NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 806 D 4.6078 8.2233 120.1933 53.9066 41.8137 176.0402 807 L 4.5935 8.3817 126.4452 56.1208 42.0833 176.5601 808 H 4.5163 9.3529 117.2429 57.7990 30.2674 177.5393 809 T 4.3678 7.9800 116.3240 64.9018 68.9855 174.4952 810 L 4.7260 7.5290 121.8248 53.5821 45.2827 173.7523 811 N 4.9469 9.1913 124.2490 50.8064 40.3463 174.3631 812 W 4.4379 8.8923 135.0000 60.5966 30.8362 177.2889 813 D 4.1173 8.0851 119.1475 57.0685 40.1801 178.5022 814 L 3.8666 7.9432 120.3975 58.0732 42.1785 178.2867 815 C 4.1473 7.9895 118.5912 62.5730 31.2924 175.4945 816 L 3.5264 7.3618 120.6419 57.8541 41.0199 179.6907 817 T 3.7712 7.6058 115.4145 66.7826 68.2527 176.7801 818 Q 4.1041 7.9783 117.8588 57.9748 28.8466 177.8070 819 A 4.6270 7.7946 123.2533 51.1467 19.3528 177.0120 820 N 3.8571 9.0482 114.9830 54.8168 35.5312 178.0737 821 H 3.9223 8.9340 115.1631 58.2047 27.0286 177.1633 822 K 4.3463 7.6926 126.1736 55.3076 31.5310 180.0287 823 S 4.3639 8.4978 120.7049 60.9223 62.5452 175.5665 824 N 4.3909 8.2386 118.5773 56.1917 38.0783 176.9593 825 L 3.9330 7.8796 119.8985 58.1242 42.3992 178.2615 826 A 4.1820 7.7343 119.2294 55.3388 18.5649 179.2335 827 L 4.3450 8.4208 117.4916 57.7788 41.4799 180.3152 828 E 4.2867 8.0078 117.3037 56.3979 29.7899 177.6371 *830 L 4.4647 7.9564 119.0686 54.4458 43.8685 180.0459 831 K 4.1908 8.1039 115.1342 57.0566 31.7232 178.5556 *833 L 4.2040 8.0835 121.8775 55.1468 44.0086 178.3107 834 L 3.9482 8.1524 119.9415 58.5038 41.6768 178.5411 835 D 4.3827 8.0641 116.6025 57.0918 41.4025 177.7979 836 S 4.3846 8.0127 113.7958 60.2952 63.3129 176.3711 837 L 3.9964 7.6429 122.9311 57.4007 41.3543 177.5233 838 P 4.2969 0.0000 0.0000 65.3280 31.2047 178.3209 839 E 3.9003 8.0880 117.6821 59.5716 29.7219 178.4864 840 T 3.8682 7.7978 115.8608 66.8633 68.5602 176.4847 841 V 3.5755 8.1723 120.1397 65.9905 31.4742 177.5553 842 E 3.9229 8.2023 118.9401 59.3355 29.4398 178.9391 843 K 3.9656 8.3945 118.7914 59.5148 32.0520 179.4509 844 I 3.7786 8.0820 122.5487 64.9489 37.0805 179.1211 845 Q 4.0139 8.0687 121.4805 60.5407 28.0019 180.5946 846 T 4.0159 8.1480 118.0603 66.4544 68.5446 176.5519 847 A 4.0153 8.1349 122.6791 55.1728 18.0416 179.4748 848 L 4.0054 8.2374 119.0022 58.3002 41.9997 179.4645 849 G 3.6476 7.9692 104.2368 46.8749 0.0000 174.7134 850 Q 4.3479 7.9610 117.7190 54.3874 29.9665 174.6996 851 N 3.9950 7.5981 117.5432 55.0075 37.6358 175.0135 852 D 4.7507 7.8434 117.4091 52.1756 41.8221 174.9151 853 Q 4.0651 8.7407 127.5271 59.0254 29.6995 177.7354 854 A 4.1576 8.1699 120.2796 55.7195 18.7690 180.3577 855 T 4.1709 8.0426 111.2411 64.0010 67.9785 176.4276 *857 L 4.2636 8.1081 125.5648 55.1450 44.0281 178.8952 858 S 4.1471 8.2111 113.8138 61.7699 62.8909 176.4146 859 T 3.9383 8.0361 116.8268 64.6884 66.9884 176.4441 860 I 3.7205 7.7288 121.4607 64.4943 37.2048 177.5737 861 H 4.4938 8.4658 120.6661 58.7004 29.8382 177.3190 862 K 3.9235 8.0470 120.1917 59.5689 31.8651 179.1187 863 L 4.0098 7.9827 120.5008 58.2364 41.4432 178.4412 864 H 4.2919 8.6415 118.7674 59.1831 29.6034 177.3780 865 G 3.6551 7.9234 106.0882 47.8028 0.0000 175.0915 866 A 4.2779 7.9542 123.1233 54.9773 18.1524 179.8870 867 S 4.1784 8.3241 112.7713 61.7614 62.6624 176.4238 868 C 4.0656 7.6937 118.4078 61.5513 27.8094 174.2982 869 Y 4.7203 7.7250 115.5262 57.6121 38.5620 175.5526 870 C 4.6934 7.7364 116.7546 58.5665 29.1942 174.1567 871 G 4.0476 8.6970 108.2295 47.4080 0.0000 175.1133 872 V 4.7615 6.9694 109.7265 56.8063 32.5330 174.9648 873 P 4.2407 0.0000 0.0000 65.9104 31.6589 178.0829 874 T 3.8836 7.9972 114.3424 66.7364 68.2510 176.8746 875 T 3.8586 7.9150 117.2411 66.7803 68.4800 176.0975 876 Q 4.0102 8.2645 122.8056 58.5332 29.0322 178.1833 877 R 3.8361 8.1427 119.7763 59.5289 30.0780 178.4895 878 L 3.9543 7.9693 118.6124 57.9369 41.5729 179.2422 879 C 4.0434 8.2731 116.9344 62.8701 28.0476 176.0055 880 Q 3.7105 8.0004 121.0842 58.9850 28.6188 177.9080 881 E 3.8894 8.2769 120.3549 59.3075 29.6377 178.8503 882 I 3.6430 7.9978 120.1110 64.3469 37.0902 177.9973 883 E 3.9373 8.5063 120.7446 59.3341 29.5439 178.9828 884 S 4.1266 8.2764 114.1256 61.4364 63.0026 176.3376 885 A 3.9877 8.0069 124.4896 54.7375 18.1573 179.5443 886 L 4.1998 8.0555 119.0241 57.5082 41.5176 180.0296 887 K 4.1107 8.0237 116.9825 58.8530 31.8954 178.2852 888 R 4.5047 7.5846 119.0576 56.4368 30.5815 177.1849 889 Q 3.6214 7.7471 114.5198 55.9686 26.5183 176.4164 890 T 4.1997 7.9031 114.6033 61.6676 67.9867 172.6524 891 P 4.7339 0.0000 0.0000 62.2720 32.6673 177.0813 892 V 3.6215 8.3938 122.2437 67.2154 31.0950 178.9274 893 E 3.9937 8.2001 117.1722 61.4124 29.3085 180.4859 894 D 4.5382 7.7229 118.0086 56.6268 41.5347 177.3658 895 L 4.6623 7.5857 118.3172 53.9071 41.8984 177.7562 896 E 3.8979 7.8351 121.8228 59.1105 29.4284 177.1229 897 P 4.2657 0.0000 0.0000 66.0430 31.2646 178.2829 898 E 3.9967 8.1109 117.9189 59.0542 29.3940 179.2331 899 I 3.7494 8.0348 120.1533 64.3104 37.0739 178.4824 900 L 4.0037 7.9994 119.9140 57.7318 41.3665 179.2491 901 E 3.9364 8.1889 118.6377 59.2844 29.3536 179.1783 902 L 3.9231 8.1366 120.3146 58.2835 41.8029 179.0019 903 L 3.9884 8.0491 118.8776 57.8334 41.2383 179.2368 904 D 4.3770 8.3613 119.0222 57.5206 40.8469 178.5610 905 E 4.0402 8.3839 119.7542 59.2828 29.5174 178.8597 906 L 4.0760 8.1948 119.2100 57.9112 41.5488 179.5398 907 T 4.1547 7.5890 116.7436 65.9715 68.3488 176.8563 908 K 3.9884 7.7550 119.1649 59.3493 32.0019 179.5558 909 V 3.6044 8.1572 118.8935 66.0286 30.9463 177.7483 910 E 3.9543 8.3725 118.4924 59.7056 29.2036 179.4701 911 S 4.1259 7.9676 112.4531 61.1210 62.4096 176.1151 912 A 3.9787 8.1548 123.5631 55.2593 18.1292 180.0491 913 V 3.5828 8.1351 111.3722 64.5014 31.5935 178.8316 914 K 3.8832 7.8997 117.7680 59.5449 31.8072 179.1781 915 Q 3.8762 7.8584 119.7576 59.1345 29.0193 178.3004 916 V 3.3816 7.6719 119.3135 65.9362 31.4280 178.0189 917 L 3.8639 8.1732 119.1082 57.6313 41.1771 179.5970 918 S 4.1370 7.8735 116.7607 62.4637 62.9132 177.1739 919 Q 4.0975 7.9905 121.8232 59.3787 27.8265 179.3507 920 L 4.6655 7.4487 118.5307 55.6478 43.4705 176.7212 921 S 4.2608 8.4724 117.6978 58.4487 63.1078 173.7722 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 806 D 8.22 4.61 0.00 2.71 2.66 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 0.00 0.00 0.00 807 L 8.38 4.59 0.00 1.64 1.65 0.91 0.97 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 0.00 808 H 9.35 4.52 0.00 3.32 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 809 T 7.98 4.37 4.46 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 1.27 0.00 0.00 810 L 7.53 4.73 0.00 1.70 1.48 1.10 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 811 N 9.19 4.95 0.00 2.93 2.65 0.00 0.00 6.50 8.47 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 0.00 812 W 8.89 4.44 0.00 3.39 3.09 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 0.00 813 D 8.09 4.12 0.00 2.89 2.66 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 0.00 0.00 0.00 814 L 7.94 3.87 0.00 1.75 1.76 0.88 0.84 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 0.00 815 C 7.99 4.15 0.00 3.06 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 0.00 816 L 7.36 3.53 0.00 1.43 1.37 0.64 0.56 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 0.00 817 T 7.61 3.77 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 1.14 0.00 0.00 818 Q 7.98 4.10 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.23 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 819 A 7.79 4.63 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 0.00 820 N 9.05 3.86 0.00 2.84 2.74 0.00 0.00 6.93 7.44 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 0.00 821 H 8.93 3.92 0.00 3.14 3.40 0.00 5.61 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 822 K 7.69 4.35 0.00 1.78 1.74 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.30 7.81 823 S 8.50 4.36 0.00 4.00 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 0.00 824 N 8.24 4.39 0.00 2.84 2.89 0.00 0.00 6.71 6.74 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 0.00 825 L 7.88 3.93 0.00 1.65 1.88 0.90 0.97 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 0.00 826 A 7.73 4.18 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 0.00 827 L 8.42 4.34 0.00 2.00 1.80 0.97 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 828 E 8.01 4.29 0.00 1.98 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 *830 L 7.96 4.46 0.00 2.02 1.81 1.19 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 831 K 8.10 4.19 0.00 2.01 1.83 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 *833 L 8.08 4.20 0.00 1.79 1.90 0.95 0.54 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 0.00 834 L 8.15 3.95 0.00 1.87 1.82 0.93 1.39 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 0.00 835 D 8.06 4.38 0.00 2.83 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 0.00 836 S 8.01 4.38 0.00 4.10 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 0.00 837 L 7.64 4.00 0.00 1.89 1.91 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 838 P 0.00 4.30 0.00 2.16 2.10 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 839 E 8.09 3.90 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 840 T 7.80 3.87 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 1.22 0.00 0.00 841 V 8.17 3.58 2.14 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 1.00 0.00 0.00 0.99 0.00 0.00 842 E 8.20 3.92 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.50 0.00 843 K 8.39 3.97 0.00 1.98 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.61 7.81 844 I 8.08 3.78 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 1.39 0.73 0.91 0.00 0.00 845 Q 8.07 4.01 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 846 T 8.15 4.02 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 1.25 0.00 0.00 847 A 8.13 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 848 L 8.24 4.01 0.00 1.89 1.86 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 849 G 7.97 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 Q 7.96 4.35 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 851 N 7.60 3.99 0.00 2.79 2.83 0.00 0.00 6.86 8.19 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 0.00 852 D 7.84 4.75 0.00 2.64 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 0.00 853 Q 8.74 4.07 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 854 A 8.17 4.16 1.31 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 0.00 0.00 0.00 0.00 0.00 855 T 8.04 4.17 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 1.22 0.00 0.00 *857 L 8.11 4.26 0.00 1.83 1.93 0.94 0.86 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 0.00 858 S 8.21 4.15 0.00 4.12 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 0.00 859 T 8.04 3.94 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 1.31 0.00 0.00 860 I 7.73 3.72 1.90 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 1.54 0.81 0.92 0.00 0.00 861 H 8.47 4.49 0.00 3.30 3.51 0.00 5.64 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 0.00 862 K 8.05 3.92 0.00 2.03 1.87 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.51 7.81 863 L 7.98 4.01 0.00 1.79 1.84 0.94 1.01 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 0.00 864 H 8.64 4.29 0.00 3.32 3.41 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 G 7.92 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 866 A 7.95 4.28 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 867 S 8.32 4.18 0.00 4.07 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 0.00 868 C 7.69 4.07 0.00 2.84 2.34 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 0.00 869 Y 7.73 4.72 0.00 2.97 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 0.00 870 C 7.74 4.69 0.00 2.96 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 871 G 8.70 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 0.00 872 V 6.97 4.76 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 1.27 0.00 0.00 0.98 0.00 0.00 873 P 0.00 4.24 0.00 2.31 2.12 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.19 0.00 874 T 8.00 3.88 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 875 T 7.91 3.86 4.41 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 1.22 0.00 0.00 876 Q 8.26 4.01 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 877 R 8.14 3.84 0.00 2.02 2.03 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 878 L 7.97 3.95 0.00 1.72 1.68 0.94 0.80 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 0.00 879 C 8.27 4.04 0.00 3.02 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 0.00 880 Q 8.00 3.71 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 881 E 8.28 3.89 0.00 2.12 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 2.29 2.34 0.00 882 I 8.00 3.64 1.86 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 1.40 0.56 0.91 0.00 0.00 883 E 8.51 3.94 0.00 2.09 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 2.38 0.00 884 S 8.28 4.13 0.00 4.09 4.12 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 0.00 885 A 8.01 3.99 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 0.00 886 L 8.06 4.20 0.00 1.85 1.74 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 887 K 8.02 4.11 0.00 1.97 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 888 R 7.58 4.50 0.00 1.96 1.93 0.00 3.29 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 889 Q 7.75 3.62 0.00 2.26 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 890 T 7.90 4.20 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 1.26 0.00 0.00 891 P 0.00 4.73 0.00 2.33 2.16 0.00 3.52 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 892 V 8.39 3.62 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 0.97 0.00 0.00 0.95 0.00 0.00 893 E 8.20 3.99 0.00 2.01 1.96 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 2.32 1.95 0.00 894 D 7.72 4.54 0.00 2.59 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 0.00 895 L 7.59 4.66 0.00 1.88 1.67 0.92 0.58 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 0.00 896 E 7.84 3.90 0.00 2.07 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 2.32 2.50 0.00 897 P 0.00 4.27 0.00 2.30 2.29 0.00 3.81 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 2.07 2.05 0.00 898 E 8.11 4.00 0.00 2.20 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 2.39 2.45 0.00 899 I 8.03 3.75 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 1.52 0.68 0.91 0.00 0.00 900 L 8.00 4.00 0.00 1.70 1.71 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 901 E 8.19 3.94 0.00 2.19 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 2.33 2.57 0.00 902 L 8.14 3.92 0.00 1.74 1.89 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 903 L 8.05 3.99 0.00 1.89 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 904 D 8.36 4.38 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 905 E 8.38 4.04 0.00 2.16 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 0.00 2.31 2.41 0.00 906 L 8.19 4.08 0.00 1.87 1.71 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 907 T 7.59 4.15 4.35 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 1.21 0.00 0.00 908 K 7.76 3.99 0.00 2.04 1.87 0.00 1.87 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 909 V 8.16 3.60 2.23 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 1.14 0.00 0.00 0.96 0.00 0.00 910 E 8.37 3.95 0.00 2.21 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 2.34 2.43 0.00 911 S 7.97 4.13 0.00 3.86 3.99 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 0.00 0.00 0.00 912 A 8.15 3.98 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 0.00 913 V 8.14 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 0.85 0.00 0.00 1.03 0.00 0.00 914 K 7.90 3.88 0.00 2.05 1.85 0.00 1.72 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 915 Q 7.86 3.88 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 916 V 7.67 3.38 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.86 0.00 0.00 917 L 8.17 3.86 0.00 1.79 1.64 0.91 0.76 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 0.00 918 S 7.87 4.14 0.00 4.00 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 0.00 919 Q 7.99 4.10 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 920 L 7.45 4.67 0.00 1.29 1.52 -0.26 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 921 S 8.47 4.26 0.00 3.90 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 * Residues marked with a * may have inaccurate shift predictions.