NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 605 T 4.2374 8.1749 110.9289 61.4931 70.2313 172.6809 606 T 4.1059 8.0060 118.9593 62.0109 69.7479 170.6714 607 E 4.6101 8.9771 128.4211 55.8338 30.8112 174.9945 608 I 4.6651 8.4543 126.6054 59.2662 41.6439 173.9465 609 H 4.3649 8.5246 125.3727 54.3429 30.9493 174.3403 610 P 4.1335 0.0000 0.0000 65.4537 31.3953 178.6229 611 S 4.2352 7.8883 111.8472 61.1888 63.4418 175.2460 612 C 4.2256 8.4350 118.6861 61.1896 28.2512 172.9629 613 V 4.6578 6.9905 118.4940 61.4857 33.0944 175.4294 614 T 4.4437 8.9219 121.7104 60.1215 70.0827 173.1515 615 R 4.1507 8.6212 128.2486 57.0538 30.3305 175.9280 616 Q 4.6267 9.1546 120.5344 56.9141 31.3592 176.0352 617 K 4.8037 7.8097 116.3615 55.0292 36.3460 175.2951 618 V 3.7514 8.4299 122.8272 62.6881 32.0102 175.4112 619 I 4.5592 9.1532 119.6529 59.4009 39.0125 174.9739 620 G 4.1130 7.1523 109.9858 46.8307 0.0000 171.2580 621 A 4.9491 8.2965 120.6039 50.2903 22.3982 175.8748 622 G 4.2380 8.7258 110.7114 43.1165 0.0000 173.0126 623 E 3.7536 8.7321 118.7679 58.4774 29.4209 177.6523 624 F 4.8256 9.2001 114.3258 56.3714 40.6035 175.2439 625 G 4.5562 6.8435 108.3127 44.6370 0.0000 171.5307 626 E 4.6252 8.0296 118.6024 56.1624 30.9670 176.3918 627 V 5.0541 8.4567 121.5101 61.5709 34.5882 174.0779 628 Y 5.2369 8.9093 123.2449 56.1009 42.4999 174.3453 629 K 4.5592 9.1409 122.8504 56.1834 34.2060 176.1758 630 G 4.1984 8.3542 111.4660 46.3880 0.0000 171.4001 631 M 5.2892 8.3736 119.9858 53.7594 36.5048 174.1313 632 L 4.9294 8.9376 126.2859 53.3875 44.5737 175.0911 633 K 4.6448 8.8541 128.0458 54.9431 32.4483 175.7106 634 T 3.8356 8.0542 123.4263 64.4345 66.9610 175.0918 *638 K 4.3010 7.2453 119.7813 54.7640 34.3430 175.0030 639 K 4.6179 7.3900 115.1527 55.8780 36.3374 173.9379 640 E 5.1121 8.8040 124.7794 54.7011 31.4192 175.2530 641 V 4.6673 8.6525 125.6457 58.9745 34.8863 173.1059 642 P 4.8472 0.0000 0.0000 63.6313 31.8895 175.7576 643 V 4.9152 8.4798 113.3229 60.1976 36.7872 173.6280 644 A 5.0699 8.8291 124.6636 51.1758 21.3193 176.8315 645 I 4.9282 8.9539 120.9892 59.5729 40.8555 174.7892 646 K 4.9316 9.3197 128.9334 55.7934 33.0691 176.8347 647 T 4.9874 8.7287 116.0979 60.3879 71.0877 173.8710 648 L 4.4653 7.8603 125.3432 52.6039 43.5001 176.2976 649 K 4.2247 8.9368 126.5762 56.6263 33.6325 176.5705 650 A 4.2553 8.6994 125.8809 54.2909 18.6588 177.9684 651 G 3.8319 8.6703 109.4801 44.7073 0.0000 173.3011 652 Y 4.4744 7.4233 117.6977 57.8566 38.3397 177.3493 653 T 4.3637 8.7766 113.1445 60.5811 71.6919 175.7474 654 E 4.0205 8.5836 120.6685 59.3361 29.6025 178.1869 655 K 3.8916 8.1837 119.1617 59.9561 32.1569 178.5392 656 Q 4.2069 8.2530 118.0858 58.7338 28.5811 178.4728 657 R 3.5998 8.1417 119.8435 59.4073 30.0502 178.7823 658 V 3.5317 7.9683 117.9585 66.2071 31.4502 177.6603 659 D 4.3586 8.2579 118.7124 57.3163 40.1823 178.5222 660 F 3.2054 8.0620 121.4866 61.0907 39.4022 177.3562 661 L 3.6608 8.2687 118.7274 57.1983 41.3559 179.9242 662 G 3.5055 8.1433 106.2839 47.7805 0.0000 175.0986 663 E 3.9460 7.8350 122.0918 59.1288 29.5482 178.9084 664 A 3.9767 7.4563 120.3480 54.9390 18.1423 179.7948 665 G 3.4805 7.6612 103.5711 47.8831 0.0000 175.7781 666 I 3.7546 7.5079 122.0107 64.2467 37.3697 178.1553 667 M 3.6179 7.9689 119.1743 58.2832 31.7769 178.2511 668 G 3.6027 7.5732 104.5558 46.8057 0.0000 175.0149 669 Q 4.0018 7.0657 118.4482 55.9829 29.1247 175.6826 670 F 5.3167 7.0351 118.9812 55.6989 41.1526 175.4571 671 S 4.3722 9.0732 119.1309 57.3480 63.8269 172.4476 672 H 4.2788 8.1196 124.9976 54.8149 32.4413 173.6716 673 H 4.0617 8.5796 126.1778 59.2850 29.7317 175.4982 674 N 5.0458 8.1004 115.2357 53.0038 39.7544 174.4207 675 I 5.0589 7.6031 119.0347 59.2284 40.5718 175.7921 676 I 3.9035 8.5335 128.0787 62.2445 38.0181 175.4007 677 R 4.3744 8.8053 127.3492 54.8399 31.4927 174.9379 678 L 4.3888 8.4849 129.3088 55.0689 41.9304 176.3564 679 E 4.1209 9.4002 128.0819 57.3401 30.1521 177.6381 680 G 4.2696 7.3211 108.0269 44.6459 0.0000 171.3753 681 V 4.6958 7.9116 113.5573 59.4778 34.1682 175.7573 682 I 4.8355 8.6267 122.6935 60.0568 37.9256 176.4225 683 S 4.7494 9.0989 118.9708 57.6930 64.1659 175.1157 684 K 4.2107 8.3398 119.1961 57.0713 32.7855 175.0340 685 Y 4.7704 7.9464 114.3492 56.0309 41.3070 174.0150 686 K 4.2894 8.2347 119.7614 54.8841 34.5651 175.9202 687 P 3.7783 0.0000 0.0000 61.8714 28.4428 175.3260 688 M 4.5385 8.1262 126.9649 55.7003 33.2127 175.4823 689 M 5.7312 8.9939 120.9593 53.8023 37.2770 174.2021 690 I 4.7105 8.9435 121.3856 59.6704 40.6339 174.5265 691 I 4.9933 8.8272 128.7974 59.8461 39.3479 175.0435 692 T 5.2778 8.6651 116.6638 59.0379 72.7606 172.9492 693 E 4.4011 8.5213 120.1643 56.6750 30.1303 176.2217 694 Y 4.4863 8.6634 124.0815 57.8055 40.1670 174.7516 695 M 4.2383 7.9246 125.9245 53.1409 33.0060 176.0252 696 E 3.3520 8.2241 124.1550 59.1070 29.7055 178.3343 697 N 4.3185 7.6241 112.8760 52.3322 39.4993 177.4171 698 G 3.6662 7.5486 106.9756 45.9274 0.0000 173.2421 699 A 4.6200 8.2095 122.2318 51.8150 20.5616 178.3665 700 L 4.0947 8.5206 124.6497 58.2082 41.8486 179.3904 701 D 4.4251 8.1452 118.7739 56.3460 39.4092 178.3629 702 K 4.0772 8.0499 120.5047 58.9341 32.2699 178.1946 703 F 4.4447 8.4387 121.0305 61.7636 39.1056 177.2751 704 L 4.0552 8.1421 116.8962 57.7004 41.4001 179.4762 705 R 4.2667 7.5311 117.6238 59.2332 30.1254 178.5687 706 E 4.1851 8.1008 116.9525 57.8344 29.7633 177.5110 707 K 4.4765 7.3430 119.2645 55.2069 33.0053 175.4545 708 D 3.8728 8.0844 118.2911 55.6153 41.3359 175.8992 709 G 3.4090 5.6441 112.7551 46.2502 0.0000 173.4674 710 E 4.2466 7.5987 116.6270 55.6233 29.8596 175.8080 711 F 5.3469 7.9107 117.9653 55.2270 41.9778 176.2062 712 S 4.4453 9.2739 119.0276 58.2269 64.9813 175.7521 713 V 3.6430 8.4404 122.1997 66.0449 31.0627 178.1934 714 L 4.0035 7.8660 119.8463 58.1080 42.1977 178.6378 715 Q 3.9509 8.1621 118.0870 58.8001 28.6018 178.8327 716 L 3.8803 7.8865 120.0779 57.7492 41.6891 179.7018 717 V 3.7282 7.8607 118.3859 65.8181 31.4587 178.3245 718 G 3.6642 8.4351 105.8282 47.9412 0.0000 175.6303 719 M 4.0872 7.8440 120.7138 58.3356 31.8809 178.8036 720 L 4.2224 7.9057 119.3379 57.4682 41.7357 179.6374 721 R 4.1375 8.2863 116.6299 58.9245 29.5038 178.9666 722 G 3.6028 8.1630 106.5123 47.7095 0.0000 175.2629 723 I 3.7135 7.8897 122.8182 63.9899 37.2335 178.1132 724 A 3.6392 8.4312 121.0144 55.0847 18.1291 179.1330 725 A 4.0176 8.3926 119.7270 55.6174 18.3601 180.0486 726 G 3.4796 8.0036 103.7432 48.3487 0.0000 175.7682 727 M 3.7082 7.9382 120.9483 57.3714 31.6717 178.8541 728 K 3.9448 8.0511 120.6680 59.3844 32.3969 178.1531 729 Y 3.9402 8.2028 120.2151 60.7029 38.6487 178.0388 730 L 3.6110 7.9876 119.6509 57.8557 41.6435 179.5814 731 A 4.0372 7.9704 120.4200 55.0140 18.0208 179.5168 732 N 4.3271 7.8989 114.6235 56.6216 38.6702 177.0885 733 M 4.2397 7.4647 115.5220 55.1783 31.6437 176.1141 734 N 4.1839 7.4724 114.6078 54.2125 36.9064 173.1198 735 Y 4.3848 8.1911 120.0001 56.0604 39.2812 175.1886 736 V 4.1881 7.6938 127.9516 61.4840 31.7455 174.8008 737 H 4.1952 9.2816 128.5261 58.6458 29.8627 177.7021 738 R 4.5659 8.8523 115.7988 56.6362 29.4786 175.7779 739 D 4.9008 7.8262 115.9499 53.2204 41.5694 174.9720 740 L 4.0368 8.2439 119.7637 54.4670 43.2266 175.1518 741 A 4.6576 7.9853 125.7204 51.1955 21.8957 176.8332 742 A 4.0930 9.2465 123.6726 55.1134 18.5841 180.4978 743 R 4.2720 7.8843 110.2871 57.9697 29.8420 176.7648 744 N 4.9248 8.2355 116.3385 52.9600 40.0924 173.8985 745 I 4.9490 7.6956 119.7727 59.5333 40.3072 174.8398 746 L 5.1925 8.7052 125.5637 53.0067 45.3535 175.5514 747 V 4.8948 8.3118 120.0172 61.2071 35.4100 174.1025 748 N 5.1054 8.2378 123.0015 50.6002 40.2952 175.2382 749 S 4.1006 8.7316 114.1878 61.9910 62.7613 175.6177 750 N 4.5962 8.0061 113.8430 53.0480 38.4335 175.4563 751 L 3.7044 8.2918 117.5731 54.8089 39.9438 174.5111 752 V 3.7233 7.4593 119.8483 63.2355 32.5564 174.3051 753 C 5.1845 8.5970 125.1970 58.0534 30.1388 173.2154 754 K 4.7055 8.9059 122.9881 54.2179 35.6196 175.7871 755 V 3.9383 8.7066 125.3436 63.2409 32.6200 174.9263 756 S 4.5900 8.0754 122.3619 57.2640 65.6998 172.1935 757 D 4.1873 8.4165 115.7887 54.7276 38.2704 171.4366 758 F 4.7692 8.3743 117.7505 55.0723 40.9921 176.0076 759 G 4.1451 9.3613 112.6559 46.5646 0.0000 171.9202 760 L 3.4563 8.1722 123.8967 56.5018 41.0814 176.5680 *778 K 4.2404 7.8328 121.8412 55.8807 33.7400 175.6209 779 I 4.1795 7.5899 119.6747 59.3089 37.5892 173.7601 780 P 4.5841 0.0000 0.0000 62.2672 32.5079 177.2307 781 I 3.7569 8.6858 122.1483 64.7114 37.0699 177.8670 782 R 4.0669 8.0049 112.6948 56.5864 29.5965 176.5639 783 W 4.6831 8.3262 117.4484 57.1191 29.6458 175.5735 784 T 4.7111 7.7072 115.5518 61.0521 70.5741 174.6138 785 A 2.5800 7.9913 127.4076 50.5079 20.1274 176.6142 786 P 3.8232 0.0000 0.0000 66.0734 31.0132 178.7586 787 E 3.9849 7.8332 116.6397 59.0290 29.5390 178.7063 788 A 3.6836 7.6192 121.2224 54.5387 17.9448 179.6178 789 I 3.5821 7.0916 117.8875 64.5825 37.3889 178.4486 790 S 4.0769 7.8442 113.7705 60.7589 62.4278 175.0017 791 Y 4.5417 7.9241 117.6317 56.2497 38.0955 176.0413 792 R 4.8141 7.8257 116.6756 56.0406 27.8739 176.9395 793 K 4.2848 7.2368 120.7303 55.1678 30.7496 174.1830 794 F 4.3862 8.6788 122.6969 56.2634 39.5674 175.1595 795 T 4.8817 8.0452 116.0065 59.3965 71.7438 174.4216 796 S 4.3836 8.6586 115.4576 61.6363 62.6297 176.3000 797 A 4.0849 8.0668 123.5071 54.6023 18.0543 179.4527 798 S 4.1011 8.0533 111.6085 61.8669 62.4164 176.0182 799 D 4.7182 8.1594 121.1904 57.1159 40.5620 178.9546 800 V 3.3591 7.6671 119.2340 65.3573 31.3243 177.6036 801 W 4.8111 8.1205 129.2481 60.2551 30.5158 178.0233 802 S 4.7791 8.4212 116.1342 61.3165 62.2875 176.5356 803 F 4.3925 9.0817 123.6666 61.1841 39.1143 177.4062 804 G 3.2560 8.2678 105.5801 47.7270 0.0000 175.7298 805 I 3.9336 7.9271 122.2857 64.2066 37.0691 178.6650 806 V 3.9156 8.2070 119.1727 66.2854 31.2045 177.9444 807 M 3.8449 7.8440 118.5930 58.1318 31.7612 178.5810 808 W 4.0516 8.2350 128.4355 60.2339 30.7889 177.9339 809 E 3.9881 8.6740 119.0362 59.4416 28.9844 179.5550 810 V 3.4571 8.1035 118.5547 66.2995 31.4418 177.9635 811 M 4.0417 8.0762 117.1922 57.2427 31.7588 177.6745 812 T 4.1827 7.1169 108.6215 60.1774 69.8576 174.1714 813 Y 3.4153 8.5802 117.3408 59.6571 35.9865 171.8052 814 G 4.0026 8.4759 103.7249 45.4452 0.0000 173.5771 815 E 4.1095 7.3854 119.8377 55.4509 30.2632 176.5525 816 R 4.2293 9.3501 125.7660 55.1289 30.3478 174.2750 817 P 2.9700 0.0000 0.0000 64.0272 31.6155 175.7269 818 Y 2.6654 6.2346 118.2235 57.3529 36.1894 170.5689 819 W 3.5831 6.6185 121.9472 58.5950 28.9737 175.1033 820 E 4.6118 9.1357 126.3609 57.2010 28.8230 176.1235 821 L 4.2043 8.1038 119.9887 54.8298 42.2951 177.9068 822 S 4.5389 8.6589 117.2110 57.7719 65.5040 175.1586 823 N 4.1677 8.6898 119.9366 56.7859 38.0967 177.1224 824 H 4.0412 8.1091 118.9841 59.2382 30.1699 176.5876 825 E 3.8623 7.8704 120.1390 59.7029 29.3978 179.5198 826 V 3.3171 7.8552 118.2329 66.3505 31.3404 177.9793 827 M 3.9350 7.8635 116.4936 57.9178 31.1911 178.2772 828 K 3.7754 8.2383 120.8778 59.1828 32.4684 178.3841 829 A 4.2062 8.4070 121.1685 55.4439 18.2385 179.4701 830 I 4.0087 7.5534 119.3571 64.2712 37.0498 178.5807 831 N 4.4526 8.2188 115.6923 55.9222 38.3761 176.4209 832 D 4.6967 7.9205 117.9696 54.2378 40.7817 176.7268 833 G 3.7836 7.8074 107.5239 45.8881 0.0000 173.4417 834 F 5.1612 8.0598 117.3731 55.4094 41.3387 175.0415 835 R 4.6679 8.4646 122.0371 53.6527 33.9515 175.0935 836 L 3.6448 7.3290 119.0256 54.0917 41.8136 175.8755 837 P 4.7352 0.0000 0.0000 62.1062 32.4072 175.8478 838 T 3.7009 7.9200 113.8493 61.0191 67.7699 172.3990 839 P 4.2527 0.0000 0.0000 62.1880 32.0477 175.4148 840 M 3.7916 8.5167 120.2468 57.6773 32.2350 175.6192 841 D 4.3985 8.7201 124.0658 55.3049 38.8702 172.8940 842 C 4.3018 7.6324 120.0268 57.9890 32.2692 171.1640 843 P 4.6660 0.0000 0.0000 63.1858 32.8690 177.2345 844 S 4.1958 9.0532 115.6694 61.5806 62.3337 176.7345 845 A 4.0581 7.9524 123.0741 54.9604 18.2420 179.6207 846 I 3.6667 7.6773 118.0440 64.5692 37.3682 177.7056 847 Y 4.1862 8.0753 120.3550 60.9577 38.5670 178.2859 848 Q 3.7650 8.1469 118.9057 58.7681 28.8309 178.3513 849 L 4.0945 8.2021 122.9751 57.6827 42.1439 178.9933 850 M 3.3993 7.4804 116.8247 58.2053 30.8715 178.5266 851 M 3.7270 6.9880 118.7174 57.9234 31.8061 178.4254 852 Q 4.0164 7.9440 118.8396 58.9887 28.8051 178.3280 853 C 4.2359 7.7483 117.3844 61.2566 27.7780 174.7643 854 W 4.2546 6.7457 119.3337 55.1484 30.1279 176.1673 855 Q 4.2292 7.2523 117.5454 55.7691 28.7809 176.4698 856 Q 4.2346 9.0869 124.1546 58.7477 29.5923 176.4565 857 E 4.4548 8.0921 116.9081 54.8358 30.7202 177.2613 858 R 4.0144 8.6416 120.6428 58.6503 30.0182 178.6171 859 A 4.0647 7.9563 120.6219 54.6806 18.5414 178.4265 860 R 4.2001 7.7298 113.7388 58.0100 30.6531 177.6212 861 R 4.2041 7.3632 116.5601 55.3357 30.5852 174.8453 862 P 4.3599 0.0000 0.0000 62.5592 32.3508 176.8623 863 K 4.2272 8.4849 119.7881 55.5360 34.4004 178.4368 864 F 4.0029 8.5059 118.9313 60.7276 38.6435 177.8907 865 A 4.0390 8.0621 119.9469 54.9373 18.0960 179.3060 866 D 4.2745 8.0198 117.2772 57.4970 40.9927 178.6399 867 I 3.6217 7.4673 120.0572 64.3868 37.1319 178.2931 868 V 3.5811 7.8743 119.0551 66.4086 31.3085 177.9895 869 S 4.0999 7.8431 112.3752 61.5445 62.3442 176.2107 870 I 3.7827 8.1454 122.8530 64.2424 36.7391 178.3811 871 L 4.1338 8.0804 119.9273 57.5539 41.3834 179.1722 872 D 4.3445 8.3119 119.2462 56.9252 40.6741 178.5230 873 K 3.8963 8.1436 120.1973 59.6159 31.7168 178.8045 874 L 4.0751 7.6726 120.0274 57.3963 41.3042 179.7056 875 I 3.8006 7.7843 118.8784 64.3294 37.1270 178.2199 876 R 4.1089 8.3319 118.8532 57.6222 31.4453 176.4655 877 A 4.7247 7.9279 121.9570 49.2647 18.5793 174.7226 878 P 4.5372 0.0000 0.0000 63.9473 31.9741 177.5735 879 D 4.4705 8.1016 117.3496 56.3041 40.4620 178.0701 880 S 4.1888 8.2500 115.5700 61.3304 62.4738 175.6990 881 L 4.4079 7.6918 119.5052 55.0374 41.7109 177.8820 882 K 4.1280 7.7239 118.9354 58.9563 32.5023 177.3775 883 T 4.4477 7.7859 116.0457 62.5565 69.8238 174.4993 884 L 5.0712 8.4257 125.6190 53.1597 43.7431 176.3021 885 A 4.3594 8.6400 123.1847 52.1794 19.1437 176.8646 886 D 4.8552 8.5778 118.5712 53.5228 43.7326 176.6926 887 F 4.1944 8.7241 121.8853 58.7735 40.0562 174.5766 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 605 T 8.17 4.24 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 1.16 0.00 0.00 606 T 8.01 4.11 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 607 E 8.98 4.61 0.00 1.97 1.87 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 2.33 2.42 0.00 608 I 8.45 4.67 1.87 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 1.09 1.33 0.96 0.00 0.00 609 H 8.52 4.36 0.00 3.21 3.08 0.00 5.95 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 610 P 0.00 4.13 0.00 1.86 1.90 0.00 2.46 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.72 0.00 611 S 7.89 4.24 0.00 3.95 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 0.00 612 C 8.43 4.23 0.00 3.03 3.26 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 0.00 613 V 6.99 4.66 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.90 0.00 0.00 614 T 8.92 4.44 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 1.22 0.00 0.00 615 R 8.62 4.15 0.00 1.47 1.45 0.00 2.21 0.00 0.00 2.54 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.39 0.00 616 Q 9.15 4.63 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.63 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 617 K 7.81 4.80 0.00 1.79 1.87 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.44 7.81 618 V 8.43 3.75 1.93 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 0.69 0.00 0.00 0.44 0.00 0.00 619 I 9.15 4.56 1.94 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 1.20 0.93 1.01 0.00 0.00 620 G 7.15 4.11 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 0.00 0.00 0.00 621 A 8.30 4.95 1.16 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 0.00 0.00 622 G 8.73 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 0.00 0.00 0.00 0.00 623 E 8.73 3.75 0.00 1.57 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 1.54 2.01 0.00 624 F 9.20 4.83 0.00 3.26 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 0.00 625 G 6.84 4.56 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 0.00 0.00 0.00 626 E 8.03 4.63 0.00 1.86 1.56 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 2.34 2.31 0.00 627 V 8.46 5.05 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 1.16 0.00 0.00 1.02 0.00 0.00 628 Y 8.91 5.24 0.00 2.92 2.83 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 0.00 629 K 9.14 4.56 0.00 1.58 1.53 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.52 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.54 0.57 7.81 630 G 8.35 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 0.00 0.00 0.00 0.00 631 M 8.37 5.29 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.76 0.00 632 L 8.94 4.93 0.00 1.75 1.51 0.91 0.70 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 0.00 633 K 8.85 4.64 0.00 1.68 1.68 0.00 1.85 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.37 7.81 634 T 8.05 3.84 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 1.21 0.00 0.00 *638 K 7.25 4.30 0.00 1.99 1.75 0.00 1.80 0.00 0.00 1.92 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.43 7.81 639 K 7.39 4.62 0.00 1.78 1.85 0.00 1.48 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.44 7.81 640 E 8.80 5.11 0.00 1.98 1.86 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 2.20 2.44 0.00 641 V 8.65 4.67 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 0.74 0.00 0.00 0.95 0.00 0.00 642 P 0.00 4.85 0.00 2.24 2.06 0.00 3.79 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 2.10 2.08 0.00 643 V 8.48 4.92 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 0.73 0.00 0.00 0.97 0.00 0.00 644 A 8.83 5.07 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 0.00 645 I 8.95 4.93 1.99 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 1.25 1.00 0.95 0.00 0.00 646 K 9.32 4.93 0.00 1.88 2.06 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.48 7.81 647 T 8.73 4.99 4.30 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 1.36 0.00 0.00 648 L 7.86 4.47 0.00 0.27 1.09 0.59 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 649 K 8.94 4.22 0.00 1.92 1.98 0.00 1.43 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.48 7.81 650 A 8.70 4.26 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 0.00 651 G 8.67 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 0.00 0.00 0.00 652 Y 7.42 4.47 0.00 3.07 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 0.00 653 T 8.78 4.36 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 1.25 0.00 0.00 654 E 8.58 4.02 0.00 2.15 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 0.00 2.41 2.47 0.00 655 K 8.18 3.89 0.00 1.91 1.88 0.00 1.83 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.60 7.81 656 Q 8.25 4.21 0.00 2.49 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 657 R 8.14 3.60 0.00 1.96 2.15 0.00 3.14 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.20 0.00 658 V 7.97 3.53 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 1.05 0.00 0.00 0.94 0.00 0.00 659 D 8.26 4.36 0.00 2.91 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 0.00 660 F 8.06 3.21 0.00 1.95 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 0.00 661 L 8.27 3.66 0.00 1.67 1.64 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 662 G 8.14 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 0.00 663 E 7.84 3.95 0.00 2.10 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 2.28 2.45 0.00 664 A 7.46 3.98 1.17 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 0.00 0.00 665 G 7.66 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 666 I 7.51 3.75 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.32 0.73 0.00 0.00 667 M 7.97 3.62 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.53 0.00 668 G 7.57 3.60 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 0.00 0.00 0.00 669 Q 7.07 4.00 0.00 1.32 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.55 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 670 F 7.04 5.32 0.00 3.00 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 0.00 671 S 9.07 4.37 0.00 3.76 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 672 H 8.12 4.28 0.00 1.59 2.47 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 673 H 8.58 4.06 0.00 2.93 3.23 0.00 5.95 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 0.00 674 N 8.10 5.05 0.00 2.70 2.91 0.00 0.00 6.88 7.35 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 0.00 675 I 7.60 5.06 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 1.10 0.62 0.95 0.00 0.00 676 I 8.53 3.90 2.06 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 1.15 0.36 0.99 0.00 0.00 677 R 8.81 4.37 0.00 1.91 1.87 0.00 3.08 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 678 L 8.48 4.39 0.00 1.64 1.53 0.97 0.97 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 0.00 679 E 9.40 4.12 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 2.36 2.43 0.00 680 G 7.32 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 0.00 0.00 0.00 681 V 7.91 4.70 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 0.65 0.00 0.00 1.03 0.00 0.00 682 I 8.63 4.84 1.99 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 1.51 1.01 0.96 0.00 0.00 683 S 9.10 4.75 0.00 3.95 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 684 K 8.34 4.21 0.00 1.86 1.63 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.42 7.81 685 Y 7.95 4.77 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 686 K 8.23 4.29 0.00 1.76 1.78 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.57 7.81 687 P 0.00 3.78 0.00 2.11 2.36 0.00 3.96 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 1.96 1.99 0.00 688 M 8.13 4.54 0.00 2.02 1.68 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.65 0.00 689 M 8.99 5.73 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 690 I 8.94 4.71 1.74 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.33 0.80 0.00 0.00 691 I 8.83 4.99 1.94 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 1.42 1.01 0.93 0.00 0.00 692 T 8.67 5.28 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 693 E 8.52 4.40 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 694 Y 8.66 4.49 0.00 2.97 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 0.00 695 M 7.92 4.24 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 696 E 8.22 3.35 0.00 1.82 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 2.31 2.31 0.00 697 N 7.62 4.32 0.00 2.06 1.42 0.00 0.00 7.08 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 698 G 7.55 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 699 A 8.21 4.62 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 0.00 700 L 8.52 4.09 0.00 1.84 1.94 1.02 1.30 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 0.00 701 D 8.15 4.43 0.00 3.03 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 0.00 702 K 8.05 4.08 0.00 1.92 1.91 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.61 1.56 7.81 703 F 8.44 4.44 0.00 3.40 3.38 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 804 G 8.27 3.26 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 0.00 805 I 7.93 3.93 2.15 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.98 0.33 0.00 0.00 806 V 8.21 3.92 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 1.05 0.00 0.00 1.29 0.00 0.00 807 M 7.84 3.84 0.00 1.94 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.86 0.00 808 W 8.24 4.05 0.00 3.64 3.40 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 0.00 809 E 8.67 3.99 0.00 2.38 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 2.61 2.78 0.00 810 V 8.10 3.46 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 0.88 0.00 0.00 0.95 0.00 0.00 811 M 8.08 4.04 0.00 1.89 1.95 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.79 0.00 812 T 7.12 4.18 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 -0.23 0.00 0.00 813 Y 8.58 3.42 0.00 3.04 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 0.00 814 G 8.48 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 0.00 815 E 7.39 4.11 0.00 1.82 1.56 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 2.63 2.59 0.00 816 R 9.35 4.23 0.00 2.00 1.93 0.00 3.31 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 817 P 0.00 2.97 0.00 1.24 0.92 0.00 3.58 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 0.66 1.80 0.00 818 Y 6.23 2.67 0.00 2.92 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 0.00 819 W 6.62 3.58 0.00 3.60 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 0.00 820 E 9.14 4.61 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 821 L 8.10 4.20 0.00 1.84 1.66 1.25 1.19 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 0.00 822 S 8.66 4.54 0.00 4.09 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 0.00 823 N 8.69 4.17 0.00 2.74 2.89 0.00 0.00 6.46 8.16 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 0.00 824 H 8.11 4.04 0.00 3.22 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 825 E 7.87 3.86 0.00 2.22 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 2.40 0.00 826 V 7.86 3.32 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 0.04 0.00 0.00 0.71 0.00 0.00 827 M 7.86 3.94 0.00 2.16 2.18 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.76 0.00 828 K 8.24 3.78 0.00 1.67 1.92 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.46 7.81 829 A 8.41 4.21 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 0.00 830 I 7.55 4.01 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.49 1.00 0.00 0.00 831 N 8.22 4.45 0.00 2.74 2.86 0.00 0.00 7.15 8.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 832 D 7.92 4.70 0.00 3.09 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 0.00 833 G 7.81 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 0.00 834 F 8.06 5.16 0.00 3.28 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 0.00 835 R 8.46 4.67 0.00 1.94 1.88 0.00 3.35 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 836 L 7.33 3.64 0.00 0.68 0.47 -1.25 -1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 837 P 0.00 4.74 0.00 2.25 2.13 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 838 T 7.92 3.70 2.82 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 1.01 0.00 0.00 839 P 0.00 4.25 0.00 2.07 1.59 0.00 3.72 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.68 0.00 840 M 8.52 3.79 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 841 D 8.72 4.40 0.00 2.86 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 0.00 842 C 7.63 4.30 0.00 3.02 2.77 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 0.00 843 P 0.00 4.67 0.00 2.21 2.00 0.00 3.66 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 844 S 9.05 4.20 0.00 4.07 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 845 A 7.95 4.06 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 0.00 846 I 7.68 3.67 2.03 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 1.53 1.25 0.89 0.00 0.00 847 Y 8.08 4.19 0.00 3.01 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 0.00 848 Q 8.15 3.76 0.00 2.14 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 849 L 8.20 4.09 0.00 1.73 1.78 0.90 0.70 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 0.00 850 M 7.48 3.40 0.00 1.62 0.57 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 851 M 6.99 3.73 0.00 1.83 1.96 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.83 0.00 852 Q 7.94 4.02 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 853 C 7.75 4.24 0.00 2.51 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 0.00 854 W 6.75 4.25 0.00 2.99 2.01 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 0.00 855 Q 7.25 4.23 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 856 Q 9.09 4.23 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.86 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 857 E 8.09 4.45 0.00 2.20 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 0.00 2.35 2.31 0.00 858 R 8.64 4.01 0.00 2.04 2.41 0.00 2.96 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 859 A 7.96 4.06 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 0.00 860 R 7.73 4.20 0.00 2.01 1.99 0.00 3.34 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 861 R 7.36 4.20 0.00 1.92 1.84 0.00 3.37 0.00 0.00 3.63 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.65 0.00 862 P 0.00 4.36 0.00 2.06 1.97 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 863 K 8.48 4.23 0.00 1.82 1.76 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.44 7.81 864 F 8.51 4.00 0.00 3.12 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 0.00 865 A 8.06 4.04 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 866 D 8.02 4.27 0.00 2.78 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 0.00 867 I 7.47 3.62 1.92 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.67 0.75 0.00 0.00 868 V 7.87 3.58 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 1.06 0.00 0.00 1.01 0.00 0.00 869 S 7.84 4.10 0.00 3.88 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 0.00 870 I 8.15 3.78 1.99 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 1.00 0.91 0.00 0.00 871 L 8.08 4.13 0.00 2.07 1.74 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 872 D 8.31 4.34 0.00 2.86 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 0.00 873 K 8.14 3.90 0.00 1.83 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 874 L 7.67 4.08 0.00 2.01 1.71 0.93 0.47 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 0.00 875 I 7.78 3.80 1.88 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 1.42 0.54 0.92 0.00 0.00 876 R 8.33 4.11 0.00 2.02 1.96 0.00 3.37 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 877 A 7.93 4.72 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 0.00 878 P 0.00 4.54 0.00 2.18 2.13 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 879 D 8.10 4.47 0.00 2.69 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 0.00 880 S 8.25 4.19 0.00 4.05 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 0.00 881 L 7.69 4.41 0.00 1.77 1.76 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 882 K 7.72 4.13 0.00 1.92 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.42 7.81 883 T 7.79 4.45 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 1.23 0.00 0.00 884 L 8.43 5.07 0.00 1.51 1.58 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 885 A 8.64 4.36 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 0.00 886 D 8.58 4.86 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 887 F 8.72 4.19 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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.