NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 787 N 4.5737 8.4249 118.0984 52.9881 39.9806 173.5406 788 L 3.8289 7.8791 120.0618 53.2236 43.1347 174.4722 789 Y 4.6630 8.1929 119.5644 56.4088 40.7481 174.8652 790 F 5.1347 8.4811 120.9212 55.8663 43.3982 173.8022 791 Q 4.7108 8.4905 118.4785 54.8221 31.3763 174.7189 792 G 4.1477 8.3046 106.2314 45.1125 0.0000 172.7491 793 N 4.9495 8.5335 119.7664 52.8343 39.4246 174.5644 794 Q 4.4968 7.6834 116.5538 54.1484 32.3392 174.2125 795 Q 4.1728 8.7977 125.9813 58.5186 29.6079 175.8049 796 V 4.2572 7.4884 114.0082 61.1881 33.7081 171.5888 797 G 3.6556 8.6241 106.2921 43.9022 0.0000 173.0600 798 D 4.6717 8.3808 118.1520 54.7722 42.0789 175.7840 799 C 4.8913 8.2248 115.3146 58.0058 32.8126 172.1476 800 C 4.9154 9.2194 112.5610 57.0492 33.0348 172.9786 801 I 4.7681 8.4169 121.6487 59.9911 38.1337 175.1472 802 I 4.8586 8.8718 120.8146 59.2710 41.2958 174.4559 803 R 5.1581 9.3673 122.1240 54.5968 32.6814 175.2585 804 V 4.9103 9.2141 124.9309 61.2510 33.8297 174.4157 805 S 4.7033 9.0469 123.4773 57.0418 64.3185 172.4536 806 L 4.8670 8.3157 129.3840 53.6734 45.3674 175.8637 807 D 4.7683 8.9383 127.6151 54.0253 38.5568 173.7505 808 V 4.4995 8.5618 121.5597 59.7091 36.2711 170.6264 809 D 4.4490 9.3249 120.5542 56.6884 38.6018 174.6368 810 N 4.1065 8.0327 113.1656 52.3323 36.5499 173.8558 811 G 3.9034 6.3773 105.1117 45.8764 0.0000 168.6618 812 N 5.1751 8.3803 116.5908 51.7196 41.7948 173.9011 813 M 4.5005 8.7296 124.9479 54.7375 33.7648 174.3564 814 Y 5.2319 8.8151 123.5821 56.5701 40.3585 175.1904 815 K 4.7664 8.9442 121.5434 54.6453 36.4148 175.6338 816 S 5.0791 8.7934 120.0422 58.4603 63.9586 173.6817 817 I 4.8344 9.2703 124.9849 59.2716 40.9095 174.3775 818 L 4.3215 8.8454 128.9388 54.7457 42.8809 175.8599 819 V 4.4750 8.9220 127.4385 61.2759 33.5988 175.0279 820 T 4.5037 8.9570 119.3545 60.7434 69.9551 176.2290 821 S 3.0669 8.0528 117.5088 60.5246 62.8314 175.2326 822 Q 4.4224 7.5481 118.0077 55.7965 29.4548 175.5243 823 D 4.4597 7.9754 120.1572 54.0898 41.2027 176.0391 824 K 4.8859 8.3957 122.7231 54.4965 35.4645 177.3815 825 A 4.0170 8.3672 123.3619 55.3312 18.1930 178.5295 826 P 4.2002 0.0000 0.0000 65.7365 31.2760 178.6417 827 A 3.9845 7.9624 119.0314 55.0894 18.3362 179.7673 828 V 3.5117 7.5109 116.3236 66.2037 31.5759 178.2075 829 I 3.6833 8.1741 119.9542 64.6335 36.9362 178.6068 830 R 3.8929 8.1777 118.7650 59.0991 29.8637 179.3701 831 K 3.9551 7.8636 118.0670 59.3107 32.0772 179.2293 832 A 3.9865 8.0330 121.0093 55.4931 18.3321 179.5538 833 M 3.8759 8.2001 117.3597 58.5149 32.0490 178.6362 834 D 4.3249 8.0166 118.9328 57.5798 40.8500 179.2542 835 K 4.0558 7.7937 117.2325 59.1383 32.0492 178.1773 836 H 4.6304 8.0821 114.0878 54.5009 29.2416 174.7136 837 N 4.2204 7.6977 116.5757 54.7379 36.5216 174.3735 838 L 4.7063 8.2180 115.6824 54.7822 42.6775 180.0360 839 E 3.8830 8.5731 119.4249 59.8386 29.6791 180.8417 840 E 4.3390 8.1337 111.4737 56.4989 30.0217 178.4604 841 E 4.8201 8.0329 118.0140 55.7463 32.2352 174.8647 842 E 4.8473 8.3274 118.8811 53.8225 32.3704 175.9987 843 P 4.4681 0.0000 0.0000 65.6449 31.6972 178.4429 844 E 4.1398 8.2715 117.6033 58.9541 29.6794 177.1699 845 D 4.8669 8.2397 116.9441 54.9264 41.3501 175.0435 846 Y 5.3107 7.8135 115.9973 56.0750 41.7549 174.5116 847 E 4.8666 9.2717 117.6765 55.0093 33.8141 173.9127 848 L 5.2392 8.5279 120.2958 53.3030 44.4851 175.4156 849 L 5.1605 8.6992 122.6616 52.8597 45.4768 175.5981 850 Q 3.5595 9.2392 126.5594 55.6890 30.2501 175.0961 851 I 4.3132 8.3901 128.4604 60.4227 36.4415 175.8221 852 L 4.0624 8.5117 129.0435 57.3550 40.7812 177.3167 853 S 4.5504 7.4073 110.7293 57.3852 65.3431 174.7097 854 D 4.6127 8.7742 119.7767 56.7815 40.4643 177.2651 855 D 4.9445 7.5942 115.7544 52.4988 40.2745 175.3828 856 R 4.7398 7.9151 119.0340 54.6965 33.6320 174.5872 857 K 4.9819 8.6369 121.5885 54.5068 36.6544 175.3905 858 L 4.5691 8.7755 126.1645 52.9819 44.0982 175.2564 859 K 4.4397 8.6333 128.8024 56.3290 32.9547 176.0401 860 I 4.2493 8.5589 129.5702 59.6512 37.8568 174.4056 861 P 4.2988 0.0000 0.0000 63.1780 31.9577 177.7103 862 E 4.0245 8.8484 117.9130 58.7848 29.5835 177.4009 863 N 5.0700 7.9112 116.1570 52.8759 39.9654 173.5690 864 A 4.5213 7.9613 119.0732 50.3095 20.5232 177.1797 865 N 4.8784 8.6132 119.3486 53.5305 39.9309 176.1726 866 V 3.5749 8.6293 128.2467 66.1846 31.5650 177.4870 867 F 3.8071 8.2985 118.5355 61.4429 39.0651 175.8400 868 Y 4.4360 7.9801 113.6275 59.6390 38.3368 177.4050 869 A 4.2710 8.2626 121.5670 53.7495 18.8943 177.9291 870 M 4.2178 7.3863 113.9682 54.9391 31.7853 175.8120 871 N 4.5421 9.4962 119.9096 52.7644 38.7323 176.1863 872 S 4.1545 8.6984 121.8695 60.7144 63.2976 175.0529 873 T 4.2576 7.8816 108.7351 61.4193 69.3338 174.4677 874 A 4.4182 7.5043 125.2421 50.6897 19.9394 176.6015 875 N 4.4157 8.4001 116.8771 54.2160 39.4306 175.6571 876 Y 4.8972 8.4921 121.4843 58.7506 37.6453 174.8760 877 D 5.7947 8.0222 119.0014 52.8035 44.4331 176.8689 878 F 5.4944 10.0909 121.5263 55.6487 44.0702 173.9053 879 V 4.7288 8.9502 120.5296 59.8999 34.0358 174.3819 880 L 4.6959 8.9064 127.7382 53.8746 42.5442 175.3337 881 K 4.7537 8.9186 128.2644 54.0485 35.4225 175.3652 882 K 3.7309 8.5654 126.3948 56.3001 32.3276 177.2655 883 R 3.9266 8.6853 127.1749 57.0507 31.0219 176.9298 884 T 4.2927 7.8629 113.3340 59.1943 69.9809 175.0729 885 F 4.8779 8.4082 128.8407 55.1291 41.8733 176.0830 *890 K 4.0330 8.2187 121.2873 55.0853 31.6132 169.8069 891 V 4.2074 8.1363 126.5528 61.1582 32.7927 176.7629 892 K 4.2162 8.5931 127.4515 54.8073 31.6910 173.1465 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 787 N 8.42 4.57 0.00 2.55 2.57 0.00 0.00 6.92 6.97 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 0.00 788 L 7.88 3.83 0.00 1.34 0.88 0.95 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 789 Y 8.19 4.66 0.00 2.83 2.76 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 0.00 790 F 8.48 5.13 0.00 2.98 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 0.00 791 Q 8.49 4.71 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 792 G 8.30 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 0.00 0.00 0.00 793 N 8.53 4.95 0.00 2.67 2.77 0.00 0.00 6.72 7.08 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 0.00 794 Q 7.68 4.50 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 795 Q 8.80 4.17 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 796 V 7.49 4.26 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 0.66 0.00 0.00 0.92 0.00 0.00 797 G 8.62 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 0.00 798 D 8.38 4.67 0.00 2.40 2.61 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 0.00 799 C 8.22 4.89 0.00 2.97 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 0.00 800 C 9.22 4.92 0.00 3.12 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 0.00 801 I 8.42 4.77 1.84 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.32 0.96 0.00 0.00 802 I 8.87 4.86 1.94 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.85 0.77 0.00 0.00 803 R 9.37 5.16 0.00 1.90 2.20 0.00 3.09 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 804 V 9.21 4.91 2.15 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 0.96 0.00 0.00 0.90 0.00 0.00 805 S 9.05 4.70 0.00 2.72 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 0.00 806 L 8.32 4.87 0.00 1.29 1.07 0.95 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 807 D 8.94 4.77 0.00 2.74 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 808 V 8.56 4.50 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 0.64 0.00 0.00 0.93 0.00 0.00 809 D 9.32 4.45 0.00 2.78 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 0.00 810 N 8.03 4.11 0.00 2.80 2.82 0.00 0.00 7.06 7.65 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 0.00 811 G 6.38 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 0.00 0.00 0.00 812 N 8.38 5.18 0.00 2.62 2.58 0.00 0.00 6.67 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 0.00 813 M 8.73 4.50 0.00 2.23 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 814 Y 8.82 5.23 0.00 2.88 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 815 K 8.94 4.77 0.00 1.57 1.60 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.16 1.13 7.81 816 S 8.79 5.08 0.00 3.94 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 0.00 817 I 9.27 4.83 1.87 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 1.33 1.05 0.91 0.00 0.00 818 L 8.85 4.32 0.00 1.36 1.74 0.71 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 819 V 8.92 4.48 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 1.03 0.00 0.00 0.75 0.00 0.00 820 T 8.96 4.50 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 1.15 0.00 0.00 821 S 8.05 3.07 0.00 3.54 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 0.00 822 Q 7.55 4.42 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 823 D 7.98 4.46 0.00 2.86 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.89 0.00 1.81 1.73 0.00 1.73 0.00 0.00 2.11 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.51 7.81 825 A 8.37 4.02 1.46 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 0.00 826 P 0.00 4.20 0.00 2.19 2.14 0.00 3.57 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 2.26 2.27 0.00 827 A 7.96 3.98 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 0.00 828 V 7.51 3.51 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 0.87 0.00 0.00 0.92 0.00 0.00 829 I 8.17 3.68 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.59 0.92 0.00 0.00 830 R 8.18 3.89 0.00 2.00 1.97 0.00 3.13 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.91 0.00 831 K 7.86 3.96 0.00 1.93 1.88 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.69 7.81 832 A 8.03 3.99 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 0.00 833 M 8.20 3.88 0.00 1.93 2.16 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.09 0.00 834 D 8.02 4.32 0.00 2.90 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 4.06 0.00 1.80 1.77 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 836 H 8.08 4.63 0.00 3.16 3.25 0.00 5.81 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 837 N 7.70 4.22 0.00 2.87 2.88 0.00 0.00 6.79 8.06 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 0.00 838 L 8.22 4.71 0.00 1.50 1.57 0.60 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 839 E 8.57 3.88 0.00 1.98 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 2.24 1.89 0.00 840 E 8.13 4.34 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 841 E 8.03 4.82 0.00 2.11 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 2.34 2.32 0.00 842 E 8.33 4.85 0.00 2.04 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 2.33 2.22 0.00 843 P 0.00 4.47 0.00 2.26 2.34 0.00 3.74 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 2.11 2.01 0.00 844 E 8.27 4.14 0.00 2.03 2.15 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 2.36 2.45 0.00 845 D 8.24 4.87 0.00 2.98 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 0.00 846 Y 7.81 5.31 0.00 2.87 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 0.00 847 E 9.27 4.87 0.00 1.99 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 2.39 2.29 0.00 848 L 8.53 5.24 0.00 1.70 1.80 0.82 0.56 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 0.00 849 L 8.70 5.16 0.00 1.64 1.52 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 850 Q 9.24 3.56 0.00 1.41 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.93 0.00 0.00 0.00 0.00 0.00 1.95 1.32 0.00 851 I 8.39 4.31 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.97 0.00 0.00 852 L 8.51 4.06 0.00 1.75 1.69 0.89 0.76 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 0.00 853 S 7.41 4.55 0.00 3.95 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 0.00 854 D 8.77 4.61 0.00 2.69 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 0.00 855 D 7.59 4.94 0.00 2.89 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 0.00 856 R 7.92 4.74 0.00 1.70 1.80 0.00 3.05 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 857 K 8.64 4.98 0.00 1.55 1.62 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.39 7.81 858 L 8.78 4.57 0.00 1.66 1.44 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 859 K 8.63 4.44 0.00 1.81 1.71 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.47 7.81 860 I 8.56 4.25 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.97 0.00 0.00 861 P 0.00 4.30 0.00 2.20 2.01 0.00 3.68 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 862 E 8.85 4.02 0.00 1.98 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 2.25 1.92 0.00 863 N 7.91 5.07 0.00 2.63 2.78 0.00 0.00 6.87 7.96 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 0.00 864 A 7.96 4.52 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 865 N 8.61 4.88 0.00 2.88 2.91 0.00 0.00 6.72 7.71 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 0.00 866 V 8.63 3.57 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 0.82 0.00 0.00 0.98 0.00 0.00 867 F 8.30 3.81 0.00 2.93 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 0.00 868 Y 7.98 4.44 0.00 3.13 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 0.00 869 A 8.26 4.27 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 0.00 870 M 7.39 4.22 0.00 2.37 2.29 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 871 N 9.50 4.54 0.00 2.66 2.72 0.00 0.00 7.26 7.50 0.00 0.00 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 S 8.70 4.15 0.00 3.94 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 0.00 873 T 7.88 4.26 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 1.22 0.00 0.00 874 A 7.50 4.42 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 875 N 8.40 4.42 0.00 2.72 2.78 0.00 0.00 6.89 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 0.00 876 Y 8.49 4.90 0.00 2.93 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 0.00 877 D 8.02 5.79 0.00 2.71 2.76 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 0.00 878 F 10.09 5.49 0.00 2.87 2.90 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 0.00 879 V 8.95 4.73 2.06 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 0.77 0.00 0.00 0.96 0.00 0.00 880 L 8.91 4.70 0.00 1.60 1.70 0.91 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 881 K 8.92 4.75 0.00 1.86 1.61 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.36 7.81 882 K 8.57 3.73 0.00 1.78 1.51 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.44 1.05 7.81 883 R 8.69 3.93 0.00 1.39 1.05 0.00 3.30 0.00 0.00 3.40 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.38 0.00 884 T 7.86 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 885 F 8.41 4.88 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *890 K 8.22 4.03 0.00 1.80 1.70 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 891 V 8.14 4.21 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 0.94 0.00 0.00 0.95 0.00 0.00 892 K 8.59 4.22 0.00 1.81 1.55 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.32 0.99 7.81 * Residues marked with a * may have inaccurate shift predictions.