946 8.6535 118.5407 62.0044 68.8549 174.6057 690 K 4.0462 8.8320 123.1007 59.6031 32.5873 179.1972 691 K 3.8181 8.1711 116.8642 57.7811 32.3569 177.5799 *693 L 4.3433 8.0951 121.4080 55.2106 43.8337 179.9805 694 K 3.9202 8.7739 119.9585 57.6130 31.8419 180.8541 695 A 3.9152 8.1518 122.2510 54.7690 18.1736 178.3373 696 F 4.3728 8.0633 110.6327 56.7068 39.4100 175.2285 697 D 4.4036 7.9988 118.9879 55.8324 38.3596 174.0631 698 V 4.4313 8.1165 117.5174 61.3238 34.2055 174.1362 699 D 4.6947 8.7653 125.9191 55.9209 42.2093 176.9233 700 N 4.6352 7.7657 114.4321 52.0165 39.7408 174.3536 701 E 3.8902 8.5736 121.7051 57.1137 31.0867 175.7917 702 V 4.6253 7.8783 123.8747 61.2872 35.0982 173.2760 703 Y 5.3313 8.9611 125.8787 56.4795 40.3326 174.0154 704 Y 5.2201 9.3857 125.2597 55.6341 42.1916 173.8987 705 A 4.8675 7.8783 127.2917 49.8957 22.5614 174.1862 706 D 4.7522 9.2078 122.3656 52.3935 43.7069 174.6268 707 L 4.9291 8.9552 127.2228 53.1055 44.1116 176.8189 708 N 4.8339 9.1421 123.0987 51.7224 36.8399 175.2097 709 W 4.3696 8.9656 134.1848 60.9306 31.3485 179.1754 710 K 4.0805 8.2945 118.1204 57.5787 31.2401 179.5771 711 E 4.1799 8.0049 116.8425 57.7997 29.7933 176.9023 712 L 4.0747 7.3261 123.6174 54.7245 41.7123 176.3294 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 504 D 8.32 4.63 0.00 2.62 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 K 8.14 3.80 0.00 1.83 1.85 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.12 7.81 506 S 8.92 4.49 0.00 3.99 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 0.00 507 N 8.30 4.36 0.00 2.77 2.84 0.00 0.00 7.13 7.10 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 0.00 508 K 8.55 4.02 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 509 L 8.32 4.37 0.00 1.95 1.93 0.87 1.18 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 0.00 510 Q 9.15 3.66 0.00 2.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 1.16 2.52 0.00 511 N 8.09 4.31 0.00 3.04 2.87 0.00 0.00 7.08 6.90 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 0.00 512 L 8.06 3.97 0.00 1.95 1.76 0.94 0.73 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 0.00 513 V 8.17 3.57 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.33 0.00 0.00 514 A 8.17 3.59 1.62 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 0.00 0.00 515 E 8.34 3.94 0.00 2.18 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 0.00 2.37 2.37 0.00 516 Q 8.24 3.95 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 517 L 7.61 3.84 0.00 1.04 0.83 -0.19 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 518 V 7.72 4.16 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 1.32 0.00 0.00 1.23 0.00 0.00 519 G 8.24 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 0.00 520 C 7.55 4.78 0.00 3.37 3.30 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 0.00 521 G 8.36 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 0.00 522 F 8.52 4.66 0.00 3.15 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 0.00 523 N 9.94 5.19 0.00 2.87 2.75 0.00 0.00 6.75 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 524 E 8.67 3.71 0.00 1.16 1.57 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 1.93 1.60 0.00 525 I 7.97 4.27 1.42 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.52 -0.04 0.00 0.00 526 L 7.98 4.53 0.00 1.46 1.45 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 527 N 8.96 5.07 0.00 2.76 2.66 0.00 0.00 7.11 8.49 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 0.00 528 N 8.44 4.58 0.00 2.74 2.77 0.00 0.00 7.00 7.57 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 0.00 529 S 8.60 4.41 0.00 3.92 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 0.00 530 L 7.74 4.36 0.00 1.53 1.59 0.90 0.69 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 0.00 531 T 8.93 4.67 4.42 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 1.48 0.00 0.00 532 R 8.14 4.66 0.00 0.67 1.33 0.00 2.63 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.24 0.00 533 A 9.36 4.09 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 0.00 534 A 7.92 3.97 1.26 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 0.00 0.00 0.00 535 Y 7.44 4.09 0.00 2.60 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 0.00 0.00 0.00 536 Y 8.30 4.66 0.00 3.19 3.18 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 0.00 0.00 0.00 537 D 7.44 4.58 0.00 2.95 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 0.00 538 G 9.06 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 0.00 539 L 8.04 4.26 0.00 2.16 1.79 1.23 0.77 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 0.00 540 E 8.92 4.32 0.00 1.94 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 541 S 8.29 4.21 0.00 3.78 4.24 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 0.00 633 E 7.57 4.48 0.00 1.96 1.69 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 2.17 2.10 0.00 *635 T 8.32 4.12 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 1.35 0.00 0.00 636 S 7.63 4.45 0.00 4.03 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 0.00 637 V 7.81 3.06 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 0.65 0.00 0.00 0.31 0.00 0.00 638 Y 7.22 4.08 0.00 3.07 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 0.00 639 E 7.72 3.70 0.00 1.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 640 L 7.52 4.14 0.00 1.85 1.82 0.99 0.70 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 0.00 641 K 8.01 3.13 0.00 1.92 1.97 0.00 1.98 0.00 0.00 1.96 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.55 7.81 642 A 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3.31 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 651 L 7.70 4.43 0.00 1.67 1.58 0.64 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 652 G 7.92 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 0.00 653 L 7.82 3.92 0.00 1.62 1.47 0.72 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 654 D 8.40 4.52 0.00 2.76 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 0.00 655 L 8.43 3.97 0.00 1.69 1.60 1.01 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 656 H 7.85 4.60 0.00 3.10 3.33 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 657 S 8.07 4.33 0.00 3.97 4.08 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 0.00 658 L 7.28 4.41 0.00 1.66 1.62 0.72 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 659 V 8.94 4.20 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 1.04 0.00 0.00 0.92 0.00 0.00 660 V 8.42 4.80 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 661 G 8.99 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 0.00 0.00 0.00 0.00 662 N 8.55 5.52 0.00 2.56 2.67 0.00 0.00 6.54 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 0.00 663 L 8.91 4.73 0.00 1.50 1.33 1.10 0.71 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 0.00 664 S 8.80 5.05 0.00 3.88 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 0.00 665 D 10.09 5.04 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.74 4.58 0.00 2.88 2.84 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 0.00 0.00 0.00 0.00 667 I 7.85 4.01 1.55 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.70 0.02 0.00 0.00 668 Y 7.18 5.32 0.00 2.99 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 0.00 669 S 9.08 4.30 0.00 4.03 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 0.00 670 T 7.41 4.98 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 1.22 0.00 0.00 671 A 8.19 4.38 0.40 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 0.00 672 L 7.64 4.95 0.00 0.42 1.16 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 673 T 8.36 4.84 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 1.15 0.00 0.00 674 V 8.81 4.77 2.27 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 1.02 0.00 0.00 1.21 0.00 0.00 675 N 9.13 5.67 0.00 2.76 2.63 0.00 0.00 6.32 7.47 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 0.00 676 T 8.59 4.32 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 677 K 8.02 4.03 0.00 1.87 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.26 7.81 678 G 7.87 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 0.00 679 G 7.72 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 0.00 680 K 8.30 4.13 0.00 1.71 1.70 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.37 1.24 7.81 681 R 8.56 4.38 0.00 1.76 1.91 0.00 3.40 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 682 L 9.23 4.61 0.00 1.67 1.64 0.70 0.53 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 0.00 683 A 7.59 5.13 1.49 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 0.00 0.00 684 T 8.84 5.14 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 1.15 0.00 0.00 685 F 8.04 5.18 0.00 3.05 2.89 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 0.00 686 G 8.41 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 0.00 0.00 0.00 687 V 8.04 4.79 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 0.96 0.00 0.00 1.19 0.00 0.00 688 V 8.43 4.37 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 0.75 0.00 0.00 0.94 0.00 0.00 689 T 8.65 3.99 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 1.27 0.00 0.00 690 K 8.83 4.05 0.00 1.89 1.90 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.49 7.81 691 K 8.17 3.82 0.00 1.79 1.80 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.50 7.81 *693 L 8.10 4.34 0.00 1.96 1.95 0.87 1.15 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 0.00 694 K 8.77 3.92 0.00 1.63 1.81 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.26 7.81 695 A 8.15 3.92 1.26 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 0.00 0.00 0.00 696 F 8.06 4.37 0.00 2.95 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 0.00 697 D 8.00 4.40 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 698 V 8.12 4.43 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 0.81 0.00 0.00 1.00 0.00 0.00 699 D 8.77 4.69 0.00 2.68 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 0.00 700 N 7.77 4.64 0.00 2.68 2.71 0.00 0.00 6.80 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 0.00 701 E 8.57 3.89 0.00 2.03 1.66 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 0.00 2.14 1.91 0.00 702 V 7.88 4.63 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 1.09 0.00 0.00 0.93 0.00 0.00 703 Y 8.96 5.33 0.00 3.12 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 0.00 704 Y 9.39 5.22 0.00 2.94 2.87 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 0.00 705 A 7.88 4.87 0.94 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 0.00 706 D 9.21 4.75 0.00 2.55 2.57 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 0.00 707 L 8.96 4.93 0.00 1.76 1.73 0.75 0.71 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 0.00 708 N 9.14 4.83 0.00 2.97 2.81 0.00 0.00 6.19 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 0.00 709 W 8.97 4.37 0.00 3.52 3.49 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 0.00 710 K 8.29 4.08 0.00 1.81 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.04 7.81 711 E 8.00 4.18 0.00 2.14 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 2.35 2.56 0.00 712 L 7.33 4.07 0.00 1.28 1.33 1.05 1.13 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 * Residues marked with a * may have inaccurate shift predictions.