NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 823 S 4.4752 8.3193 116.7955 57.9120 64.8143 173.7745 824 P 4.5295 0.0000 0.0000 61.6659 33.4726 173.1033 825 N 5.1751 9.0213 115.0513 51.5834 43.1887 174.9855 826 E 4.1121 8.6235 120.3291 56.5968 30.0683 177.1693 827 D 4.1644 7.7848 119.0174 54.8904 41.3485 177.0655 828 W 5.0951 7.2877 117.2658 54.1026 32.7088 174.5822 829 C 4.0010 8.7173 121.1026 59.8672 31.2911 174.9417 830 A 4.0043 8.3340 130.3121 54.8789 18.2880 178.7775 831 V 4.1144 7.9904 114.7866 65.2039 31.8488 176.5421 832 C 4.4505 8.0376 112.3247 57.5867 30.5256 174.6843 833 Q 4.0879 8.3094 118.1367 56.6500 26.6133 173.0211 834 N 4.8963 7.6748 116.2556 52.2404 40.5140 174.8249 835 G 4.4573 8.2938 109.3162 45.3042 0.0000 171.6774 836 G 3.9246 8.7512 105.5875 44.2062 0.0000 173.0413 837 E 4.1726 8.7430 122.8056 56.2311 29.6952 175.9333 838 L 5.1167 8.2508 123.2600 52.7436 45.6254 176.1534 839 L 4.2804 9.1319 123.1044 54.3107 43.0395 175.4580 840 C 5.0966 8.5096 121.3406 57.9563 29.9158 173.4005 841 C 4.8576 8.8890 125.2655 59.7375 31.7377 173.4995 842 E 4.3691 9.0398 123.4703 57.5842 29.7108 178.3056 843 K 4.3780 7.9791 116.5347 56.8273 33.2394 175.4220 844 C 4.9224 7.6242 111.4092 55.7123 32.9001 172.2385 845 P 4.5255 0.0000 0.0000 65.1687 31.2647 177.2370 846 K 4.1368 8.1133 117.0605 57.1994 33.1334 176.4411 847 V 4.8817 7.7763 114.6727 59.8826 36.1104 174.4864 848 F 5.1688 9.0040 120.4397 56.3393 43.9170 173.9408 849 H 4.7442 8.8513 118.0346 55.2256 30.0622 176.3757 850 L 3.5559 8.5864 121.0772 57.8957 41.4355 179.3646 851 S 4.5373 7.6989 108.3514 57.9672 63.6742 174.4029 852 C 4.1537 7.6828 118.9925 61.9851 28.4987 173.8987 853 H 3.9765 7.8733 117.8010 55.6731 30.0335 174.2823 854 V 4.0786 6.8904 122.4643 60.0289 33.3635 173.7398 855 P 4.4704 0.0000 0.0000 62.1346 32.0486 176.0328 856 T 4.0507 8.1320 115.8683 63.5514 68.9671 173.8586 857 L 4.6926 7.9485 125.9227 53.6336 43.3078 177.1816 858 T 4.0808 8.7525 118.9627 65.9364 68.8671 174.5621 859 N 5.0623 7.9366 115.6496 51.0838 42.8730 173.9409 860 F 3.9935 8.7001 118.9581 56.3506 39.6202 174.2773 861 P 4.5264 0.0000 0.0000 62.7303 31.9526 176.6498 862 S 4.3583 8.8520 115.2860 60.5184 64.0998 174.1530 863 G 4.3276 7.6188 110.7761 43.7560 0.0000 171.7225 864 E 4.6047 8.8592 122.1015 56.2687 30.4327 177.6195 865 W 5.2451 9.0069 134.7158 55.7770 34.4883 173.4236 866 I 4.5883 7.4266 126.6847 59.1527 39.8793 175.3312 867 C 3.4340 7.8953 120.8231 57.2791 30.5985 174.6133 868 T 3.8165 8.0726 116.4793 66.6637 67.8020 176.5800 869 F 4.4437 7.6497 118.7441 60.2475 39.1025 176.5687 870 C 4.4216 7.9335 114.4209 60.1029 29.0125 174.4365 871 R 3.8512 7.6465 121.3291 55.6380 30.1734 175.6371 872 D 4.3881 8.9346 125.2866 54.7536 41.6637 176.5439 873 L 4.1568 8.4523 126.0426 57.7954 42.2449 178.8261 874 S 4.2910 8.2314 113.6746 60.9393 63.0290 175.1317 875 K 4.4533 8.9067 121.2351 52.7301 32.4238 172.9321 876 P 4.2125 0.0000 0.0000 62.9244 31.8904 176.8439 877 E 4.0903 8.6529 122.2490 58.6122 29.7945 177.3000 878 V 4.4603 7.1418 109.4824 59.3033 35.6874 173.8473 879 E 4.3926 8.4101 122.0768 54.4340 31.5461 175.2542 880 Y 4.8199 7.9575 123.6766 57.2673 39.0437 176.0402 881 D 4.4667 9.0955 123.6428 56.7188 39.3508 177.9464 882 C 4.2433 8.3000 113.7892 60.2170 29.7882 173.5651 883 D 4.8068 7.7862 119.5769 52.8936 43.5184 177.0919 *891 K 4.2978 8.7015 120.9204 56.2609 32.7918 178.7705 892 K 4.2349 9.0855 122.8424 55.9148 33.5533 175.3773 893 K 4.1741 8.4363 124.6142 55.9112 31.6160 177.2193 894 T 3.9600 8.4656 121.7088 63.8598 68.7852 174.3494 895 E 4.3056 8.8261 126.0610 56.4036 30.8020 176.0540 896 G 4.0658 8.6638 107.6727 45.8445 0.0000 173.6321 897 L 4.4688 7.7119 118.5579 53.3388 45.1553 174.4241 898 V 4.2728 8.4741 126.0303 61.2822 32.5233 174.6069 899 K 4.8805 8.2718 125.4723 53.9713 35.6851 175.9726 900 L 4.3900 8.1161 121.1174 55.1696 42.3612 177.7629 901 T 4.1348 8.5801 112.2420 61.0734 69.8879 173.5924 902 P 4.3133 0.0000 0.0000 65.7981 31.3114 179.1121 903 I 3.7144 7.7283 118.2588 64.6268 37.1502 178.0715 904 D 4.6447 8.3213 119.6426 56.9910 40.6401 178.7852 905 K 4.0343 8.2054 120.5295 59.6366 32.2512 179.1914 906 R 4.2955 8.1713 119.7287 58.5385 29.8298 179.2256 907 K 4.0276 8.0947 118.6385 59.5266 31.9575 178.9711 908 C 3.8638 8.1362 119.0375 62.2358 31.0831 175.4547 909 E 3.9624 8.1955 120.4347 59.2675 28.9179 179.3243 910 R 3.7701 8.0040 118.8301 59.2262 30.1902 178.4770 911 L 4.2170 8.3015 119.0676 57.8811 41.5659 179.4871 912 L 4.3199 8.4951 119.1830 57.9544 41.6673 179.3123 913 L 4.0779 8.1675 120.2414 58.2179 41.6812 178.9154 914 F 4.7161 8.5154 116.8413 60.9407 39.2749 177.3849 915 L 4.5636 8.4868 118.5223 58.2701 41.0111 179.1544 916 Y 4.2673 8.7644 117.0261 61.0854 37.6182 177.7352 917 C 4.6416 8.4669 115.0911 59.7155 29.1824 172.9737 918 H 4.6437 8.0988 122.5963 54.5628 30.3704 175.8626 919 E 4.1007 8.6335 124.4756 59.3788 29.4918 177.4706 920 M 4.4928 8.3993 117.2644 55.7538 32.4018 176.5731 921 S 4.9652 8.2731 114.2419 58.5566 64.6087 176.0646 922 L 3.8552 8.3050 121.9944 58.2507 41.2795 178.8252 923 A 3.9498 7.5477 117.0498 53.1626 18.5064 177.4611 924 F 4.9287 8.1036 114.0384 57.0349 40.6748 177.4610 925 Q 3.8532 7.9369 120.9096 58.0163 28.7369 175.7825 926 D 5.4316 7.5805 114.6442 51.1410 44.4740 173.6823 927 P 4.3421 0.0000 0.0000 62.5019 31.8448 176.9183 928 V 3.4198 8.1124 121.5594 62.1327 32.1598 174.3126 929 P 4.4775 0.0000 0.0000 62.4788 31.8026 177.4911 930 L 4.3323 8.4480 120.8637 57.6826 41.7483 178.7621 931 T 3.9367 7.8104 107.5290 63.3300 69.2785 174.4935 932 V 3.7347 7.7185 123.0737 61.5694 30.9807 173.1492 933 P 4.3230 0.0000 0.0000 64.3593 31.5736 176.0251 934 D 4.4875 9.1908 120.6686 54.9896 39.2341 174.6872 935 Y 3.3670 7.9468 121.6006 60.9464 38.5017 178.0583 936 Y 4.2966 7.8090 113.6042 59.3946 38.3538 176.8536 937 K 4.2399 7.8558 118.9386 58.6120 32.8943 178.2831 938 I 3.8700 7.6298 118.7802 63.5958 37.4014 176.4234 939 I 3.9544 7.3211 124.0607 59.9144 36.3068 176.0463 940 K 4.1797 8.5962 126.3344 58.6446 32.2816 177.6067 941 N 4.9799 7.6135 115.6916 50.0161 38.5961 172.0856 942 P 4.5416 0.0000 0.0000 63.1503 32.5258 176.3624 943 M 4.6706 8.1774 117.1740 53.9249 34.9213 173.6123 944 D 4.6987 8.0584 122.8099 51.1503 43.7738 176.2802 945 L 3.8731 8.7266 120.4791 57.8830 41.3863 180.1395 946 S 4.3950 8.1863 115.3518 61.1275 62.8745 176.8107 947 T 3.8930 7.9231 119.5492 66.4812 68.1907 176.8345 948 I 3.7637 7.5207 121.6423 64.1003 36.7885 178.2861 949 K 3.9504 8.3030 120.6934 59.5353 32.0353 178.7787 950 K 3.9704 8.2659 119.8580 59.5814 31.9095 179.0297 951 R 3.7868 7.9663 117.5561 59.0549 29.9500 178.4978 952 L 4.2654 8.0118 119.5306 57.8162 42.1964 178.0926 953 Q 4.2420 7.6348 117.7037 56.5413 29.7287 175.9055 954 E 4.0790 7.6972 119.6271 55.7709 30.0559 176.4736 955 D 4.1551 8.7606 122.4606 56.4572 41.6785 176.5566 956 Y 3.5490 8.2072 121.7698 59.1037 35.2014 170.2150 957 S 4.3953 7.6721 112.9661 57.9557 64.3819 174.6454 958 M 4.1661 8.1585 117.4582 56.6943 30.9738 175.7308 959 Y 4.8578 7.6873 119.4560 57.4651 38.5296 175.7697 960 S 4.8260 9.1766 120.1723 58.6216 64.8868 174.1872 961 K 4.6429 7.8084 118.3466 53.5758 35.4944 174.6722 962 P 2.9700 0.0000 0.0000 65.7206 31.1068 178.5827 963 E 3.7398 7.8767 116.3740 59.3997 29.3645 179.2474 964 D 4.3052 7.8335 119.2268 57.3090 40.9565 178.6822 965 F 3.7812 7.1582 114.4902 59.3383 38.0758 177.6382 966 V 4.0801 7.4834 118.8241 65.9555 31.2874 177.8112 967 A 4.0574 7.9636 120.4851 55.2796 17.9718 179.3997 968 D 4.2783 7.4639 115.4236 57.3254 41.2541 178.6681 969 F 3.8448 8.0744 118.3426 60.5921 38.8061 178.0391 970 R 4.1950 8.1585 117.4501 58.9760 29.7128 178.8715 971 L 4.3326 7.6272 121.7063 57.4260 42.0309 179.0946 972 I 3.5062 7.0743 119.4835 64.3609 37.0429 178.4473 973 F 4.3358 7.0968 117.9623 60.3740 38.6590 177.8147 974 Q 4.0701 8.4091 118.1499 59.0216 28.5630 178.3775 975 N 4.3775 8.4359 117.7740 56.2801 38.5505 176.9444 976 C 4.3173 8.1811 119.8060 62.7690 31.5320 175.6954 977 A 4.1464 7.8674 120.4941 54.8710 17.9672 178.8349 978 E 4.0800 7.9211 117.0688 58.6690 29.7809 178.0981 979 F 4.4040 8.1526 119.6376 59.7018 40.3531 175.9689 980 N 4.5184 7.6509 114.6311 52.6204 39.3270 175.0124 981 E 4.1267 8.4013 120.9488 55.3555 30.3521 175.0071 982 P 4.4004 0.0000 0.0000 64.1739 31.8363 176.3121 983 D 4.6937 8.8546 119.7510 54.9042 40.1408 174.5653 984 S 4.4855 7.7538 113.4585 58.0392 65.3359 174.5317 985 E 3.9150 8.6695 122.8508 59.7878 29.2915 179.3004 986 V 3.6506 7.8358 117.3192 65.7973 31.7404 177.5605 987 A 4.1128 7.9642 120.1317 55.5167 18.3194 179.4849 988 N 4.3967 8.4965 114.7013 56.1791 38.4886 177.6521 989 A 4.2404 8.2751 122.7000 55.0745 18.4295 179.8981 990 G 3.6052 8.7083 104.5164 48.0574 0.0000 176.0572 991 I 3.6847 7.7855 122.0720 64.0250 37.1312 178.7622 992 K 3.9927 8.1948 119.4125 59.3389 31.9021 179.2672 993 L 4.0044 8.3749 121.1612 57.8798 41.9182 178.6075 994 E 2.5400 7.9715 119.7313 58.6967 29.5574 178.5401 995 N 4.2373 8.0577 116.5338 56.3679 38.5788 176.7518 996 Y 4.1394 8.0176 120.8732 60.6343 38.8506 177.8391 997 F 3.9085 8.6771 121.8571 61.4442 39.6737 176.9655 998 E 3.6414 8.4267 118.3902 59.2492 29.0069 179.3089 999 E 3.8606 7.8352 118.3441 59.1925 29.5053 179.2458 1000 L 3.6146 7.3437 119.0466 57.4713 41.5035 179.5408 1001 L 3.8363 7.4462 119.0484 57.7414 41.3053 179.7895 1002 K 3.9753 7.5425 116.5770 59.0430 31.9477 178.6177 1003 N 4.4905 7.4586 116.0926 55.3070 38.8193 176.8248 1004 L 4.1861 7.8085 118.9181 55.5190 43.3493 176.6152 1005 Y 4.6966 7.7409 115.4079 55.6392 38.3001 173.5679 1006 P 4.5072 0.0000 0.0000 62.9834 31.4850 177.1793 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 823 S 8.32 4.48 0.00 3.89 3.97 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 0.00 824 P 0.00 4.53 0.00 2.22 2.07 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.03 0.00 825 N 9.02 5.18 0.00 2.63 2.76 0.00 0.00 6.79 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 E 8.62 4.11 0.00 1.86 1.82 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 2.32 2.25 0.00 827 D 7.78 4.16 0.00 1.58 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 828 W 7.29 5.10 0.00 3.44 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 0.00 829 C 8.72 4.00 0.00 2.89 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 0.00 830 A 8.33 4.00 1.13 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 0.00 0.00 831 V 7.99 4.11 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 1.02 0.00 0.00 1.18 0.00 0.00 832 C 8.04 4.45 0.00 3.19 3.23 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 0.00 833 Q 8.31 4.09 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 834 N 7.67 4.90 0.00 2.75 2.84 0.00 0.00 6.82 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 8.29 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 0.00 0.00 0.00 0.00 836 G 8.75 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 837 E 8.74 4.17 0.00 2.25 1.92 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 2.30 2.39 0.00 838 L 8.25 5.12 0.00 1.46 1.49 0.86 0.77 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 0.00 839 L 9.13 4.28 0.00 1.20 0.29 0.10 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 840 C 8.51 5.10 0.00 2.93 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 0.00 841 C 8.89 4.86 0.00 3.30 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 0.00 842 E 9.04 4.37 0.00 2.10 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 2.55 2.62 0.00 843 K 7.98 4.38 0.00 1.74 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.32 7.81 844 C 7.62 4.92 0.00 3.07 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 4.53 0.00 2.21 2.14 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 846 K 8.11 4.14 0.00 1.87 1.30 0.00 2.15 0.00 0.00 2.10 0.00 0.00 2.73 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.53 1.57 7.81 847 V 7.78 4.88 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 0.80 0.00 0.00 0.82 0.00 0.00 848 F 9.00 5.17 0.00 2.80 2.86 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 0.00 849 H 8.85 4.74 0.00 3.18 3.19 0.00 5.84 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 L 8.59 3.56 0.00 1.50 1.69 0.56 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 851 S 7.70 4.54 0.00 3.90 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 0.00 852 C 7.68 4.15 0.00 3.33 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 0.00 853 H 7.87 3.98 0.00 2.83 2.98 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 6.89 4.08 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.76 0.00 0.00 855 P 0.00 4.47 0.00 2.21 2.22 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 856 T 8.13 4.05 4.17 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 1.12 0.00 0.00 857 L 7.95 4.69 0.00 1.30 1.32 0.57 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 858 T 8.75 4.08 4.22 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 1.19 0.00 0.00 859 N 7.94 5.06 0.00 2.68 2.70 0.00 0.00 7.10 7.39 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 0.00 860 F 8.70 3.99 0.00 2.94 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 0.00 861 P 0.00 4.53 0.00 2.32 2.17 0.00 3.61 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.74 0.00 862 S 8.85 4.36 0.00 4.03 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 863 G 7.62 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 0.00 0.00 0.00 864 E 8.86 4.60 0.00 2.04 1.95 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 2.34 2.23 0.00 865 W 9.01 5.25 0.00 3.46 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 0.00 866 I 7.43 4.59 1.60 0.00 0.00 0.78 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 948 I 7.52 3.76 1.77 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.67 0.64 0.00 0.00 949 K 8.30 3.95 0.00 2.10 2.09 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.48 7.81 950 K 8.27 3.97 0.00 1.87 1.91 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.46 7.81 951 R 7.97 3.79 0.00 1.82 1.31 0.00 3.19 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 1.49 1.72 0.00 952 L 8.01 4.27 0.00 1.96 1.95 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 953 Q 7.63 4.24 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 954 E 7.70 4.08 0.00 2.10 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 2.34 2.34 0.00 955 D 8.76 4.16 0.00 2.74 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 956 Y 8.21 3.55 0.00 3.08 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 0.00 957 S 7.67 4.40 0.00 3.93 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 0.00 958 M 8.16 4.17 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.16 0.00 959 Y 7.69 4.86 0.00 3.21 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 0.00 960 S 9.18 4.83 0.00 4.07 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 0.00 961 K 7.81 4.64 0.00 1.83 1.88 0.00 1.51 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.60 1.36 7.81 962 P 0.00 2.97 0.00 1.64 1.48 0.00 3.48 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.27 0.00 963 E 7.88 3.74 0.00 1.90 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 2.30 2.32 0.00 964 D 7.83 4.31 0.00 2.85 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 0.00 965 F 7.16 3.78 0.00 2.73 1.82 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 0.00 966 V 7.48 4.08 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 1.17 0.00 0.00 0.83 0.00 0.00 967 A 7.96 4.06 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 0.00 968 D 7.46 4.28 0.00 2.82 2.60 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 0.00 969 F 8.07 3.84 0.00 2.91 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 0.00 0.00 0.00 970 R 8.16 4.19 0.00 1.94 2.09 0.00 3.25 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 971 L 7.63 4.33 0.00 1.90 1.81 0.96 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 972 I 7.07 3.51 1.10 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 1.41 0.65 0.40 0.00 0.00 973 F 7.10 4.34 0.00 3.16 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 0.00 974 Q 8.41 4.07 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.74 0.00 975 N 8.44 4.38 0.00 2.96 2.94 0.00 0.00 6.67 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 0.00 976 C 8.18 4.32 0.00 3.32 3.23 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 0.00 977 A 7.87 4.15 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 0.00 978 E 7.92 4.08 0.00 2.14 2.20 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 2.35 2.33 0.00 979 F 8.15 4.40 0.00 3.00 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 0.00 980 N 7.65 4.52 0.00 3.03 2.81 0.00 0.00 7.15 7.82 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 0.00 981 E 8.40 4.13 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.23 0.00 982 P 0.00 4.40 0.00 2.04 2.00 0.00 3.75 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 2.03 2.08 0.00 983 D 8.85 4.69 0.00 2.80 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 0.00 984 S 7.75 4.49 0.00 4.13 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 8.67 3.91 0.00 2.07 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 2.40 2.40 0.00 986 V 7.84 3.65 2.30 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 1.19 0.00 0.00 0.90 0.00 0.00 987 A 7.96 4.11 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 988 N 8.50 4.40 0.00 2.93 2.92 0.00 0.00 6.97 6.80 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 0.00 989 A 8.28 4.24 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 0.00 0.00 0.00 0.00 0.00 990 G 8.71 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 3.68 2.00 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 1.84 0.99 0.89 0.00 0.00 992 K 8.19 3.99 0.00 2.00 1.88 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.64 7.81 993 L 8.37 4.00 0.00 1.97 1.73 1.05 0.90 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 0.00 994 E 7.97 2.54 0.00 1.16 1.68 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 2.04 1.83 0.00 995 N 8.06 4.24 0.00 2.92 2.84 0.00 0.00 6.68 7.09 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 0.00 996 Y 8.02 4.14 0.00 3.05 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 0.00 997 F 8.68 3.91 0.00 3.27 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 8.43 3.64 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 2.56 2.48 0.00 999 E 7.84 3.86 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 1000 L 7.34 3.61 0.00 1.36 1.31 0.45 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 1001 L 7.45 3.84 0.00 1.47 1.50 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 1002 K 7.54 3.98 0.00 1.81 1.81 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.56 7.81 1003 N 7.46 4.49 0.00 2.60 2.75 0.00 0.00 7.00 8.14 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 1004 L 7.81 4.19 0.00 1.61 1.38 1.00 0.62 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 1005 Y 7.74 4.70 0.00 3.05 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 0.00 1006 P 0.00 4.51 0.00 2.16 2.00 0.00 3.80 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 1.92 0.00 * Residues marked with a * may have inaccurate shift predictions.