NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 820 K 4.2846 8.2993 121.7897 56.2970 32.9702 174.7067 821 I 4.5285 7.9855 118.9389 57.3874 40.7262 172.8598 822 P 4.4313 0.0000 0.0000 62.8812 32.5952 179.5134 823 V 3.8017 8.3239 114.2836 63.8348 31.7659 176.9897 824 E 4.3925 8.1489 116.9593 56.1432 29.7290 176.0262 825 A 4.4261 7.5356 122.5902 52.8931 19.4033 176.8261 826 D 4.5400 9.0533 118.2265 55.6421 38.6208 174.2768 827 F 4.7019 8.1258 115.9567 55.5866 42.5611 174.5577 828 L 4.9818 8.0357 122.8770 53.8126 45.0595 174.7876 829 Y 4.3527 9.5837 124.5699 56.4313 39.9218 174.9171 830 A 4.6681 8.5028 127.8764 50.9097 18.4101 175.3372 831 Y 4.4215 8.6601 119.1882 57.7107 39.3313 177.1828 832 S 2.0000 8.4511 117.0695 60.2170 63.6643 173.3074 833 T 5.5929 7.3800 113.1386 60.7678 70.4536 172.8602 834 A 4.2051 8.4420 126.4053 51.0669 19.8840 175.1608 835 P 4.1875 0.0000 0.0000 64.1518 31.6053 177.4213 836 G 3.7390 9.0497 111.7469 45.6562 0.0000 172.5070 837 Y 4.4796 7.4048 116.3570 55.9263 40.2980 175.1803 838 Y 4.3345 8.3311 118.9687 58.0162 38.7476 175.1040 839 S 4.7044 8.1273 115.5751 56.3720 65.4145 173.0612 840 W 4.3737 9.3047 126.4226 55.0818 30.9218 175.2408 841 R 4.7622 8.2184 122.4341 54.5666 33.0163 173.5403 842 N 5.0825 8.9298 124.1843 51.7530 40.4416 175.8342 843 S 4.1899 9.0140 122.0941 60.7960 63.1556 175.2503 844 K 4.4790 8.3631 117.0616 57.2019 34.1016 176.5868 845 D 4.5574 8.9827 118.0841 54.0377 41.8118 176.3603 846 G 3.9412 8.3321 105.7537 44.0960 0.0000 172.8170 847 S 4.6753 8.3575 112.8200 57.8314 65.0883 175.0353 848 W 3.7439 8.3962 123.7349 59.7841 28.7437 178.7095 849 F 4.3387 8.2607 119.9417 61.5099 38.9264 176.9914 850 I 3.4947 7.7592 119.0685 64.3963 36.9773 178.5290 851 Q 4.0237 8.1207 118.4413 59.4166 28.3618 178.8306 852 S 4.2307 8.0809 116.9460 61.1141 62.8110 176.2925 853 L 3.8366 8.1495 123.4225 58.4231 41.7423 178.8742 854 C 4.0727 8.3231 116.7069 62.6092 28.0109 175.9748 855 A 3.9789 8.0681 122.3447 55.6038 18.0182 179.6961 856 M 4.2386 8.2867 117.2388 58.4660 31.9349 179.0857 857 L 4.1376 8.2735 119.4335 57.7067 41.5721 179.5787 858 K 3.9082 8.0490 117.5753 59.6453 32.0783 178.9787 859 Q 4.0162 7.8615 116.8454 57.6414 29.0519 176.8885 860 Y 4.9210 8.3772 115.2360 57.5376 39.3594 177.3192 861 A 4.3220 8.4215 123.3059 54.9061 18.5757 177.9621 862 D 4.9443 8.2429 113.2446 53.7429 40.1783 176.5035 863 K 4.7123 8.7403 117.0783 58.6586 36.9121 177.0730 864 L 4.4540 8.1056 118.2724 53.6086 42.6854 177.0061 865 E 3.5876 8.6004 121.8974 55.5279 31.5557 177.5504 866 F 4.5831 8.7312 126.6497 62.0829 39.4737 177.5451 867 M 3.8072 8.4063 118.0384 58.7943 31.6831 178.5584 868 H 4.2999 8.0265 115.8051 58.7409 28.9478 177.7679 869 I 3.7384 7.6886 121.5342 64.4806 36.9338 178.5117 870 L 3.9839 7.9676 119.9407 58.0409 41.3259 179.7745 871 T 3.9311 7.9319 115.8170 66.4981 68.2856 177.0791 872 R 3.9714 7.9262 120.3095 58.9766 29.9714 179.2165 873 V 3.6508 7.9021 118.1654 66.0034 31.5500 177.5003 874 N 4.3699 8.5019 116.6789 56.6305 38.4500 177.2222 875 R 3.9041 8.0267 119.5981 59.3897 30.1524 178.4054 876 K 4.0001 8.3163 119.4929 59.5038 31.7090 178.9752 877 V 3.8058 8.4305 118.7330 66.1682 31.3440 177.9791 878 A 4.1434 8.0876 120.4599 54.2554 18.2195 179.3398 879 T 4.1579 7.9129 113.6532 66.1727 69.2202 176.5053 879A E 4.0840 8.0853 116.6797 55.5221 30.2060 176.2253 880 F 4.2293 6.9255 117.5925 55.2537 42.0222 174.0982 881 E 4.8567 7.4820 123.7144 54.7163 33.1681 174.3669 881A S 4.5602 9.0028 121.5376 58.2231 64.8292 173.1324 881B F 4.8717 8.5777 122.8350 56.7747 41.4520 173.5497 881C S 4.3950 8.2590 119.9532 56.2507 64.9837 174.1877 881D F 4.3449 8.3879 123.9656 59.7768 39.1169 175.0113 881E D 4.6301 8.1689 120.8645 52.5582 40.4448 176.0843 881F A 4.0254 8.8151 131.0645 55.7756 18.5373 179.5631 881G T 3.7982 8.0707 111.1422 66.3572 68.5136 175.1594 881H F 4.7744 8.4862 117.0885 57.3413 39.3435 175.0689 881I H 4.4697 8.0294 120.9253 56.1855 30.5046 174.4085 882 A 3.8234 7.5706 125.6670 52.3616 16.5548 177.6306 883 K 4.5819 8.1095 118.6313 56.2303 34.1626 176.3077 884 K 5.1603 8.3731 119.4827 54.9165 35.3925 175.2721 885 Q 4.7330 8.4226 118.8962 54.8131 32.2565 172.6460 886 I 4.6788 8.0985 123.4621 58.6777 41.2340 173.2013 887 P 5.2755 0.0000 0.0000 61.8998 33.1301 175.2958 888 C 4.6084 8.9466 120.2478 58.0480 34.2489 172.7270 889 I 4.4711 8.4729 128.0742 60.6032 37.9252 175.7711 890 V 4.1886 8.9119 128.3641 61.1544 33.4981 174.2448 *892 S 4.5850 8.5106 122.3285 58.1568 63.4398 173.2461 893 M 4.9300 8.8954 127.3930 55.1197 33.2537 175.9916 894 L 4.4865 8.0556 118.2737 55.1047 42.4314 177.3499 895 T 4.4658 8.2870 116.1502 63.7287 69.9953 174.3062 896 K 4.6655 7.4372 118.6832 54.4532 36.4105 175.2180 897 E 4.2104 8.4712 119.5245 56.2683 30.5454 176.2842 898 L 4.3830 9.4006 125.9144 53.3513 44.6056 174.5897 899 Y 4.4766 7.8803 123.0475 55.5452 41.3819 175.8207 900 F 4.8953 8.4515 122.6099 57.5095 39.5342 175.3056 901 Y 4.4881 7.1928 124.7615 57.5100 37.8177 174.3294 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 820 K 8.30 4.28 0.00 1.74 1.82 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.45 7.81 821 I 7.99 4.53 1.89 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 1.43 0.99 0.92 0.00 0.00 822 P 0.00 4.43 0.00 2.25 2.05 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 2.14 2.13 0.00 823 V 8.32 3.80 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 0.74 0.00 0.00 0.96 0.00 0.00 824 E 8.15 4.39 0.00 1.99 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 2.27 2.23 0.00 825 A 7.54 4.43 1.29 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 0.00 0.00 826 D 9.05 4.54 0.00 2.70 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 0.00 827 F 8.13 4.70 0.00 2.98 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 L 8.04 4.98 0.00 1.59 1.50 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 829 Y 9.58 4.35 0.00 2.74 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 0.00 0.00 0.00 830 A 8.50 4.67 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 0.00 831 Y 8.66 4.42 0.00 3.09 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 0.00 832 S 8.45 2.00 0.00 3.78 3.83 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 0.00 833 T 7.38 5.59 4.21 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 1.27 0.00 0.00 834 A 8.44 4.21 1.09 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 0.00 0.00 835 P 0.00 4.19 0.00 1.91 1.90 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 836 G 9.05 3.74 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 0.00 0.00 0.00 837 Y 7.40 4.48 0.00 3.08 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 0.00 838 Y 8.33 4.33 0.00 2.87 2.35 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 0.00 839 S 8.13 4.70 0.00 3.76 3.58 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 0.00 840 W 9.30 4.37 0.00 1.78 1.74 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 0.00 841 R 8.22 4.76 0.00 1.68 1.68 0.00 3.22 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 842 N 8.93 5.08 0.00 3.13 3.06 0.00 0.00 7.04 7.15 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 0.00 843 S 9.01 4.19 0.00 3.95 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 0.00 844 K 8.36 4.48 0.00 1.87 1.94 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.47 7.81 845 D 8.98 4.56 0.00 2.87 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 0.00 846 G 8.33 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 0.00 0.00 0.00 847 S 8.36 4.68 0.00 4.21 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 0.00 848 W 8.40 3.74 0.00 3.15 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 0.00 0.00 0.00 849 F 8.26 4.34 0.00 3.07 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 0.00 850 I 7.76 3.49 1.91 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 1.70 0.89 0.89 0.00 0.00 851 Q 8.12 4.02 0.00 2.39 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.77 2.65 0.00 852 S 8.08 4.23 0.00 4.14 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 0.00 853 L 8.15 3.84 0.00 1.12 1.55 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 854 C 8.32 4.07 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 0.00 855 A 8.07 3.98 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 0.00 856 M 8.29 4.24 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.98 0.00 857 L 8.27 4.14 0.00 1.79 1.64 0.78 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 858 K 8.05 3.91 0.00 1.84 1.84 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.74 7.81 859 Q 7.86 4.02 0.00 1.35 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.22 2.57 0.00 860 Y 8.38 4.92 0.00 3.16 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 0.00 861 A 8.42 4.32 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 862 D 8.24 4.94 0.00 2.73 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 0.00 863 K 8.74 4.71 0.00 1.96 1.95 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.15 0.00 0.00 3.54 0.00 0.00 0.00 0.00 1.53 1.67 7.81 864 L 8.11 4.45 0.00 1.86 1.75 0.48 0.93 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 0.00 865 E 8.60 3.59 0.00 1.78 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.86 0.00 866 F 8.73 4.58 0.00 2.82 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 0.00 867 M 8.41 3.81 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 868 H 8.03 4.30 0.00 3.33 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 869 I 7.69 3.74 2.26 0.00 0.00 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 1.73 1.20 1.12 0.00 0.00 870 L 7.97 3.98 0.00 1.58 1.61 0.27 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 871 T 7.93 3.93 4.36 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 1.19 0.00 0.00 872 R 7.93 3.97 0.00 2.09 2.02 0.00 3.17 0.00 0.00 3.00 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.48 0.00 873 V 7.90 3.65 2.37 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 1.20 0.00 0.00 0.98 0.00 0.00 874 N 8.50 4.37 0.00 3.00 2.92 0.00 0.00 6.71 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 0.00 875 R 8.03 3.90 0.00 1.92 2.10 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 876 K 8.32 4.00 0.00 2.04 2.05 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.70 1.86 7.81 877 V 8.43 3.81 2.44 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 1.22 0.00 0.00 1.13 0.00 0.00 878 A 8.09 4.14 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 0.00 879 T 7.91 4.16 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 1.18 0.00 0.00 879A E 8.09 4.08 0.00 1.71 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 2.13 2.24 0.00 880 F 6.93 4.23 0.00 2.15 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.48 4.86 0.00 1.86 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 881A S 9.00 4.56 0.00 3.03 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 881B F 8.58 4.87 0.00 3.03 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 881C S 8.26 4.40 0.00 3.89 3.70 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 881D F 8.39 4.34 0.00 3.08 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 881E D 8.17 4.63 0.00 2.80 2.75 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 0.00 0.00 0.00 881F A 8.82 4.03 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 881G T 8.07 3.80 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 0.82 0.00 0.00 881H F 8.49 4.77 0.00 3.12 3.50 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 0.00 0.00 0.00 0.00 881I H 8.03 4.47 0.00 3.22 3.34 0.00 6.10 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 882 A 7.57 3.82 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 4.58 0.00 1.70 1.96 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.21 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.68 1.83 7.81 884 K 8.37 5.16 0.00 1.79 1.81 0.00 1.89 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.35 7.81 885 Q 8.42 4.73 0.00 2.54 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.86 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 886 I 8.10 4.68 1.86 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 1.33 1.19 0.78 0.00 0.00 887 P 0.00 5.28 0.00 2.34 1.91 0.00 3.90 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.08 0.00 888 C 8.95 4.61 0.00 2.91 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 0.00 889 I 8.47 4.47 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.88 0.00 0.00 890 V 8.91 4.19 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 1.08 0.00 0.00 1.24 0.00 0.00 *892 S 8.51 4.58 0.00 3.98 3.84 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 0.00 893 M 8.90 4.93 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 894 L 8.06 4.49 0.00 1.66 1.71 0.95 0.64 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 0.00 895 T 8.29 4.47 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 1.21 0.00 0.00 896 K 7.44 4.67 0.00 1.63 1.64 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.43 7.81 897 E 8.47 4.21 0.00 1.85 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 898 L 9.40 4.38 0.00 1.46 1.26 0.52 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 899 Y 7.88 4.48 0.00 2.40 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 0.00 900 F 8.45 4.90 0.00 3.12 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 0.00 901 Y 7.19 4.49 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 * Residues marked with a * may have inaccurate shift predictions.