NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 879 H 4.9529 8.4293 116.3273 55.5037 30.0276 172.1000 880 Q 4.7667 8.4846 119.9677 52.7922 31.7445 173.3192 881 S 5.3186 9.3434 116.3791 57.8602 64.8054 173.2205 882 Y 4.7539 8.8088 117.0095 57.2234 42.3398 175.3869 883 D 4.5996 9.1504 117.1631 55.9573 42.8103 177.2771 884 C 4.9105 7.9154 120.3022 56.9065 31.8900 170.6228 885 V 4.4199 8.9523 122.3485 60.5763 34.0059 173.3535 886 C 4.8138 8.7585 129.0984 58.3630 32.8290 172.1265 887 V 4.6108 8.6534 127.1804 61.3863 33.7765 174.1394 888 M 5.3084 8.8814 126.5491 53.9449 36.0172 173.5010 889 F 5.2252 9.0088 123.7063 55.7691 42.2407 174.8335 890 A 4.8356 9.4413 124.5360 50.5269 21.6688 175.3612 891 S 5.0237 8.6851 116.4134 58.1192 66.2742 173.6226 892 I 5.1447 7.8099 121.0108 58.6110 36.5541 174.6384 893 P 4.3807 0.0000 0.0000 65.0881 31.2843 178.3430 894 D 5.3466 8.1841 116.8459 53.0047 39.8837 177.5944 895 F 4.7162 8.5989 124.1564 61.2288 39.2084 177.2016 896 K 3.9906 7.7041 118.3838 59.6737 32.0290 178.3353 897 E 4.1658 8.2314 118.3727 59.2975 29.3702 178.6606 898 F 4.2330 7.5807 120.0010 60.2009 39.4943 174.5278 899 Y 3.7759 7.7365 120.2442 57.9583 38.3494 175.0326 900 T 4.3471 7.5209 116.6293 59.5852 71.6636 173.0525 901 E 4.2670 8.2254 121.9125 54.6272 31.0470 176.6853 902 S 4.7957 8.0746 123.2751 58.3883 63.2777 176.6580 903 D 4.5935 8.4883 112.8791 55.2953 43.5835 177.6804 904 V 3.5614 8.0473 117.7124 65.8379 31.6137 176.1795 905 N 4.7424 8.3331 116.2340 52.7803 37.6392 175.0798 906 K 4.0550 8.5060 115.5025 58.4318 30.4111 175.1194 907 E 4.1876 8.7200 111.8779 56.9611 26.4007 175.7534 908 G 3.7946 8.7353 106.4745 44.9352 0.0000 175.9449 909 L 4.0690 7.8018 121.6418 58.2627 41.9707 178.6526 910 E 4.0328 7.8122 116.4563 59.2041 29.4927 179.1536 911 C 4.6642 8.0775 116.7281 63.0236 28.5498 175.4092 912 L 4.1515 7.8587 119.3276 58.2316 41.3282 179.4933 913 R 3.9904 8.4798 118.6527 59.4794 29.8907 178.3854 914 L 3.9309 8.2919 119.9985 58.0084 42.1746 178.2402 915 L 3.5640 8.1832 119.9028 58.4225 41.8269 177.8031 916 N 4.1300 8.5685 116.6990 57.3095 38.6539 176.1372 917 E 3.9870 8.1226 119.1598 59.6928 29.4760 179.8325 918 I 3.3723 7.4865 119.3797 64.1984 37.2587 178.2327 919 I 3.3849 7.9655 120.6072 64.4558 36.9717 178.3379 920 A 4.0090 8.4446 121.6612 55.3447 17.9476 179.4695 921 D 4.3517 7.4222 116.6392 57.3786 40.7997 178.6442 922 F 4.4175 8.1897 118.8431 60.4059 38.9123 177.6210 923 D 4.8196 8.7521 120.3091 56.7922 40.1458 178.4354 924 D 4.5203 8.3248 119.4327 57.0262 40.7219 178.6787 925 L 4.2405 7.7609 118.6548 57.6653 41.3535 179.1756 926 L 4.3590 7.6146 117.5601 57.9210 41.6372 179.1124 927 S 4.3797 7.6805 111.7302 58.8790 63.5884 174.7308 928 K 4.3040 8.2154 123.4149 55.3734 32.9904 176.3395 929 P 4.2986 0.0000 0.0000 65.5103 31.4444 178.9148 930 K 3.9874 7.8705 115.6088 58.7576 32.7787 177.2924 931 F 5.2347 7.6674 118.7462 57.1737 39.4738 177.6799 932 S 4.2069 8.0830 118.2042 60.9780 62.8609 175.0928 933 G 3.8991 8.0408 107.9334 45.4521 0.0000 172.9693 934 V 4.0229 7.3575 120.4998 61.5619 32.6932 175.3841 935 E 4.4046 8.7188 128.1855 53.5643 31.6887 174.0507 936 K 3.7544 8.5246 127.6006 57.4844 32.1583 175.8053 937 I 4.2148 8.1042 128.5269 62.7135 38.3702 175.8023 938 K 4.2749 7.1954 118.0153 56.6607 35.4742 173.5204 939 T 4.9385 8.4277 117.2730 61.9039 70.6158 174.3929 940 I 4.3447 8.8449 127.6586 60.1771 39.8678 177.1630 941 G 3.9217 8.5633 116.5215 46.9109 0.0000 173.9207 942 S 4.6991 8.7258 116.6700 58.1659 63.7126 172.5627 943 T 5.0398 8.3302 117.6228 63.0454 71.0704 173.1086 944 Y 4.6362 9.4551 129.0055 57.1169 40.3947 173.5222 945 M 4.8269 8.2360 126.3409 53.5853 34.7091 174.2358 946 A 4.9401 8.5987 126.4820 50.2603 23.4771 174.2270 947 A 5.1532 8.2861 119.9380 50.4729 23.4703 175.2424 948 T 4.7494 8.7207 108.4889 60.7394 72.4454 175.0125 949 G 3.6737 8.9278 110.7552 45.7042 0.0000 174.4842 950 L 3.9938 7.5419 120.1255 56.8434 41.9384 177.1205 951 S 4.5649 7.9502 113.6930 59.0268 63.1538 173.3984 952 A 4.7948 8.0375 122.1445 50.6869 21.6245 177.1413 953 I 3.8566 8.0938 118.7092 63.0122 38.0374 176.2965 *964 R 4.0839 7.5121 117.8305 55.7913 30.9199 175.0437 965 Q 3.9098 8.4971 117.9417 58.6761 27.6186 177.8643 966 Y 4.5928 7.1190 115.3608 57.7152 38.1554 177.3140 967 M 4.3912 7.7774 121.5233 58.8527 32.7230 176.4059 968 H 4.3107 7.9112 115.0572 58.4290 28.8393 177.4426 969 I 3.8567 7.8821 122.3241 64.4005 36.9882 178.1770 970 G 4.0028 7.7312 104.7077 46.9288 0.0000 175.4748 971 T 4.2867 7.6772 118.3164 66.3546 68.9220 176.5546 972 M 4.0834 8.3860 120.4131 58.5425 32.2204 178.5249 973 V 3.5163 7.8112 117.8215 66.2598 31.7236 177.6804 974 E 4.3124 8.2180 118.4308 59.7935 29.3829 179.3028 975 F 3.6798 8.3982 120.2535 60.6572 39.3108 177.3531 976 A 3.7574 7.9067 120.2724 54.9898 17.9813 179.1748 977 Y 4.0191 7.8207 114.3477 60.8820 38.0487 178.5235 978 A 4.1164 7.4042 121.5108 55.1317 18.5253 179.4412 979 L 3.1125 6.9881 117.2602 57.8542 41.4268 180.0732 980 V 3.7836 7.4362 118.0447 65.6822 31.3546 178.3242 981 G 3.6198 8.1993 105.9359 47.3046 0.0000 176.1342 982 K 4.0253 7.9311 120.3237 59.2002 32.1881 178.9689 983 L 3.9831 8.5243 121.0409 58.4015 41.9121 178.6387 984 D 4.3705 8.4011 118.6564 57.2897 40.5519 178.8479 985 A 3.9776 8.0642 121.1066 55.2001 18.4881 179.3571 986 I 3.6894 8.0156 118.8045 64.9512 37.2685 177.9477 987 N 4.3123 8.3664 118.5708 55.5322 38.1778 177.0285 988 K 3.6317 7.3666 119.3984 59.9935 32.4174 178.1421 989 H 4.3075 7.5580 113.4000 56.7282 28.8713 176.0769 990 S 4.6535 7.7221 114.8485 56.9512 63.8632 173.9616 991 F 3.7681 7.4556 117.9327 58.5039 35.9327 172.8647 992 N 4.8638 7.9308 116.7013 52.4082 43.2606 173.1817 993 D 4.7657 7.6030 116.8720 52.6662 41.0310 175.2048 994 F 4.7238 8.7680 119.3647 57.3171 40.0552 176.0245 995 K 4.6964 9.0144 124.9959 54.5532 34.6178 175.1783 996 L 4.9258 8.1776 122.6737 53.4082 45.0056 175.0789 997 R 4.7336 8.8058 125.2850 54.7400 32.6613 173.9750 998 V 4.7514 8.3917 127.3757 61.0449 34.1943 174.4398 999 G 4.5512 8.7601 114.5395 44.5401 0.0000 172.1403 1000 I 5.2590 8.8412 124.3062 59.5135 41.1881 174.0263 1001 N 5.4814 9.2071 124.7692 52.0013 42.8976 172.3465 1002 H 5.3917 9.4777 116.3663 53.3165 32.2229 173.5614 1003 G 3.9569 7.8947 106.4046 44.7293 0.0000 169.5019 1004 P 4.8488 0.0000 0.0000 63.3459 32.0673 176.0487 1005 V 4.8453 8.1348 115.3594 59.7023 36.2897 173.9348 1006 I 5.1401 8.4581 119.9436 59.8903 40.7022 174.9819 1007 A 4.9860 10.4962 128.0417 49.1430 22.4806 175.8352 1008 G 4.6904 7.4281 107.7280 46.1249 0.0000 172.0193 1009 V 5.1708 8.2029 113.1396 60.9092 32.8380 175.9727 1010 I 4.6215 8.2111 121.3539 60.6810 41.8377 172.7107 1011 G 4.3066 9.0332 118.0042 45.7051 0.0000 173.5099 1012 A 4.1096 8.6102 126.7223 55.4877 18.8213 179.0683 1013 Q 4.0964 8.1746 112.9497 58.5370 28.9234 177.6387 1014 K 4.4243 7.5113 121.5376 52.9819 32.1217 171.6862 1015 P 4.7910 0.0000 0.0000 62.6724 32.1402 175.3740 1016 Q 4.7653 8.8796 122.7504 54.1127 32.9832 173.8086 1017 Y 5.0017 8.6037 123.5638 56.9691 39.9843 173.9523 1018 D 4.2652 8.1905 125.1640 52.4334 45.5959 173.5630 1019 I 4.4491 7.0575 115.1539 58.9602 39.9418 174.7842 1020 W 4.6925 9.1386 128.4380 54.5703 32.6424 176.1859 1021 G 4.2493 9.2307 105.5386 45.8262 0.0000 173.9291 1022 N 4.2542 8.9737 117.9790 56.9503 38.7450 177.0000 1023 T 4.0202 8.0577 116.5956 66.9939 68.5643 176.2276 1024 V 3.6669 7.6959 119.0855 65.9774 31.5281 177.4138 1025 N 4.1927 8.2686 115.8643 56.6496 38.5076 177.1165 1026 V 3.5272 7.9399 118.9221 66.0617 31.4901 177.8104 1027 A 4.0636 7.9391 120.3294 55.2045 18.2997 179.5639 1028 S 3.0203 8.4695 111.8680 61.3232 62.3173 176.6613 1029 R 4.0296 8.0222 121.5570 58.0069 29.5571 177.8730 1030 M 4.3701 7.5042 116.4228 55.6982 32.5420 177.2532 1031 D 4.5253 7.4639 118.3459 57.0039 41.2233 178.3797 1032 S 4.0863 7.9799 114.1241 60.8358 63.1926 175.3015 1033 T 4.4454 7.5176 110.0021 61.2889 69.0070 175.7162 1034 G 4.0858 7.8169 113.3296 45.5946 0.0000 173.6057 1035 V 4.4883 8.0751 117.6801 60.4695 34.9233 176.2741 1036 L 4.1175 8.3331 125.2421 56.3752 41.9598 178.4265 1037 D 4.5377 8.5806 119.4811 54.7699 40.1337 174.1209 1038 K 4.5255 7.4366 118.1810 54.4967 34.5731 174.8103 1039 I 4.6322 8.0217 122.1647 60.0008 39.2549 174.1909 1040 Q 5.0253 9.5721 129.4467 54.5299 31.0534 174.7509 1041 V 5.3997 9.1140 119.4364 58.6291 36.1080 175.5335 1042 T 4.6489 8.2028 112.3808 60.6034 70.3030 175.3134 1043 E 3.6774 8.7893 121.3933 59.5824 29.5147 178.4970 1044 E 3.8907 8.0646 116.9003 59.6509 29.6499 179.0276 1045 T 3.9213 7.6196 116.2235 66.4797 68.4666 176.6196 1046 S 4.0299 8.1046 115.2709 61.0033 62.3971 176.1176 1047 L 3.8290 7.8027 121.9093 57.8302 41.4692 179.3225 1048 I 3.5729 7.4604 119.4640 64.6438 37.0536 178.4939 1049 L 4.2379 7.8403 119.3263 57.9559 41.4030 179.7721 1050 Q 4.5669 8.4062 119.7821 58.4650 28.4593 178.0005 1051 T 4.2350 7.4582 106.4629 62.3547 68.8061 174.6710 1052 L 4.5714 7.5448 118.6435 54.5312 43.0891 177.1935 1053 G 3.9020 8.2047 107.2122 44.9713 0.0000 173.0770 1054 Y 4.8210 8.3931 119.0705 57.2034 39.6110 175.0820 1055 T 4.6878 8.6814 113.8140 61.3104 71.1793 173.2589 1056 C 5.5318 8.5087 119.3484 58.9035 33.0301 173.3064 1057 T 4.8446 8.9666 115.7415 62.2448 72.8164 173.0352 1058 C 3.8044 8.6898 126.3429 59.0379 31.7153 173.3369 1059 R 3.8207 8.1625 127.6437 59.0435 30.1189 175.4417 1060 G 3.9007 7.5645 104.5822 44.2558 0.0000 172.3555 1061 I 4.8377 8.2415 124.3595 59.5239 39.4407 175.1943 1062 I 4.4439 8.6702 127.3668 59.4783 40.3125 174.4477 1063 N 5.0107 8.6563 124.8940 52.3183 39.5759 174.0107 1064 V 4.0379 8.3502 127.7699 61.2289 33.1871 175.2544 1065 K 4.0761 8.6277 129.3791 58.2378 32.1833 176.7679 1066 G 3.9995 9.1717 115.1441 45.2456 0.0000 173.0802 1067 K 4.3359 7.5734 117.4134 54.8694 34.1124 176.9373 1068 G 3.8532 8.1428 107.3723 45.2896 0.0000 172.5060 1069 D 5.1599 8.4540 118.2555 54.7442 41.6480 176.1788 1070 L 4.4075 8.5485 119.0398 54.7644 44.1405 173.5082 1071 K 4.7128 8.7970 123.8555 56.3424 32.9176 175.8495 1072 T 4.9967 8.5957 117.0615 60.1669 72.5112 172.4495 1073 Y 4.8405 8.7672 119.0810 56.2903 42.3929 174.9881 1074 F 5.1947 8.7830 122.1284 57.0975 40.7756 175.1744 1075 V 4.3072 8.3727 122.1733 62.7446 32.2448 175.2758 1076 N 5.0222 8.7439 124.1370 52.1335 41.0013 175.4536 1077 T 4.2676 8.3579 115.6494 64.0194 68.7940 175.1609 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 879 H 8.43 4.95 0.00 3.56 3.52 0.00 5.45 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 0.00 880 Q 8.48 4.77 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 881 S 9.34 5.32 0.00 3.98 3.98 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 Y 8.81 4.75 0.00 2.92 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 0.00 883 D 9.15 4.60 0.00 2.70 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 0.00 884 C 7.92 4.91 0.00 3.11 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 0.00 885 V 8.95 4.42 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 0.74 0.00 0.00 0.83 0.00 0.00 886 C 8.76 4.81 0.00 3.17 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 0.00 887 V 8.65 4.61 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 0.68 0.00 0.00 0.83 0.00 0.00 888 M 8.88 5.31 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 889 F 9.01 5.23 0.00 3.07 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 0.00 890 A 9.44 4.84 1.20 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 0.00 0.00 891 S 8.69 5.02 0.00 3.91 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 0.00 892 I 7.81 5.14 1.75 0.00 0.00 0.62 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 0.95 0.91 0.00 0.00 893 P 0.00 4.38 0.00 2.28 2.36 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 894 D 8.18 5.35 0.00 3.08 3.05 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 0.00 0.00 0.00 895 F 8.60 4.72 0.00 3.07 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 0.00 896 K 7.70 3.99 0.00 1.77 1.94 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.57 7.81 897 E 8.23 4.17 0.00 2.15 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 2.45 2.45 0.00 898 F 7.58 4.23 0.00 3.29 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 0.00 899 Y 7.74 3.78 0.00 2.68 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 0.00 900 T 7.52 4.35 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 1.05 0.00 0.00 901 E 8.23 4.27 0.00 1.80 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 2.18 1.80 0.00 902 S 8.07 4.80 0.00 3.90 3.52 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 0.00 0.00 0.00 903 D 8.49 4.59 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 904 V 8.05 3.56 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 0.78 0.00 0.00 0.90 0.00 0.00 905 N 8.33 4.74 0.00 2.91 2.91 0.00 0.00 7.11 6.02 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 0.00 906 K 8.51 4.06 0.00 1.98 1.90 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.54 7.81 907 E 8.72 4.19 0.00 2.11 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 2.24 2.29 0.00 908 G 8.74 3.79 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 0.00 0.00 0.00 909 L 7.80 4.07 0.00 1.95 1.69 0.97 0.96 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 0.00 910 E 7.81 4.03 0.00 1.97 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 2.36 2.52 0.00 911 C 8.08 4.66 0.00 3.42 3.37 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 0.00 912 L 7.86 4.15 0.00 1.99 1.84 1.11 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 913 R 8.48 3.99 0.00 1.93 2.19 0.00 3.14 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 914 L 8.29 3.93 0.00 1.96 1.99 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 915 L 8.18 3.56 0.00 1.61 1.78 0.18 0.18 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 0.00 916 N 8.57 4.13 0.00 2.97 2.95 0.00 0.00 7.28 7.52 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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 0.00 0.00 942 S 8.73 4.70 0.00 3.34 3.71 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 0.00 943 T 8.33 5.04 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 1.43 0.00 0.00 944 Y 9.46 4.64 0.00 3.10 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 0.00 945 M 8.24 4.83 0.00 1.93 1.33 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.92 0.00 946 A 8.60 4.94 0.95 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 0.00 0.00 947 A 8.29 5.15 1.01 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 0.00 0.00 948 T 8.72 4.75 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 1.13 0.00 0.00 949 G 8.93 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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3.02 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 0.00 985 A 8.06 3.98 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 0.00 986 I 8.02 3.69 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.65 0.95 0.00 0.00 987 N 8.37 4.31 0.00 2.90 2.97 0.00 0.00 6.18 6.74 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 0.00 988 K 7.37 3.63 0.00 1.55 1.74 0.00 1.58 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.19 1.28 7.81 989 H 7.56 4.31 0.00 3.07 3.28 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 990 S 7.72 4.65 0.00 4.07 4.09 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 0.00 991 F 7.46 3.77 0.00 3.16 3.10 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 0.00 992 N 7.93 4.86 0.00 2.69 2.48 0.00 0.00 6.71 9.11 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0.00 0.00 0.00 1.12 1.48 0.93 0.00 0.00 1001 N 9.21 5.48 0.00 2.79 2.63 0.00 0.00 6.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1002 H 9.48 5.39 0.00 3.19 3.22 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 G 7.89 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 0.00 0.00 0.00 1004 P 0.00 4.85 0.00 2.14 2.13 0.00 3.73 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 2.02 2.04 0.00 1005 V 8.13 4.85 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 0.71 0.00 0.00 0.80 0.00 0.00 1006 I 8.46 5.14 2.05 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 1.08 0.00 0.00 1007 A 10.50 4.99 1.15 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 1008 G 7.43 4.69 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 0.00 0.00 0.00 1009 V 8.20 5.17 2.21 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 1.11 0.00 0.00 1.07 0.00 0.00 1010 I 8.21 4.62 2.35 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 1.26 1.83 1.16 0.00 0.00 1011 G 9.03 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 1012 A 8.61 4.11 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 1013 Q 8.17 4.10 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.08 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 1014 K 7.51 4.42 0.00 1.68 1.70 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.43 7.81 1015 P 0.00 4.79 0.00 2.02 2.06 0.00 3.70 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 2.06 2.39 0.00 1016 Q 8.88 4.77 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.53 0.00 1017 Y 8.60 5.00 0.00 2.90 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 1018 D 8.19 4.27 0.00 2.41 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1019 I 7.06 4.45 1.57 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 0.88 0.47 0.40 0.00 0.00 1020 W 9.14 4.69 0.00 3.32 3.06 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 1021 G 9.23 4.25 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 0.00 1022 N 8.97 4.25 0.00 2.78 2.86 0.00 0.00 6.91 7.22 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 1023 T 8.06 4.02 4.29 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 1.30 0.00 0.00 1024 V 7.70 3.67 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 1.06 0.00 0.00 0.91 0.00 0.00 1025 N 8.27 4.19 0.00 2.94 2.86 0.00 0.00 6.72 7.68 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 1026 V 7.94 3.53 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 1.05 0.00 0.00 0.92 0.00 0.00 1027 A 7.94 4.06 1.60 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 0.00 0.00 1028 S 8.47 3.02 0.00 2.98 3.78 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 1029 R 8.02 4.03 0.00 1.93 1.91 0.00 3.27 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 1030 M 7.50 4.37 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 1031 D 7.46 4.53 0.00 2.90 2.74 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 1032 S 7.98 4.09 0.00 4.04 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 1033 T 7.52 4.45 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 1.23 0.00 0.00 1034 G 7.82 4.09 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 0.00 1035 V 8.08 4.49 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 0.74 0.00 0.00 1.00 0.00 0.00 1036 L 8.33 4.12 0.00 1.73 1.58 0.95 1.13 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 1037 D 8.58 4.54 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1038 K 7.44 4.53 0.00 1.70 1.50 0.00 1.31 0.00 0.00 1.50 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.30 0.90 7.81 1039 I 8.02 4.63 1.76 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.41 0.83 0.00 0.00 1040 Q 9.57 5.03 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.63 0.00 0.00 0.00 0.00 0.00 2.12 1.91 0.00 1041 V 9.11 5.40 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 0.94 0.00 0.00 0.99 0.00 0.00 1042 T 8.20 4.65 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 1043 E 8.79 3.68 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 1044 E 8.06 3.89 0.00 2.25 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 2.31 2.43 0.00 1045 T 7.62 3.92 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 1.25 0.00 0.00 1046 S 8.10 4.03 0.00 3.60 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1047 L 7.80 3.83 0.00 1.85 1.62 0.86 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 1048 I 7.46 3.57 1.85 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.68 0.75 0.00 0.00 1049 L 7.84 4.24 0.00 1.93 1.92 0.84 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 1050 Q 8.41 4.57 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 1051 T 7.46 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 1.23 0.00 0.00 1052 L 7.54 4.57 0.00 1.76 1.67 1.04 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 1053 G 8.20 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 1054 Y 8.39 4.82 0.00 3.08 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 1055 T 8.68 4.69 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 1.27 0.00 0.00 1056 C 8.51 5.53 0.00 2.87 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 1057 T 8.97 4.84 4.43 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 1.30 0.00 0.00 1058 C 8.69 3.80 0.00 2.57 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1059 R 8.16 3.82 0.00 0.82 1.51 0.00 3.10 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 1060 G 7.56 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 1061 I 8.24 4.84 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.52 0.88 0.00 0.00 1062 I 8.67 4.44 1.82 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 1.05 0.99 0.88 0.00 0.00 1063 N 8.66 5.01 0.00 2.83 2.73 0.00 0.00 6.97 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 1064 V 8.35 4.04 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 0.83 0.00 0.00 0.91 0.00 0.00 1065 K 8.63 4.08 0.00 1.74 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.44 7.81 1066 G 9.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1067 K 7.57 4.34 0.00 1.67 1.76 0.00 1.98 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.38 7.81 1068 G 8.14 3.85 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 0.00 0.00 0.00 1069 D 8.45 5.16 0.00 2.56 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 1070 L 8.55 4.41 0.00 1.69 1.69 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 1071 K 8.80 4.71 0.00 1.79 1.84 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.10 1.29 7.81 1072 T 8.60 5.00 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 1.20 0.00 0.00 1073 Y 8.77 4.84 0.00 2.80 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 1074 F 8.78 5.19 0.00 3.05 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 1075 V 8.37 4.31 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 0.71 0.00 0.00 0.92 0.00 0.00 1076 N 8.74 5.02 0.00 2.76 2.80 0.00 0.00 6.96 6.87 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 1077 T 8.36 4.27 4.29 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 1.19 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.