NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 681 I 4.0996 8.1245 118.5517 59.7364 37.3736 176.7086 682 Q 3.3388 7.4318 112.6171 59.1515 28.7545 180.4601 683 L 4.2795 8.4198 120.1158 54.4783 43.8536 176.6757 684 I 4.2080 8.1061 124.0817 59.5932 38.4789 174.6813 685 P 4.3405 0.0000 0.0000 62.2300 33.0064 175.5775 686 P 4.2521 0.0000 0.0000 65.9511 31.2801 178.8006 687 L 4.0110 7.8819 118.3289 58.2272 42.0402 178.9438 688 I 3.7737 7.6866 119.4230 64.2892 37.1547 177.7443 689 N 4.3743 8.2609 118.0633 56.3594 38.8553 176.7531 690 L 4.0572 8.2012 123.6629 57.5863 41.9990 178.8248 691 L 4.0864 7.9584 117.8785 58.1886 42.0147 178.9338 692 M 4.2415 8.2454 118.2516 58.6634 32.3282 178.4393 693 S 4.3015 8.3835 114.5264 60.5270 62.9006 175.3642 694 I 4.4756 7.2090 114.0428 59.5907 37.9830 175.5205 695 E 4.1050 7.6760 121.4090 55.8111 29.7118 175.3185 696 P 4.4601 0.0000 0.0000 62.6639 31.8847 175.7627 697 D 4.5971 8.3667 119.4314 53.6290 41.5158 176.5028 698 V 3.5562 8.2823 120.1942 63.6488 31.7266 175.1325 699 I 4.4891 8.1644 127.2712 59.7755 38.9732 174.7393 700 Y 4.5645 8.5293 122.4843 56.7194 39.3561 175.6192 701 A 4.1932 9.3109 125.7572 52.8617 19.1226 178.6656 702 G 3.8632 8.8840 103.7866 46.6662 0.0000 172.8246 703 H 4.4054 8.3614 118.5345 54.7851 30.6394 174.4939 704 D 4.5241 8.0269 126.1540 53.3018 40.0934 175.8324 705 N 4.8298 8.5460 122.9261 53.9411 38.7445 176.2087 706 T 4.3138 8.0071 108.2186 61.6287 69.5574 174.7419 707 K 4.6461 7.1699 120.4060 53.6493 34.6846 174.3268 708 P 4.3494 0.0000 0.0000 62.6899 31.8585 176.3853 709 D 4.6385 8.4394 121.6938 54.7092 41.6904 176.4520 710 T 4.7310 8.2199 111.2128 59.0734 73.3650 174.9285 711 S 4.1448 8.7339 116.9409 61.8246 62.3738 176.7003 712 S 4.0872 8.0296 115.2735 61.5023 62.3584 176.0233 713 S 4.2558 8.4834 117.4157 61.5965 62.6063 176.4824 714 L 4.0180 8.0935 122.5274 57.4324 41.4039 179.4058 715 L 3.9601 8.0146 118.9608 57.9168 41.5509 179.6411 716 T 3.8750 8.4223 116.1515 66.8624 68.3775 176.9565 717 S 4.1887 8.2085 117.0089 61.4552 62.7547 176.7733 718 L 3.8685 7.9336 121.7806 57.8434 41.3421 179.3339 719 N 4.3043 8.1729 116.4995 56.1186 38.5495 177.3970 720 Q 3.9243 8.1452 121.1095 59.1070 29.1529 177.9342 721 L 4.1069 8.4061 122.0185 57.9626 42.1017 179.1006 722 G 3.6058 8.6470 106.1459 47.8599 0.0000 175.2753 723 E 3.8618 8.1877 122.0511 58.8652 29.6527 179.0950 724 R 3.9276 7.8817 117.6802 59.4792 30.0848 179.1058 725 Q 4.0521 8.3614 117.9912 58.6167 28.6611 178.5565 726 L 3.9338 8.0219 121.4348 58.3058 42.1986 179.0801 727 L 4.0293 7.8255 118.7540 57.8796 41.4082 179.5559 728 S 4.1867 8.0479 113.1576 61.2275 62.2306 176.4181 729 V 3.7179 8.1661 121.5231 65.9114 31.0813 178.1790 730 V 3.6401 7.7769 116.9830 65.8651 31.6510 177.5619 731 K 4.1065 8.2167 119.3223 59.2533 32.0754 178.2958 732 W 4.2791 8.5521 129.1142 60.7445 30.6205 177.9219 733 S 3.0990 8.3374 114.0788 61.1770 61.8729 176.5913 734 K 4.1781 7.7606 120.3772 58.3389 31.8180 177.7345 735 S 4.4952 7.5000 113.1429 57.8517 63.6702 173.7240 736 L 3.9535 7.3331 124.6843 53.2345 41.6410 174.2162 737 P 4.4443 0.0000 0.0000 64.7214 31.9312 175.4854 738 G 4.1667 9.1125 111.0671 45.8663 0.0000 175.3801 739 F 4.1386 8.5413 121.7404 61.3934 39.3974 177.4327 740 R 3.9817 7.9619 116.8588 58.2521 29.9836 177.1784 741 N 4.4526 7.4712 114.8814 55.1684 39.2729 175.2980 742 L 4.1711 7.2339 117.6878 54.1897 42.5657 176.7790 743 H 3.9903 8.4931 120.6314 56.7452 31.5060 176.2674 744 I 3.5806 8.1408 126.3193 64.4840 37.7344 177.9352 745 D 4.3956 8.2425 119.2874 57.2739 40.6761 178.2451 746 D 4.2612 7.8809 119.1033 57.1376 40.8816 178.4918 747 Q 3.7242 7.9349 118.5598 58.9859 28.6380 179.0455 748 I 3.7332 7.7053 120.5639 64.7217 37.1335 178.5739 749 T 3.6929 7.8164 116.4068 66.6230 68.3162 176.6484 750 L 4.0060 8.2488 121.1507 57.8362 41.6744 179.7503 751 I 3.9093 7.9769 119.7552 64.5191 36.8771 178.3423 752 Q 4.4133 8.2148 117.9281 59.6360 28.7138 178.5962 753 Y 4.5082 8.2689 116.3040 59.7682 37.9722 177.0726 754 S 4.7041 7.9712 112.7144 57.3340 64.0812 175.7073 755 W 4.4007 8.3541 121.6812 60.2718 27.5482 177.8436 756 M 3.8073 6.7791 118.5138 58.1905 31.6300 178.1815 757 S 4.0865 7.7853 113.9234 61.4116 63.1393 176.2227 758 L 4.0041 8.2553 122.9346 57.7949 41.3411 179.4890 759 M 4.1801 8.4563 119.0120 58.4627 32.0027 179.2975 760 V 3.7132 8.2201 119.4923 64.5157 31.5771 178.3095 761 F 4.3971 8.6750 121.8843 61.1937 39.2137 177.4553 762 G 3.8338 8.6619 105.7080 47.6355 0.0000 175.3962 763 L 4.0416 8.3445 122.9764 57.9881 42.0809 179.3641 764 G 3.4145 8.1344 105.6344 47.3378 0.0000 175.5214 765 W 4.1769 8.2015 130.7001 60.3735 30.6412 178.3280 766 R 3.4700 8.1485 118.1589 59.1501 29.4229 179.2562 767 S 4.0643 8.0551 114.9127 61.6987 62.6407 176.1957 768 Y 4.1485 7.9574 122.1750 60.5023 38.3229 177.9213 769 K 2.9734 7.3076 119.6079 59.3058 32.2575 177.9983 770 H 4.4688 7.6306 114.9606 56.7693 29.4246 175.9716 771 V 4.4485 7.1181 113.8198 62.2483 32.6195 175.6132 772 S 3.7764 9.2809 110.8778 59.3245 60.5726 173.2209 773 G 4.0742 8.3440 105.2263 46.7427 0.0000 175.5241 774 Q 4.6236 8.5915 118.7286 57.0050 29.1976 175.1791 775 M 4.1840 7.4066 113.4651 53.9180 34.5395 174.3755 776 L 3.8865 8.0448 119.9821 54.0641 42.6252 175.9427 777 Y 4.5327 8.5281 129.0228 56.1091 36.8006 175.9559 778 F 4.1768 8.3627 121.5685 59.8087 39.8583 175.2774 779 A 4.6011 7.7106 120.4305 50.3841 22.2061 175.1973 780 P 3.8202 0.0000 0.0000 64.3170 31.3979 177.4991 781 D 4.8891 7.9068 115.1131 52.7672 39.9005 176.9433 782 L 4.5922 7.8169 123.4841 54.1261 43.5968 172.4260 783 I 4.9322 7.8866 121.9555 58.7617 40.2806 174.4373 784 L 4.6651 8.8121 127.6496 52.9077 43.8944 176.6146 785 N 4.7360 8.4228 122.2927 51.3378 39.4422 175.3810 786 E 3.8308 8.7981 117.5646 59.7593 28.9087 178.3444 787 Q 3.8693 8.0620 118.7189 59.3380 28.9075 178.2078 788 R 3.8455 8.2517 118.5817 59.3783 30.3408 178.2062 789 M 4.0807 8.0003 118.6888 58.4250 31.8488 178.8033 790 K 3.1222 7.7439 116.9111 58.2350 32.0440 177.6499 791 E 4.5614 7.1941 115.9599 55.9305 29.8786 177.1340 792 S 3.9418 7.5651 116.9035 59.4797 63.2064 175.3248 793 S 4.6595 8.6272 113.7052 57.7629 61.3872 168.8607 794 F 5.4611 7.2390 115.2434 54.4502 37.8709 175.8238 795 Y 4.3198 8.1077 123.4259 61.8026 39.1612 176.5127 796 S 3.8772 8.1365 113.6877 61.1805 62.5940 175.6877 797 L 3.8426 7.7734 122.5851 58.1595 41.6945 178.5806 798 C 4.2322 7.9072 116.2350 62.9331 27.8941 176.0880 799 L 4.2086 7.5342 119.2558 57.9921 41.3922 179.5864 800 T 4.0123 7.7838 115.2739 67.0878 68.3660 176.8072 801 M 4.1141 8.1978 120.4867 58.0100 32.0567 178.5924 802 W 4.3578 8.5592 128.5095 60.1237 30.7570 177.8650 803 Q 3.9284 8.0088 118.4770 58.9404 27.9810 178.8467 804 I 3.3258 7.4054 120.7475 63.8970 37.1505 176.6569 805 P 3.9368 0.0000 0.0000 65.6502 31.2904 178.6802 806 Q 3.9214 7.8774 116.4164 58.8996 28.4772 178.5463 807 E 3.9276 7.9206 120.3872 59.1408 29.5672 178.7969 808 F 4.2354 8.0256 118.2067 60.3318 38.5601 177.8393 809 V 3.6612 7.6188 117.1200 65.9639 31.4800 177.8866 810 K 4.0938 7.6271 116.5338 59.5317 32.0430 178.9436 811 L 4.1414 8.0842 117.0876 54.7072 42.7136 176.6977 812 Q 3.6584 8.0460 116.7541 55.4328 26.5631 174.5370 813 V 3.8045 7.3103 116.1388 63.2064 32.6430 175.9284 814 S 4.8280 9.0729 122.1658 57.4782 65.7960 175.2290 815 Q 3.6484 8.7697 123.0059 59.3895 28.5756 178.3863 816 E 3.9993 8.1497 119.1990 59.3487 29.4925 179.0168 817 E 3.9657 8.2624 118.6773 59.2043 29.4597 178.9508 818 F 3.9984 8.1627 120.8541 61.3482 39.1068 177.0875 819 L 3.4668 7.6583 118.2691 57.9566 41.4171 179.4743 820 C 4.2055 7.7202 116.3963 63.0277 28.0802 176.0226 821 M 3.9387 8.1969 120.6225 58.1710 31.4639 178.7268 822 K 3.5747 7.9451 120.0194 59.2812 32.0576 179.0648 823 V 3.6578 7.1723 117.6173 65.9936 31.8030 177.6987 824 L 4.1473 7.8143 118.6686 57.6947 41.5153 179.5142 825 L 3.9229 7.7099 119.1074 57.6828 41.3062 179.2691 826 L 4.2359 7.6124 120.0937 56.5792 41.9542 177.9595 827 L 5.0600 7.4547 116.9384 54.5284 42.8998 176.4230 828 N 4.8209 8.1390 116.8092 54.0318 39.5590 174.2634 829 T 5.2630 7.8038 113.4655 62.7288 72.5125 172.9773 830 I 4.8715 8.6883 118.4852 58.1758 41.8827 172.9247 831 P 4.7403 0.0000 0.0000 62.5238 31.9199 177.7410 832 L 3.9449 8.7342 122.2002 57.9842 41.6193 178.2719 833 E 4.1629 8.1509 113.2686 55.8482 29.9187 177.2545 834 G 3.6982 8.0898 109.5007 45.1335 0.0000 172.6942 835 L 4.5525 8.6391 118.8811 52.7476 43.8677 177.5509 836 R 3.9632 8.8463 119.1585 59.2902 30.5530 179.3960 837 S 4.7532 8.6206 115.4961 57.4593 60.7890 175.3231 838 Q 4.0069 7.7584 126.1571 59.8522 29.3881 177.2649 839 T 4.0553 7.9054 116.0003 66.8715 68.5502 176.4815 840 Q 4.0242 8.0948 119.4239 58.8853 28.7004 178.5120 841 F 4.1530 8.6601 122.0211 61.4214 39.3772 177.0824 842 E 3.7730 8.6788 118.4633 59.4166 29.2230 179.2434 843 E 3.9513 8.2556 118.7487 59.2710 29.5622 179.0503 844 M 4.0007 7.9527 118.5265 58.5056 32.3357 178.2856 845 R 3.8500 7.8419 119.0179 59.6447 30.3439 178.6735 846 S 4.1996 8.3075 115.2266 61.6651 62.7350 177.0194 847 S 4.0327 7.9513 118.0160 61.7567 62.5146 176.2367 848 Y 4.0913 7.8425 118.5744 60.4951 37.6754 178.3510 849 I 3.9208 7.8486 121.4263 64.4915 37.3137 178.5502 850 R 3.9480 7.9712 118.7995 59.1652 29.7622 178.7629 851 E 3.9461 8.2685 119.2692 59.0652 29.5706 178.5420 852 L 3.9896 8.3129 120.6760 58.2684 42.1116 179.0785 853 I 3.8027 7.7175 119.3374 64.2228 36.7668 178.5839 854 K 3.9661 7.7790 118.1615 59.2732 32.3241 178.7478 855 A 4.1815 8.2394 121.2563 55.4937 18.2210 179.8219 856 I 3.9729 8.1051 118.3752 64.4286 37.0207 178.7406 857 G 3.7526 8.3213 105.3458 46.4121 0.0000 175.4109 858 L 4.1562 7.5454 120.6677 57.7290 41.8717 178.2145 859 R 4.2729 7.9299 114.2826 56.1941 31.3258 175.9590 860 Q 4.3113 8.3003 119.9392 54.3268 28.4972 173.9948 861 K 4.4799 9.9605 125.3828 55.2499 33.4098 174.9604 862 G 3.7635 8.4511 111.0225 43.8737 0.0000 173.9200 863 V 3.7413 8.1115 125.4108 64.6862 31.5912 178.4634 864 V 3.7912 7.6521 117.8057 65.7038 31.6020 178.0295 865 S 4.1726 7.9455 114.7188 61.5344 62.8944 176.5625 866 S 4.1739 8.2034 117.0617 61.5083 62.7924 176.5379 867 S 4.2406 7.7995 115.4176 61.1784 62.1786 175.9258 868 Q 4.0730 8.2009 122.3882 59.2395 28.7180 178.1988 869 R 4.1577 8.3587 119.9086 59.1576 30.0441 178.2387 870 F 4.0268 8.3384 120.7612 61.2731 39.3521 176.4279 871 Y 4.0152 8.1278 118.6834 60.7687 38.6239 177.9766 872 Q 3.8543 8.1723 118.8050 59.0734 28.9511 179.0594 873 L 3.9195 7.9646 120.2209 58.0097 41.6285 179.7808 874 T 3.2902 7.4253 109.6773 64.0704 68.5641 176.7437 875 K 3.7854 7.9372 123.1351 59.0049 31.8626 178.4414 876 L 3.9189 7.5040 119.8850 58.1888 42.3986 178.7085 877 L 4.0685 7.5660 118.3188 57.8908 41.3948 179.1635 878 D 4.5147 8.3213 118.8955 57.5911 40.8335 178.6273 879 N 4.4343 8.3883 116.4443 55.7245 38.4505 177.2957 880 L 4.1647 7.7104 120.1375 57.3981 41.1212 178.8665 881 H 4.1246 7.7854 116.8102 59.0469 28.4374 177.4110 882 D 4.3822 7.9782 118.6603 57.2710 41.1974 178.0551 883 L 4.7254 7.4839 120.7948 57.7240 42.0914 179.1248 884 V 3.5733 8.2489 118.8967 65.8312 31.4331 178.1497 885 K 4.2336 7.8265 117.3101 59.8223 32.4600 179.2871 886 Q 4.0312 7.8980 119.2658 58.9243 28.6086 178.6217 887 L 4.0700 7.7592 119.5061 58.1856 41.7355 179.1715 888 H 4.2221 8.2928 116.2197 58.5319 28.5067 177.6790 889 L 3.9927 8.1733 122.4160 58.3326 41.8431 178.3970 890 Y 3.7686 8.2148 119.5462 60.6028 38.6923 177.5393 891 C 4.2108 8.4661 119.8085 62.3922 31.6977 175.3116 892 L 4.0359 8.0988 121.8360 58.4784 41.7609 178.7822 893 N 4.4364 8.3803 116.4314 56.4926 38.1330 177.6355 894 T 3.8532 7.8067 116.7769 66.2558 68.7809 176.3484 895 F 4.3058 8.2456 122.6272 61.4454 39.0030 177.0255 896 I 3.5416 8.2345 119.8472 64.7486 36.7583 178.4071 897 Q 4.0724 7.9692 117.1108 58.2109 28.4917 178.4112 898 S 4.2638 7.6803 115.1234 59.7442 63.8318 175.5937 899 R 4.4516 7.4063 120.9962 55.7421 29.1830 177.3281 *909 M 4.6249 8.7452 129.5267 57.1981 33.4243 178.2826 910 S 4.2589 8.1051 119.6816 63.4714 62.2956 178.6029 911 E 4.4836 8.2296 121.4729 61.9131 29.9201 184.6777 912 V 3.8787 7.6291 119.9833 65.9866 31.7055 180.4870 913 I 4.0161 8.1790 120.4323 64.0953 36.6756 178.4354 914 A 4.0214 7.4560 119.5342 54.8764 18.3126 178.9798 915 A 4.1651 7.7637 116.8677 53.9382 18.9714 178.7410 916 Q 4.2965 7.4927 115.3934 57.1751 29.4475 177.6859 917 L 3.9887 7.6490 120.4303 57.4107 41.5336 177.5797 918 P 4.3380 0.0000 0.0000 64.8535 31.1630 177.3574 919 K 4.1767 8.1323 117.4638 56.4950 32.7070 176.7427 920 I 4.3643 7.4909 110.2619 60.4870 39.6707 175.6506 921 L 4.4082 8.2187 120.6250 53.2025 41.8483 176.2674 922 A 4.1684 8.2413 124.4201 52.6672 19.4289 178.3591 923 G 3.8454 8.5900 105.8698 46.4978 0.0000 174.4490 924 M 4.3529 7.3499 119.4288 55.5302 33.2623 175.6400 925 V 4.4252 7.2371 109.5179 59.7635 36.7706 174.4800 926 K 4.3694 8.9564 122.9138 54.2619 33.3974 173.4605 927 P 4.6920 0.0000 0.0000 62.4146 32.2800 176.8936 928 L 4.4327 8.9759 124.9217 53.2116 41.4557 176.0441 929 L 4.4623 8.0782 123.4806 54.2049 42.5971 177.7377 930 F 4.2988 9.5321 121.5942 59.2894 39.4004 175.9235 931 H 5.1142 8.5072 118.4930 53.9852 32.2394 174.2191 932 K 4.2465 8.7913 122.2456 55.0381 31.5363 177.2004 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 681 I 8.12 4.10 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 0.91 0.00 0.00 682 Q 7.43 3.34 0.00 2.15 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.01 0.00 683 L 8.42 4.28 0.00 1.64 1.64 0.93 0.82 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 0.00 684 I 8.11 4.21 1.89 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 1.44 0.51 0.93 0.00 0.00 685 P 0.00 4.34 0.00 2.25 1.98 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 686 P 0.00 4.25 0.00 2.15 2.11 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 687 L 7.88 4.01 0.00 1.71 1.87 0.96 0.72 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 0.00 688 I 7.69 3.77 2.04 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 1.56 1.00 0.93 0.00 0.00 689 N 8.26 4.37 0.00 2.87 2.96 0.00 0.00 6.83 5.98 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 0.00 690 L 8.20 4.06 0.00 1.83 1.89 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 691 L 7.96 4.09 0.00 1.90 1.81 1.07 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 692 M 8.25 4.24 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 693 S 8.38 4.30 0.00 4.14 4.15 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 0.00 694 I 7.21 4.48 1.98 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.97 0.95 0.00 0.00 695 E 7.68 4.10 0.00 2.22 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 696 P 0.00 4.46 0.00 2.21 2.13 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 697 D 8.37 4.60 0.00 2.75 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 0.00 698 V 8.28 3.56 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 0.38 0.00 0.00 0.93 0.00 0.00 699 I 8.16 4.49 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.06 0.96 0.00 0.00 700 Y 8.53 4.56 0.00 2.99 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 0.00 701 A 9.31 4.19 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 702 G 8.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 703 H 8.36 4.41 0.00 3.10 3.41 0.00 5.92 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0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.65 7.81 811 L 8.08 4.14 0.00 1.61 1.72 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 812 Q 8.05 3.66 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 813 V 7.31 3.80 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 0.68 0.00 0.00 0.74 0.00 0.00 814 S 9.07 4.83 0.00 4.29 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 0.00 815 Q 8.77 3.65 0.00 2.43 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 816 E 8.15 4.00 0.00 2.12 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 2.43 2.48 0.00 817 E 8.26 3.97 0.00 2.18 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 2.34 0.00 818 F 8.16 4.00 0.00 2.20 2.41 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 0.00 819 L 7.66 3.47 0.00 1.67 1.64 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 820 C 7.72 4.21 0.00 3.08 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 0.00 821 M 8.20 3.94 0.00 1.97 2.34 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.45 0.00 822 K 7.95 3.57 0.00 1.30 1.54 0.00 1.28 0.00 0.00 1.49 0.00 0.00 2.65 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.95 1.22 7.81 823 V 7.17 3.66 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 -0.27 0.00 0.00 0.80 0.00 0.00 824 L 7.81 4.15 0.00 1.90 1.87 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 825 L 7.71 3.92 0.00 1.71 1.57 0.08 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 826 L 7.61 4.24 0.00 1.79 1.98 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 827 L 7.45 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4.31 0.00 2.29 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 861 K 9.96 4.48 0.00 1.77 1.74 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.36 7.81 862 G 8.45 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 0.00 0.00 0.00 863 V 8.11 3.74 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 1.15 0.00 0.00 0.93 0.00 0.00 864 V 7.65 3.79 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 1.02 0.00 0.00 0.93 0.00 0.00 865 S 7.95 4.17 0.00 3.92 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 0.00 866 S 8.20 4.17 0.00 4.09 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 867 S 7.80 4.24 0.00 4.10 4.10 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 0.00 0.00 0.00 0.00 868 Q 8.20 4.07 0.00 2.31 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 869 R 8.36 4.16 0.00 1.98 1.98 0.00 3.19 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 870 F 8.34 4.03 0.00 3.23 3.29 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 0.00 871 Y 8.13 4.02 0.00 3.24 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 0.00 872 Q 8.17 3.85 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.86 0.00 873 L 7.96 3.92 0.00 1.42 1.56 0.90 0.95 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 0.00 874 T 7.43 3.29 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 -0.68 0.00 0.00 875 K 7.94 3.79 0.00 0.97 1.57 0.00 1.44 0.00 0.00 1.28 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.18 1.34 7.81 876 L 7.50 3.92 0.00 1.83 1.94 1.14 1.28 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 0.00 877 L 7.57 4.07 0.00 1.88 1.72 0.72 0.87 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 0.00 878 D 8.32 4.51 0.00 2.94 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 0.00 879 N 8.39 4.43 0.00 2.89 2.86 0.00 0.00 7.04 6.36 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 0.00 880 L 7.71 4.16 0.00 1.77 1.66 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 881 H 7.79 4.12 0.00 3.13 3.31 0.00 5.62 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 0.00 882 D 7.98 4.38 0.00 2.65 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 0.00 883 L 7.48 4.73 0.00 1.75 1.80 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 884 V 8.25 3.57 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 885 K 7.83 4.23 0.00 2.06 2.17 0.00 1.36 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.63 1.65 7.81 886 Q 7.90 4.03 0.00 2.44 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 887 L 7.76 4.07 0.00 1.71 1.67 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 888 H 8.29 4.22 0.00 3.22 3.33 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 889 L 8.17 3.99 0.00 1.80 1.91 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 890 Y 8.21 3.77 0.00 3.26 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 0.00 891 C 8.47 4.21 0.00 3.28 3.21 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 0.00 892 L 8.10 4.04 0.00 1.86 1.86 1.02 0.59 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 0.00 893 N 8.38 4.44 0.00 2.52 2.68 0.00 0.00 7.10 7.01 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 0.00 894 T 7.81 3.85 4.48 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 1.26 0.00 0.00 895 F 8.25 4.31 0.00 3.16 3.33 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 0.00 896 I 8.23 3.54 2.00 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 1.60 1.22 0.88 0.00 0.00 897 Q 7.97 4.07 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 898 S 7.68 4.26 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 0.00 899 R 7.41 4.45 0.00 1.51 0.93 0.00 3.25 0.00 0.00 3.09 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.10 0.00 *909 M 8.75 4.62 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 910 S 8.11 4.26 0.00 3.73 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 0.00 911 E 8.23 4.48 0.00 1.97 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 2.29 1.93 0.00 912 V 7.63 3.88 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 913 I 8.18 4.02 1.90 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 1.52 1.39 0.93 0.00 0.00 914 A 7.46 4.02 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 0.00 915 A 7.76 4.17 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 916 Q 7.49 4.30 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00 917 L 7.65 3.99 0.00 1.65 1.73 0.92 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 918 P 0.00 4.34 0.00 2.15 2.15 0.00 3.60 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 919 K 8.13 4.18 0.00 1.73 1.39 0.00 1.62 0.00 0.00 1.31 0.00 0.00 3.18 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.17 1.32 7.81 920 I 7.49 4.36 1.88 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 0.65 0.98 0.00 0.00 921 L 8.22 4.41 0.00 1.80 1.59 0.91 0.94 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 0.00 922 A 8.24 4.17 1.23 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 0.00 0.00 923 G 8.59 3.85 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 0.00 0.00 0.00 924 M 7.35 4.35 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 925 V 7.24 4.43 1.75 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 0.20 0.00 0.00 0.66 0.00 0.00 926 K 8.96 4.37 0.00 1.72 1.81 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.34 7.81 927 P 0.00 4.69 0.00 1.70 1.36 0.00 3.62 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 1.88 1.96 0.00 928 L 8.98 4.43 0.00 1.49 1.52 1.22 1.21 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 0.00 929 L 8.08 4.46 0.00 1.61 1.75 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 930 F 9.53 4.30 0.00 2.71 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 0.00 931 H 8.51 5.11 0.00 3.21 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 932 K 8.79 4.25 0.00 1.77 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.