NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 825 N 4.6602 8.4249 118.1249 53.0202 40.8182 174.7575 826 E 3.7255 8.0864 117.3839 56.6186 29.8556 175.2893 827 D 4.4660 8.4093 120.1501 53.7031 42.4183 176.3317 828 W 5.1839 7.2189 118.5894 54.2837 32.8343 174.5959 829 C 3.9669 9.2239 122.5556 59.8514 31.2887 174.7620 830 A 4.0065 8.1566 130.1870 54.7085 17.6810 177.9637 831 V 4.1345 7.3237 115.1811 64.9271 32.2230 176.2012 832 C 4.3494 7.9573 112.9427 58.2286 30.3829 174.3568 833 Q 3.9438 8.1980 118.1442 56.8574 26.5928 172.3005 834 N 5.1015 7.6817 117.5343 51.9039 41.8134 172.1734 835 G 4.2285 8.2369 107.9215 43.6658 0.0000 170.5310 836 G 3.8752 8.7290 104.5002 44.2185 0.0000 174.0670 837 E 4.1091 8.8480 123.2948 56.5341 28.9023 175.9515 838 L 4.8513 8.1554 123.4516 52.8199 44.8463 175.8603 839 L 4.6874 8.6327 122.7117 53.5740 44.3954 175.2078 840 C 4.9921 8.7646 124.1439 59.3634 29.2671 172.5717 841 C 5.0773 8.9450 123.4975 58.5755 32.4510 174.1109 842 E 4.1927 8.9419 125.1898 57.4968 29.4309 177.3600 843 K 4.4770 8.0165 117.1391 56.4136 34.0039 175.0711 844 C 4.9763 7.4158 112.1872 55.6759 32.9009 172.2497 845 P 4.5184 0.0000 0.0000 64.3975 31.4572 177.0846 846 K 4.5751 7.9758 118.1554 56.5721 33.3736 176.3258 847 V 5.0859 7.7989 114.5464 60.0344 36.1746 174.4345 848 F 5.1856 8.9253 119.6119 56.6194 43.9821 173.8250 849 H 4.7632 8.9089 117.9486 54.8280 30.0119 176.4305 850 L 3.6259 8.4919 123.1873 58.0521 41.4171 179.5678 851 S 4.2707 7.8032 109.5810 59.5847 63.6114 174.5107 852 C 4.1713 7.8650 118.5925 61.6786 28.5479 173.8368 853 H 3.9931 7.9017 117.8820 55.7359 30.0031 174.3063 854 V 4.0501 6.8907 122.4068 59.9921 33.2604 173.7258 855 P 4.4583 0.0000 0.0000 62.1322 32.1985 176.1073 856 T 4.0957 8.0937 115.7953 63.5747 68.8880 174.0388 857 L 4.7114 8.1156 126.0358 53.1001 42.9096 177.2863 858 T 3.9758 8.6550 114.3349 64.0573 69.1551 173.7015 859 N 4.9234 7.6840 117.3776 51.3441 43.0020 173.8680 860 F 4.0546 8.4388 118.2704 56.4910 39.6192 174.1173 861 P 4.4345 0.0000 0.0000 63.0099 31.4185 176.8844 862 S 4.4220 8.8568 118.8984 59.3697 63.4262 173.4205 863 G 4.4037 7.5864 108.7294 43.0505 0.0000 172.1053 864 E 4.4477 8.6382 116.6382 56.4238 30.4573 176.3735 865 W 5.1434 9.6968 130.6149 55.9054 34.2779 173.6491 866 I 4.4187 7.5955 127.2364 59.1827 39.3483 175.4414 867 C 3.2651 7.9308 120.5584 57.2233 30.6384 174.5804 868 T 3.7851 8.1359 116.6979 66.7891 67.7975 176.5146 869 F 4.4325 7.6517 118.6298 60.2940 39.0922 176.5965 870 C 4.4302 7.9555 114.5221 60.1860 28.9019 174.4469 871 R 3.9677 7.5028 121.1902 55.7357 30.1083 175.6342 872 D 4.3942 9.1901 125.0140 54.7493 41.7179 177.4139 873 L 4.1211 8.4608 125.9704 57.8574 42.2047 178.8691 874 S 4.2954 8.2312 113.6559 60.9546 63.0650 175.2019 875 K 4.4715 8.8121 121.2695 52.5609 30.9198 172.9893 876 P 4.3168 0.0000 0.0000 62.2140 31.5564 178.3415 877 E 4.0896 8.6204 121.4282 58.3876 29.7859 177.0199 878 V 4.4359 6.7823 108.9944 59.2471 35.6163 174.0654 879 E 4.4009 8.3641 121.7459 54.4386 31.4550 175.1852 880 Y 4.8478 8.1201 123.7929 57.1360 39.1671 175.0135 881 D 4.5864 9.2478 124.2376 56.7944 39.1453 177.8124 882 C 4.2720 8.3835 117.5059 57.0742 27.8131 172.6463 *891 K 4.0551 7.9492 125.3791 56.2724 33.4381 176.2632 892 K 3.8061 8.5051 121.3164 56.6028 32.4276 176.5682 893 K 4.0838 8.5433 125.6339 56.1461 31.6327 176.9581 894 T 3.8410 8.4930 121.5075 64.1050 68.6621 174.1527 895 E 4.3763 8.7768 126.0350 56.0744 30.8551 175.7582 896 G 4.0641 8.6522 107.0668 45.9265 0.0000 173.4806 897 L 4.4350 7.7827 119.5802 53.2019 44.7487 174.6721 898 V 4.2582 8.4259 126.4173 61.0476 32.6090 174.5235 899 K 4.7894 8.1790 125.1366 54.4081 36.0321 175.7745 900 L 4.2959 8.1415 120.9304 55.6177 42.2929 177.8481 901 T 4.1367 8.5922 112.2351 61.0147 69.9029 173.6048 902 P 4.2827 0.0000 0.0000 65.8169 31.2960 179.0336 903 I 3.6993 7.7526 118.1551 64.7094 37.0689 178.0923 904 D 4.6315 8.2730 119.5326 56.9538 40.5843 178.8085 905 K 3.9620 8.2445 120.5574 59.6490 32.2491 179.1736 906 R 4.2268 8.2134 119.8561 58.5995 29.8220 179.2409 907 K 4.0117 8.1898 118.5772 59.5601 32.0100 178.9819 908 C 3.8859 8.2397 119.1691 62.2551 30.8526 175.4666 909 E 4.0090 8.2783 120.5185 59.2136 28.9318 179.3276 910 R 3.7687 8.1586 118.8225 59.2302 30.2215 178.4367 911 L 4.2219 8.3298 119.1115 57.9771 41.6994 179.3999 912 L 4.3611 8.5408 119.1590 58.0792 41.6933 179.4619 913 L 4.1862 8.3971 120.4462 58.1234 41.6938 178.9037 914 F 4.7339 8.6778 117.2618 60.9251 39.2875 177.3355 915 L 4.5710 8.5911 118.4873 58.2843 41.3552 179.0651 916 Y 4.2346 8.8535 117.0912 61.4558 37.6611 178.2543 917 C 4.5665 8.5900 115.3774 60.5329 29.0586 173.5522 918 H 4.3572 8.1957 122.5836 55.2881 30.0970 175.7473 919 E 4.0054 8.6868 124.7161 59.7810 29.3289 177.5875 920 M 4.5367 8.2653 116.4480 55.4791 32.1384 176.7137 921 S 4.8091 8.2971 115.1700 59.0600 64.6077 175.9533 922 L 3.8491 8.3791 123.6438 58.3299 41.5602 178.8108 923 A 3.8279 7.7086 118.3234 53.9420 18.4336 177.6871 924 F 4.8507 7.9357 113.6434 57.2555 40.2334 177.5392 925 Q 3.7879 8.3106 121.7287 58.5107 28.6441 175.9835 926 D 5.4195 7.5716 114.3440 51.2062 43.8819 174.1064 927 P 4.3613 0.0000 0.0000 62.4937 31.8374 176.9295 928 V 3.4419 8.1060 121.4335 62.0258 32.1832 174.3249 929 P 4.4795 0.0000 0.0000 62.7141 32.0467 177.1125 930 L 4.3498 8.4415 119.1628 56.8827 41.7340 178.7056 931 T 4.2439 7.3984 106.5340 62.5184 69.0909 175.6902 932 V 4.6065 7.7394 114.8679 58.3153 32.8630 173.8188 933 P 4.3938 0.0000 0.0000 66.3577 31.3819 177.6384 934 D 4.4510 8.4125 116.9859 57.5347 40.9014 177.6139 935 Y 3.3602 8.1461 119.6946 60.9055 38.5322 177.6936 936 Y 4.2612 7.7070 114.0126 59.4339 38.1376 177.1791 937 K 4.3130 7.8560 118.3969 57.5735 32.8172 177.8878 938 I 4.3401 7.2335 118.7309 61.8424 38.0109 176.0059 939 I 3.9474 7.3795 122.1873 59.9826 36.4358 176.0995 940 K 4.2288 8.4241 125.5205 58.2249 32.6391 177.7122 941 N 5.0236 7.5689 115.2180 50.1717 39.1918 172.0065 942 P 4.4900 0.0000 0.0000 63.3156 32.4226 176.4114 943 M 4.7867 8.2128 117.9907 53.6714 35.1429 173.6895 944 D 4.7335 8.1401 122.8358 51.0688 43.8232 176.3159 945 L 3.8884 8.8330 120.6531 57.9275 41.3997 180.1396 946 S 4.5119 8.6446 115.7325 61.0177 62.8428 176.7596 947 T 3.9295 7.9470 119.5629 66.5089 68.1388 176.8983 948 I 3.7990 7.5342 121.9012 64.0139 36.9584 178.2608 949 K 3.9382 8.3631 120.8244 59.4881 32.1317 178.7179 950 K 3.9413 8.2794 119.8603 59.6722 31.0538 178.9819 951 R 3.8494 8.3675 118.7546 59.0582 29.6822 178.7822 952 L 4.4050 8.2386 119.7675 58.1608 42.2269 178.3454 953 Q 4.1805 7.7866 117.4208 56.5611 29.5746 175.6416 954 E 3.9210 7.6892 121.2221 56.6329 29.8913 176.4005 955 D 4.3239 8.7584 126.1350 58.4058 41.6567 177.3760 956 Y 4.1782 7.6504 120.1937 55.7251 37.3768 175.6095 957 S 4.4022 8.0421 116.6886 58.7373 63.6958 175.7856 958 M 4.2907 7.8545 122.2005 56.1052 31.4398 175.6069 959 Y 4.9120 7.3233 118.7145 57.1412 39.4280 176.3313 960 S 4.6142 9.0524 119.8615 58.9071 64.9040 174.1945 961 K 4.6598 7.8047 117.4094 53.6054 35.4284 174.7849 962 P 2.9700 0.0000 0.0000 65.6839 31.0413 178.4977 963 E 3.6513 7.8960 116.4226 59.6297 29.3658 179.2607 964 D 4.3687 7.9402 119.0877 57.2751 40.9756 178.6620 965 F 3.6904 7.1951 114.4555 59.1780 38.0343 177.7501 966 V 4.0967 7.4904 118.9959 65.9079 31.2731 177.6969 967 A 4.0163 8.0991 120.5340 55.4657 17.9941 179.4000 968 D 4.2951 7.4557 114.9323 57.3469 41.2271 178.7229 969 F 3.8698 8.1076 118.2899 60.5991 38.8540 178.0343 970 R 4.1665 8.3079 117.6812 58.9687 29.7010 178.8416 971 L 4.0128 7.8015 120.4830 58.0072 41.9844 179.1274 972 I 3.5509 7.1384 119.3495 64.3724 36.9495 178.4762 973 F 4.2966 7.1985 118.0852 60.4642 38.8304 177.4898 974 Q 4.0443 8.6522 119.8323 59.1466 28.8298 178.0035 975 N 4.3963 8.5280 117.9915 56.2435 38.5844 176.8899 976 C 4.3377 8.2394 119.9084 62.7310 31.5375 175.6035 977 A 4.0965 8.0738 120.8827 55.1669 18.0183 179.0490 978 E 4.1445 8.2588 116.1523 58.5142 29.6990 178.3382 979 F 4.4360 8.1801 119.7870 59.0696 40.4228 175.7283 980 N 4.5926 7.8480 114.8696 51.7856 39.7210 174.9740 981 E 4.0599 8.4342 121.7744 55.4415 30.2627 175.0421 982 P 4.4604 0.0000 0.0000 64.2435 31.7487 176.4011 983 D 4.6902 8.8586 118.3749 54.8671 40.8135 175.0119 984 S 4.3926 7.7213 113.7209 58.5328 65.0233 174.6508 985 E 3.9732 8.7823 122.6248 59.9420 29.1961 180.0665 986 V 3.6596 7.8128 117.1980 65.8669 31.7110 177.5996 987 A 4.1395 8.0738 120.5864 55.5385 18.2494 179.4388 988 N 4.3351 8.4439 114.6562 56.2939 38.5343 177.5890 989 A 4.2297 8.2890 122.5290 55.0874 18.5026 179.8535 990 G 3.4875 8.8635 104.7444 48.0062 0.0000 175.9848 991 I 3.6548 7.9724 122.3202 64.0466 37.1558 178.7700 992 K 3.9588 8.1764 119.3476 59.3492 31.8750 179.2788 993 L 3.9417 8.3479 121.1478 57.8890 41.9547 178.6347 994 E 2.5400 8.0746 119.7084 58.7849 29.4524 178.5345 995 N 4.2688 8.1826 116.7872 56.4174 38.5594 176.8173 996 Y 4.1243 8.0697 120.9699 60.4884 38.8595 177.6747 997 F 3.9927 8.5292 122.0226 61.4653 39.6761 176.9879 998 E 3.6243 8.4617 118.4752 59.3168 29.2401 179.2835 999 E 3.8842 7.8178 118.2643 59.0841 29.4523 179.2523 1000 L 3.6063 7.3274 119.1323 57.5221 41.4664 179.5411 1001 L 3.8689 7.4525 118.9942 57.6323 41.2468 179.6992 1002 K 3.9219 7.5121 117.2012 59.4248 32.0198 178.7657 1003 N 4.4576 7.6966 115.5262 55.3639 38.6537 176.8310 1004 L 4.2240 7.7338 119.0295 55.3238 43.4233 176.5966 1005 Y 4.6467 7.8398 115.5561 55.2410 38.3865 173.5535 1006 P 4.5092 0.0000 0.0000 62.8485 31.3720 176.8160 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 825 N 8.42 4.66 0.00 2.70 2.92 0.00 0.00 6.94 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 8.09 3.73 0.00 1.88 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 2.35 2.41 0.00 827 D 8.41 4.47 0.00 1.58 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 0.00 0.00 0.00 0.00 828 W 7.22 5.18 0.00 3.42 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 0.00 829 C 9.22 3.97 0.00 2.98 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 0.00 830 A 8.16 4.01 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 7.32 4.13 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 1.02 0.00 0.00 1.25 0.00 0.00 832 C 7.96 4.35 0.00 3.18 3.20 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 0.00 0.00 0.00 833 Q 8.20 3.94 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 834 N 7.68 5.10 0.00 2.68 2.77 0.00 0.00 6.94 7.80 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 0.00 835 G 8.24 4.23 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 0.00 0.00 0.00 836 G 8.73 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 0.00 0.00 0.00 837 E 8.85 4.11 0.00 2.08 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 2.28 2.34 0.00 838 L 8.16 4.85 0.00 1.44 1.52 0.81 0.88 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 0.00 839 L 8.63 4.69 0.00 1.61 1.50 0.36 0.05 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 0.00 840 C 8.76 4.99 0.00 2.97 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 0.00 841 C 8.94 5.08 0.00 3.57 3.17 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 0.00 842 E 8.94 4.19 0.00 2.03 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 2.42 2.41 0.00 843 K 8.02 4.48 0.00 1.70 1.86 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.46 7.81 844 C 7.42 4.98 0.00 3.24 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 0.00 845 P 0.00 4.52 0.00 2.22 2.14 0.00 3.64 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 2.13 2.12 0.00 846 K 7.98 4.58 0.00 1.94 1.41 0.00 2.01 0.00 0.00 2.09 0.00 0.00 2.75 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.66 1.55 7.81 847 V 7.80 5.09 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 0.80 0.00 0.00 0.84 0.00 0.00 848 F 8.93 5.19 0.00 2.76 2.85 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 0.00 0.00 0.00 849 H 8.91 4.76 0.00 3.25 3.19 0.00 5.84 0.00 0.00 0.00 0.00 6.81 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 3.63 0.00 1.45 1.66 -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 851 S 7.80 4.27 0.00 3.91 3.91 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 0.00 852 C 7.86 4.17 0.00 3.24 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 7.90 3.99 0.00 2.78 2.97 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 4.05 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 0.93 0.00 0.00 0.75 0.00 0.00 855 P 0.00 4.46 0.00 2.20 2.20 0.00 3.58 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.14 0.00 856 T 8.09 4.10 4.18 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 1.12 0.00 0.00 857 L 8.12 4.71 0.00 1.32 1.70 0.43 0.71 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 0.00 858 T 8.65 3.98 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 1.19 0.00 0.00 859 N 7.68 4.92 0.00 2.63 2.74 0.00 0.00 7.03 8.60 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 0.00 860 F 8.44 4.05 0.00 3.03 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 4.43 0.00 2.26 2.24 0.00 3.71 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 862 S 8.86 4.42 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 0.00 863 G 7.59 4.40 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 0.00 0.00 0.00 864 E 8.64 4.45 0.00 2.26 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 2.31 2.35 0.00 865 W 9.70 5.14 0.00 3.46 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 7.60 4.42 1.57 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.67 0.76 0.00 0.00 867 C 7.93 3.27 0.00 2.99 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 0.00 868 T 8.14 3.79 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 869 F 7.65 4.43 0.00 3.06 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 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0.00 0.00 0.00 2.09 1.75 0.00 911 L 8.33 4.22 0.00 1.99 1.67 1.14 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 912 L 8.54 4.36 0.00 2.08 2.07 1.06 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 913 L 8.40 4.19 0.00 1.56 1.31 0.82 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 914 F 8.68 4.73 0.00 3.55 3.30 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 0.00 915 L 8.59 4.57 0.00 2.07 1.93 1.12 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 916 Y 8.85 4.23 0.00 3.46 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 0.00 917 C 8.59 4.57 0.00 3.47 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 0.00 918 H 8.20 4.36 0.00 3.44 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 3.70 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.34 0.00 928 V 8.11 3.44 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 929 P 0.00 4.48 0.00 2.25 2.15 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 930 L 8.44 4.35 0.00 1.73 1.75 0.83 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 931 T 7.40 4.24 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 1.22 0.00 0.00 932 V 7.74 4.61 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 0.81 0.00 0.00 0.90 0.00 0.00 933 P 0.00 4.39 0.00 2.33 2.41 0.00 3.80 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 934 D 8.41 4.45 0.00 2.98 3.08 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 0.00 0.00 0.00 935 Y 8.15 3.36 0.00 2.48 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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952 L 8.24 4.41 0.00 1.91 1.95 0.99 0.69 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 7.79 4.18 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.52 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 954 E 7.69 3.92 0.00 2.37 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 2.37 0.00 955 D 8.76 4.32 0.00 2.74 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 0.00 956 Y 7.65 4.18 0.00 2.97 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 0.00 957 S 8.04 4.40 0.00 3.89 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 0.00 958 M 7.85 4.29 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.89 0.00 959 Y 7.32 4.91 0.00 3.23 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 0.00 960 S 9.05 4.61 0.00 4.02 3.96 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 0.00 961 K 7.80 4.66 0.00 1.82 1.84 0.00 1.57 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.52 7.81 962 P 0.00 2.97 0.00 1.59 1.42 0.00 3.48 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 2.04 2.34 0.00 963 E 7.90 3.65 0.00 1.91 1.91 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 2.31 2.33 0.00 964 D 7.94 4.37 0.00 2.94 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 0.00 965 F 7.20 3.69 0.00 2.68 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 7.49 4.10 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 1.25 0.00 0.00 0.86 0.00 0.00 967 A 8.10 4.02 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 0.00 968 D 7.46 4.30 0.00 2.80 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 8.11 3.87 0.00 3.01 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 8.31 4.17 0.00 2.04 2.09 0.00 3.26 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 971 L 7.80 4.01 0.00 1.90 1.82 0.92 1.03 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 0.00 972 I 7.14 3.55 1.15 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.39 0.55 0.00 0.00 973 F 7.20 4.30 0.00 3.16 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 0.00 974 Q 8.65 4.04 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 975 N 8.53 4.40 0.00 3.04 3.00 0.00 0.00 6.61 8.52 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 0.00 976 C 8.24 4.34 0.00 3.29 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 8.07 4.10 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 0.00 978 E 8.26 4.14 0.00 2.08 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 2.57 0.00 979 F 8.18 4.44 0.00 3.02 3.39 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 0.00 980 N 7.85 4.59 0.00 3.00 2.79 0.00 0.00 7.09 7.28 0.00 0.00 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 8.43 4.06 0.00 1.96 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 2.29 2.19 0.00 982 P 0.00 4.46 0.00 2.18 2.06 0.00 3.81 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 1.98 1.95 0.00 983 D 8.86 4.69 0.00 2.83 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 0.00 984 S 7.72 4.39 0.00 4.13 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 0.00 985 E 8.78 3.97 0.00 2.01 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 2.42 2.34 0.00 986 V 7.81 3.66 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.92 0.00 0.00 987 A 8.07 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 0.00 988 N 8.44 4.34 0.00 2.95 2.92 0.00 0.00 6.95 6.51 0.00 0.00 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 8.29 4.23 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 8.86 3.49 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 0.00 991 I 7.97 3.65 2.01 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 1.83 0.95 0.89 0.00 0.00 992 K 8.18 3.96 0.00 1.99 1.89 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 1.47 1.62 7.81 993 L 8.35 3.94 0.00 1.92 1.69 1.03 0.98 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 8.07 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 1.99 1.73 0.00 995 N 8.18 4.27 0.00 2.87 2.83 0.00 0.00 6.71 8.28 0.00 0.00 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 8.07 4.12 0.00 3.05 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 0.00 997 F 8.53 3.99 0.00 3.26 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 0.00 998 E 8.46 3.62 0.00 1.88 1.88 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 2.53 2.48 0.00 999 E 7.82 3.88 0.00 1.93 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 7.33 3.61 0.00 1.41 1.33 0.48 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 1001 L 7.45 3.87 0.00 1.46 1.50 0.77 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 1002 K 7.51 3.92 0.00 1.82 1.80 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.62 7.81 1003 N 7.70 4.46 0.00 2.67 2.76 0.00 0.00 7.04 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 1004 L 7.73 4.22 0.00 1.72 1.46 0.89 0.68 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 1005 Y 7.84 4.65 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 2.02 1.95 0.00 3.67 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 1.98 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.