NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 824 P 4.3750 0.0000 0.0000 62.4283 33.4688 176.8036 825 N 4.5441 7.9249 115.6505 51.8379 39.2987 171.4418 826 E 4.1477 9.4594 122.0347 56.8444 30.9886 176.8192 827 D 4.6383 8.2822 119.2016 54.9086 41.7052 177.0661 828 W 5.0970 7.6443 117.3568 54.1652 32.3995 174.6845 829 C 3.9809 8.6833 120.9104 60.0759 31.2755 175.0341 830 A 4.1062 8.3236 129.6992 54.4667 18.2595 178.7589 831 V 4.1380 7.8802 115.1229 65.0957 30.7533 176.5510 832 C 4.4186 8.0341 112.3192 57.6413 30.3493 174.0111 833 Q 3.9421 8.2262 118.2858 57.1037 26.5749 172.7715 834 N 4.4310 7.4353 112.4387 51.1391 42.0810 175.1406 835 G 4.3128 7.9584 108.9326 43.9947 0.0000 171.3537 836 G 3.8144 8.5539 104.8728 44.4362 0.0000 174.0863 837 E 4.1813 8.8699 124.5860 56.0483 29.2524 175.6941 838 L 5.0644 8.2181 123.7610 52.6060 44.7850 176.1409 839 L 4.3683 9.2549 126.0191 54.8584 43.3523 174.9664 840 C 5.1336 8.6683 123.6564 58.3848 29.8799 172.9454 841 C 4.8070 8.7181 124.7929 59.2358 31.4029 173.7511 842 E 4.2211 9.1657 125.4406 58.4785 29.3368 177.9548 843 K 4.4342 7.9837 115.9218 56.4120 33.3902 175.1166 844 C 4.9436 7.6069 111.7466 55.7436 32.9490 172.1668 845 P 4.5966 0.0000 0.0000 64.4297 31.3851 177.0861 846 K 4.3499 7.9733 118.0031 56.7824 33.2540 176.2903 847 V 4.9002 7.7786 114.3528 59.9417 36.3421 174.4749 848 F 5.1866 9.0641 120.3819 56.1935 43.8563 174.1708 849 H 4.6787 8.8788 118.1634 55.3699 29.8956 176.5738 850 L 3.5783 8.4911 120.5245 57.6220 41.4939 179.1344 851 S 4.5155 7.6673 108.9123 57.7090 63.5648 174.2823 852 C 4.1727 7.5436 118.6663 61.7754 28.6138 173.9121 853 H 3.9601 7.8581 117.8729 55.6458 30.0172 174.3618 854 V 4.0461 6.9072 122.4649 60.1169 33.1729 173.7098 855 P 4.5155 0.0000 0.0000 61.8424 32.7544 175.9049 856 T 4.0276 8.1010 115.5447 63.5234 68.8735 173.9999 857 L 4.6940 7.8025 126.2322 53.7566 43.2442 177.2151 858 T 4.0189 8.6426 119.5554 65.9023 68.6915 174.8125 859 N 5.0355 8.5234 115.9440 50.7493 42.4952 174.1012 860 F 3.9723 8.5272 118.5403 56.5142 39.6129 174.1684 861 P 4.4552 0.0000 0.0000 62.6988 31.7843 176.9283 862 S 4.4366 8.8250 116.7550 60.3891 64.3404 174.6105 863 G 4.1882 7.5640 111.4115 44.5162 0.0000 172.5585 864 E 4.2899 8.9720 124.2936 56.2776 30.1939 176.1561 865 W 5.1601 8.9533 132.7624 55.6509 34.7064 173.6879 866 I 4.5464 7.2961 125.5230 59.0700 39.7645 175.3265 867 C 3.2875 7.8018 121.3489 57.4019 30.3651 174.6467 868 T 3.8223 8.0957 116.5558 66.5728 67.8001 176.6433 869 F 4.4963 7.6126 118.8274 60.6766 39.1535 176.8123 870 C 4.3314 7.9875 114.4289 60.8382 28.7553 174.5279 871 R 3.9915 7.5346 120.5658 55.8804 30.4736 175.6219 872 D 4.4505 9.0733 124.8330 54.2224 41.8918 177.2719 873 L 4.1082 8.5058 126.4208 58.0690 42.1409 178.8739 874 S 4.2825 8.2141 113.3025 60.9865 63.0100 175.0586 875 K 4.4646 8.3088 120.9102 52.6357 31.6682 172.7857 876 P 4.3658 0.0000 0.0000 62.0268 31.6856 178.3933 877 E 4.0769 8.7262 122.2243 58.6667 29.7262 177.2768 878 V 4.4890 6.8608 106.5264 59.3475 36.0236 174.0414 879 E 4.4114 8.3623 121.7673 54.5010 31.5736 174.6968 880 Y 5.0685 7.9324 123.2325 57.0326 39.1967 176.1984 881 D 4.4259 9.0418 123.4404 56.6471 39.4068 178.6331 882 C 4.1768 8.1624 113.2215 60.3411 29.7980 173.8080 883 D 4.6288 8.0929 118.3999 53.9559 41.1943 176.6559 884 A 4.6648 7.7039 122.4437 50.8782 19.0547 177.5442 885 P 4.3716 0.0000 0.0000 62.5224 31.4716 176.2077 *891 K 4.1406 8.4406 118.5490 56.0424 33.6486 176.0975 892 K 4.3007 7.8275 119.2882 55.6054 32.9354 176.0037 893 K 4.1035 8.5706 126.3048 56.3785 32.2857 176.9012 894 T 4.0216 8.5159 121.7422 63.6703 68.7736 174.2013 895 E 4.3429 8.7864 126.2337 56.1723 30.7133 175.7545 896 G 4.0719 8.6531 106.7009 45.9731 0.0000 173.3921 897 L 4.5092 7.7884 119.3204 53.1168 44.9456 174.7582 898 V 4.2135 8.4781 126.0496 61.3531 32.4138 174.8711 899 K 4.7917 8.2795 125.6167 53.9675 35.2364 175.8880 900 L 4.2804 8.3448 120.4480 54.8491 42.3689 178.2097 901 T 4.2295 8.3186 112.2006 61.0793 70.9513 173.9123 902 P 4.3156 0.0000 0.0000 65.6643 31.3120 179.0646 903 I 3.7223 7.7560 118.3116 64.6560 37.1006 178.0802 904 D 4.5984 8.2041 119.3577 57.1170 40.6562 178.7473 905 K 4.0275 8.2846 120.4645 59.5960 32.2276 179.1804 906 R 4.2780 8.1514 119.7676 58.4730 29.8419 179.2126 907 K 3.9950 8.2160 118.6158 59.6289 31.9999 178.9797 908 C 3.8382 8.1042 118.9512 62.2662 30.8849 175.4524 909 E 3.9590 8.1816 120.4049 59.2274 28.9796 179.3398 910 R 3.8522 8.0769 118.7536 59.3413 30.2297 178.3409 911 L 4.2000 8.2903 119.0784 58.0303 41.5750 179.6034 912 L 4.4208 8.4936 118.8755 58.0077 41.6515 179.3793 913 L 4.0844 8.2161 120.2479 58.1198 41.6843 178.9279 914 F 4.6366 8.8247 117.3682 60.9021 39.3318 177.3797 915 L 4.5715 8.5671 118.5917 58.2061 41.3691 179.0673 916 Y 4.2205 8.7665 117.0947 61.4310 37.6375 178.3633 917 C 4.6158 8.6528 116.0155 61.0667 29.1791 173.8654 918 H 4.2180 7.8794 121.1240 55.8356 29.9553 176.0287 919 E 4.1023 8.6107 125.3918 59.2560 29.4341 177.6288 920 M 4.5539 8.2086 116.1783 55.1781 32.6063 177.0188 921 S 4.5547 8.2280 114.9627 60.4377 63.8766 176.0659 922 L 3.8422 8.4804 123.3972 58.2590 41.5810 178.7828 923 A 3.7716 7.7673 118.4440 53.9251 18.4586 177.6734 924 F 4.8024 7.9530 113.6253 57.3522 40.0999 177.6381 925 Q 3.7568 8.0959 122.2386 58.3168 28.7083 175.8426 926 D 5.2972 7.5284 114.3331 51.1263 43.9104 174.0191 927 P 4.3978 0.0000 0.0000 62.5808 31.7831 176.9473 928 V 3.4069 8.1216 121.7475 62.0045 32.0410 174.1327 929 P 4.3533 0.0000 0.0000 62.8322 31.7115 177.4648 930 L 4.2886 8.4959 121.6529 57.8042 41.7064 178.4850 931 T 4.0120 7.7829 106.9076 62.7901 69.2901 174.5290 932 V 3.7618 7.8040 124.0472 61.6414 31.2623 173.2780 933 P 4.3550 0.0000 0.0000 64.5510 31.6343 176.0687 934 D 4.4801 9.2009 120.2263 54.9579 39.4112 174.6364 935 Y 3.3820 8.0000 121.4831 60.9957 38.5197 177.6337 936 Y 4.3984 7.9427 112.7626 58.6953 38.1010 176.2832 937 K 4.3424 7.9349 119.9694 57.5938 33.2421 178.0258 938 I 3.9420 7.6850 118.2737 63.2325 37.7281 176.2251 939 I 3.9393 7.3576 124.5001 60.1227 36.2252 175.9130 940 K 4.2434 8.4773 125.9908 57.9159 32.7527 177.5408 941 N 5.0094 7.6419 115.5121 50.2675 38.3406 172.1080 942 P 4.5372 0.0000 0.0000 63.2576 32.5888 176.3339 943 M 4.6052 8.1252 116.4595 53.9216 34.8427 173.6365 944 D 4.7243 8.0270 123.1090 51.0567 43.8893 176.3224 945 L 3.8562 8.6917 120.4120 57.8715 41.4369 180.1216 946 S 4.4728 8.3254 115.6516 61.2140 62.8724 176.8115 947 T 3.9037 8.5955 119.8537 66.4740 68.1558 176.8372 948 I 3.8969 7.4827 122.9638 63.5368 37.1479 178.2439 949 K 3.9243 8.2940 120.7056 59.4602 31.9040 178.6762 950 K 3.9117 8.1407 119.6216 59.7391 31.9625 178.9309 951 R 3.7793 7.8352 116.9134 59.0697 29.9221 178.5436 952 L 4.2880 7.9742 119.5265 58.0838 42.2924 178.2260 953 Q 4.2339 7.7623 116.3535 56.1813 29.3854 175.5156 954 E 4.1211 7.3512 120.5442 56.2172 30.0160 176.5985 955 D 4.2939 8.4157 123.4423 54.4029 40.1185 175.0373 956 Y 3.7146 8.1037 115.4776 58.8943 35.1514 170.2785 957 S 4.2147 8.1290 112.6468 58.6638 63.0776 173.3806 958 M 4.1059 8.1006 122.1980 57.3646 32.2275 175.6351 959 Y 4.8775 7.8760 118.1085 57.0855 38.6552 175.9207 960 S 4.8562 9.4660 119.6713 58.1750 65.0818 174.0890 961 K 4.6619 7.8280 118.8218 53.6309 35.4404 174.6921 962 P 2.9700 0.0000 0.0000 65.7235 31.0379 178.6772 963 E 3.7423 7.7815 116.3755 59.1888 29.3651 179.1563 964 D 4.3053 7.8477 119.4364 57.3403 40.9899 178.6889 965 F 3.7346 7.1534 114.4320 59.2602 37.9969 177.6626 966 V 4.0761 7.4655 118.8990 66.0111 31.4031 177.7816 967 A 4.0348 8.0368 120.5521 55.2953 17.9345 179.4160 968 D 4.2957 7.4841 115.3947 57.3250 41.0957 178.6281 969 F 3.8654 8.1309 118.2940 60.6410 38.9035 178.0676 970 R 4.1714 8.2332 117.3600 58.8343 29.6858 178.8849 971 L 4.3475 7.5790 121.7573 57.3810 42.0087 178.9122 972 I 3.5421 7.1295 119.5970 64.4951 37.0023 178.4702 973 F 4.3495 7.0302 117.8704 60.5540 38.6560 177.7400 974 Q 4.0970 8.3733 117.9419 58.9463 28.5088 178.4660 975 N 4.3759 8.5429 117.9502 56.2652 38.6014 176.8880 976 C 4.4282 8.2480 119.8977 62.7542 31.5089 175.5518 977 A 4.1016 8.0330 120.7619 55.1900 18.0096 179.2472 978 E 4.0743 8.1653 116.1449 59.5332 29.6842 179.0613 979 F 4.2125 8.1585 119.2281 60.2507 40.0388 175.6366 980 N 4.5477 7.8315 114.7224 52.2111 39.4543 174.9785 981 E 3.9933 8.5268 120.9823 55.8687 30.1992 175.0973 982 P 4.3723 0.0000 0.0000 64.2622 31.8481 175.4297 983 D 4.6389 9.0524 118.6080 54.0728 39.9306 174.1220 984 S 4.5324 7.7475 112.7972 57.1790 65.3590 174.6912 985 E 3.9666 8.6763 121.6094 59.8716 29.1292 179.9818 986 V 3.6677 7.8325 117.2480 65.9274 31.6892 177.6915 987 A 4.1315 7.8742 120.4920 55.3981 17.9021 179.4337 988 N 4.3766 8.7274 115.1867 56.2061 38.5188 177.5709 989 A 4.2717 8.4420 122.5776 55.0554 18.4817 179.8250 990 G 3.4594 8.7185 104.6072 48.1357 0.0000 175.9895 991 I 3.6489 7.8221 122.5005 63.7494 37.1133 178.7463 992 K 3.9255 8.1787 119.3903 59.4877 31.9241 179.1939 993 L 3.8274 7.9777 120.6662 57.9523 41.9116 178.6329 994 E 2.5400 7.6960 119.3609 58.7597 29.4736 178.5762 995 N 4.2836 8.0727 116.5737 56.2114 38.5100 176.8451 996 Y 4.0972 7.9253 120.9393 60.6061 38.9024 177.6489 997 F 3.9900 8.3420 121.6199 61.5452 39.5735 176.9289 998 E 3.7031 8.2721 117.9864 59.3162 29.0328 179.3364 999 E 3.8280 7.8233 118.2091 59.1745 29.5020 179.2846 1000 L 3.5438 7.4908 119.0325 57.6004 41.5135 179.5022 1001 L 3.8355 7.5925 119.2181 57.7564 41.2449 179.8266 1002 K 3.9698 7.5549 117.2697 59.2637 31.9564 178.8792 1003 N 4.4199 7.4268 116.4182 56.0207 38.6079 177.0715 1004 L 4.0745 7.7456 119.1374 55.9619 43.2144 176.8859 1005 Y 4.7264 7.8702 115.4633 55.5956 38.2160 173.6101 1006 P 4.4725 0.0000 0.0000 62.9616 31.4751 177.2079 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 824 P 0.00 4.37 0.00 2.20 2.26 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 825 N 7.92 4.54 0.00 2.84 2.96 0.00 0.00 6.95 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 E 9.46 4.15 0.00 1.89 1.84 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 2.31 2.41 0.00 827 D 8.28 4.64 0.00 2.26 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 828 W 7.64 5.10 0.00 3.32 2.78 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 0.00 829 C 8.68 3.98 0.00 3.00 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 0.00 830 A 8.32 4.11 1.10 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 0.00 0.00 831 V 7.88 4.14 2.24 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 1.03 0.00 0.00 1.24 0.00 0.00 832 C 8.03 4.42 0.00 3.14 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 833 Q 8.23 3.94 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 834 N 7.44 4.43 0.00 2.63 2.51 0.00 0.00 6.90 7.46 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 0.00 835 G 7.96 4.31 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 0.00 836 G 8.55 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 837 E 8.87 4.18 0.00 2.16 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 2.29 2.19 0.00 838 L 8.22 5.06 0.00 1.51 1.55 1.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 839 L 9.25 4.37 0.00 1.46 0.87 -0.77 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 840 C 8.67 5.13 0.00 3.02 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 0.00 841 C 8.72 4.81 0.00 3.24 3.15 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 0.00 842 E 9.17 4.22 0.00 2.13 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 2.53 2.49 0.00 843 K 7.98 4.43 0.00 1.73 1.85 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 844 C 7.61 4.94 0.00 3.05 2.92 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 0.00 845 P 0.00 4.60 0.00 2.20 2.13 0.00 3.62 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 846 K 7.97 4.35 0.00 1.87 1.35 0.00 2.17 0.00 0.00 2.00 0.00 0.00 2.63 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.53 1.56 7.81 847 V 7.78 4.90 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 0.91 0.00 0.00 0.91 0.00 0.00 848 F 9.06 5.19 0.00 2.81 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 0.00 849 H 8.88 4.68 0.00 3.16 3.19 0.00 5.82 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 L 8.49 3.58 0.00 1.42 1.57 0.28 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 851 S 7.67 4.52 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 852 C 7.54 4.17 0.00 3.23 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 0.00 853 H 7.86 3.96 0.00 2.77 2.95 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 854 V 6.91 4.05 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 0.89 0.00 0.00 0.73 0.00 0.00 855 P 0.00 4.52 0.00 2.22 2.19 0.00 3.87 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.25 0.00 856 T 8.10 4.03 4.16 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 1.15 0.00 0.00 857 L 7.80 4.69 0.00 1.26 1.45 0.57 0.58 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 0.00 858 T 8.64 4.02 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 1.17 0.00 0.00 859 N 8.52 5.04 0.00 2.56 2.69 0.00 0.00 7.12 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 0.00 860 F 8.53 3.97 0.00 3.00 2.91 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 0.00 861 P 0.00 4.46 0.00 2.12 2.14 0.00 3.59 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.88 0.00 862 S 8.83 4.44 0.00 4.01 4.03 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 0.00 863 G 7.56 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 0.00 0.00 0.00 864 E 8.97 4.29 0.00 1.93 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 2.37 2.36 0.00 865 W 8.95 5.16 0.00 3.41 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 0.00 866 I 7.30 4.55 1.62 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 1.31 0.69 0.79 0.00 0.00 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0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.31 7.81 876 P 0.00 4.37 0.00 2.20 2.04 0.00 3.90 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 1.98 1.86 0.00 877 E 8.73 4.08 0.00 1.89 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 2.28 2.35 0.00 878 V 6.86 4.49 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 0.72 0.00 0.00 0.80 0.00 0.00 879 E 8.36 4.41 0.00 1.91 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 0.00 2.28 2.24 0.00 880 Y 7.93 5.07 0.00 3.26 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 0.00 881 D 9.04 4.43 0.00 2.91 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 882 C 8.16 4.18 0.00 3.11 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 0.00 883 D 8.09 4.63 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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0.80 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 914 F 8.82 4.64 0.00 3.54 3.35 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 0.00 915 L 8.57 4.57 0.00 2.14 1.96 1.29 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 916 Y 8.77 4.22 0.00 3.45 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 917 C 8.65 4.62 0.00 3.32 3.22 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 0.00 0.00 0.00 0.00 918 H 7.88 4.22 0.00 3.38 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 919 E 8.61 4.10 0.00 1.99 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 2.33 2.27 0.00 920 M 8.21 4.55 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.58 0.00 921 S 8.23 4.55 0.00 4.11 4.45 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 0.00 0.00 0.00 0.00 0.00 0.00 947 T 8.60 3.90 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 948 I 7.48 3.90 1.77 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.29 0.61 0.00 0.00 949 K 8.29 3.92 0.00 2.08 2.09 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.47 7.81 950 K 8.14 3.91 0.00 1.87 1.93 0.00 1.68 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.46 7.81 951 R 7.84 3.78 0.00 1.75 1.28 0.00 3.18 0.00 0.00 2.87 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 952 L 7.97 4.29 0.00 1.97 1.98 1.07 0.67 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 0.00 953 Q 7.76 4.23 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 954 E 7.35 4.12 0.00 2.02 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 2.32 2.50 0.00 955 D 8.42 4.29 0.00 2.04 2.40 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 0.00 956 Y 8.10 3.71 0.00 3.18 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 0.00 957 S 8.13 4.21 0.00 4.05 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 958 M 8.10 4.11 0.00 1.52 1.87 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 959 Y 7.88 4.88 0.00 3.23 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 0.00 960 S 9.47 4.86 0.00 3.99 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 961 K 7.83 4.66 0.00 1.84 1.88 0.00 1.48 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.37 7.81 962 P 0.00 2.97 0.00 1.61 1.56 0.00 3.46 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 2.07 2.30 0.00 963 E 7.78 3.74 0.00 1.90 1.89 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 2.30 2.31 0.00 964 D 7.85 4.31 0.00 2.86 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 0.00 965 F 7.15 3.73 0.00 2.74 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 966 V 7.47 4.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.93 0.00 0.00 967 A 8.04 4.03 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 0.00 968 D 7.48 4.30 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 969 F 8.13 3.87 0.00 2.98 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 0.00 0.00 0.00 970 R 8.23 4.17 0.00 1.93 2.10 0.00 3.28 0.00 0.00 3.64 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 971 L 7.58 4.35 0.00 1.92 1.80 0.96 0.99 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 0.00 972 I 7.13 3.54 1.06 0.00 0.00 0.55 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 0.44 0.60 0.00 0.00 973 F 7.03 4.35 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 974 Q 8.37 4.10 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.77 0.00 975 N 8.54 4.38 0.00 2.94 2.96 0.00 0.00 6.63 8.31 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 0.00 976 C 8.25 4.43 0.00 3.43 3.31 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 0.00 977 A 8.03 4.10 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 978 E 8.17 4.07 0.00 2.13 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 2.70 0.00 979 F 8.16 4.21 0.00 2.91 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 980 N 7.83 4.55 0.00 2.97 2.81 0.00 0.00 7.10 7.11 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 0.00 981 E 8.53 3.99 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 982 P 0.00 4.37 0.00 2.03 2.00 0.00 3.81 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 983 D 9.05 4.64 0.00 2.77 2.71 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 0.00 984 S 7.75 4.53 0.00 4.14 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 0.00 985 E 8.68 3.97 0.00 2.06 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 0.00 2.43 2.40 0.00 986 V 7.83 3.67 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 1.29 0.00 0.00 0.94 0.00 0.00 987 A 7.87 4.13 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 0.00 988 N 8.73 4.38 0.00 2.90 2.91 0.00 0.00 6.92 7.37 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 0.00 989 A 8.44 4.27 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 990 G 8.72 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 991 I 7.82 3.65 2.01 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 1.51 0.96 0.89 0.00 0.00 992 K 8.18 3.93 0.00 2.07 1.85 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.46 7.81 993 L 7.98 3.83 0.00 1.80 1.53 0.92 1.03 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 0.00 994 E 7.70 2.54 0.00 1.16 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.86 0.00 995 N 8.07 4.28 0.00 2.91 2.84 0.00 0.00 6.67 6.94 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 0.00 996 Y 7.93 4.10 0.00 3.10 3.16 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 0.00 997 F 8.34 3.99 0.00 3.25 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 998 E 8.27 3.70 0.00 1.94 1.90 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 2.61 2.50 0.00 999 E 7.82 3.83 0.00 1.93 1.81 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 0.00 2.49 2.43 0.00 1000 L 7.49 3.54 0.00 1.34 1.24 0.48 -0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 1001 L 7.59 3.84 0.00 1.44 1.51 0.83 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 1002 K 7.55 3.97 0.00 1.77 1.80 0.00 1.62 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.70 7.81 1003 N 7.43 4.42 0.00 2.61 2.74 0.00 0.00 7.05 7.88 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 1004 L 7.75 4.07 0.00 1.45 1.30 0.91 0.59 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 1005 Y 7.87 4.73 0.00 3.00 2.81 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 0.00 0.00 0.00 0.00 1006 P 0.00 4.47 0.00 2.16 2.08 0.00 3.82 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 1.97 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.