NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.4535 8.3349 117.0987 57.1506 64.7378 173.9289 0 M 4.1254 7.5170 118.0925 55.1654 32.9770 174.5976 *965 R 4.2626 8.3159 118.1748 55.9676 32.3299 174.8693 966 S 4.3689 8.4931 118.5255 57.4150 63.6053 172.5064 967 P 4.6500 0.0000 0.0000 62.8212 32.5940 175.5372 968 I 4.2894 8.9217 122.7591 60.5338 38.7476 174.7779 969 T 4.9229 8.4552 124.0321 62.2244 70.0141 174.2168 970 I 4.6836 8.8079 127.1145 59.5157 40.6792 174.5143 971 Q 5.4499 8.9027 124.3680 54.1021 31.5317 174.9123 972 R 4.7087 8.9502 120.2635 54.7461 31.3975 176.0931 973 S 4.5368 8.8589 116.0465 58.9048 64.5333 174.1967 974 G 4.4169 7.4406 109.1310 44.1018 0.0000 172.8304 975 K 4.0558 8.6378 117.8429 58.3461 32.4525 177.2438 976 K 4.5516 7.4331 115.6359 54.4473 35.7118 175.8602 977 Y 4.2685 8.2901 117.9013 59.1249 38.5001 176.1843 978 G 3.9894 9.0492 108.0970 45.8567 0.0000 172.5947 979 F 5.5141 7.7928 111.5082 55.4156 41.5597 173.7080 980 T 4.6480 9.3647 117.5074 61.9013 70.7945 173.0681 981 L 5.2721 8.6426 128.2039 53.4194 43.9494 175.1570 982 R 4.6286 9.3296 126.7034 54.4311 32.9438 174.1018 983 A 5.1751 8.3676 127.0534 50.5766 20.7096 176.3289 984 I 4.5377 8.8435 115.1038 59.0643 41.0574 174.5497 985 R 4.7363 8.4999 123.4612 55.0607 31.5407 175.8733 986 V 4.3289 8.8397 124.8855 61.3935 33.1631 174.3553 987 Y 4.7723 8.9355 128.2060 58.5111 39.5941 176.3225 988 M 4.3359 9.4424 123.6293 53.2657 32.4489 177.8546 989 G 3.8600 8.8624 116.8529 46.5119 0.0000 172.9112 990 D 4.8004 8.9787 123.1205 53.8218 40.8013 175.8435 991 T 4.4406 7.5345 110.4456 60.8258 70.2989 174.1617 992 D 4.9544 8.6552 121.4792 55.1879 41.2324 177.5829 993 V 4.1668 7.8527 120.8692 61.2192 32.5885 179.5343 994 Y 5.2437 7.9367 122.7839 54.4731 41.3199 174.2615 995 S 4.6905 8.9105 114.4884 56.4715 66.6143 173.0005 996 V 4.5516 8.1426 121.8903 62.5505 32.9788 174.3279 997 H 5.0356 9.2119 124.2209 54.1934 33.2531 172.4082 998 H 5.3243 8.7462 117.3617 54.4073 31.1228 172.7000 999 I 4.8842 8.7526 124.8192 58.9352 40.9439 174.9975 1000 V 4.4387 9.0796 129.3210 62.7575 31.2445 176.1194 1001 W 4.6477 9.5324 135.0000 60.3604 31.4801 175.8765 1002 H 4.8673 8.2338 117.2292 54.8448 32.9731 172.3808 1003 V 4.8446 7.9188 124.0057 60.8574 33.9772 174.7388 1004 E 4.1940 9.2762 128.7401 55.9345 30.4959 176.4617 1005 E 4.1019 8.8369 124.8912 58.1300 29.7427 177.5245 1006 G 3.9146 9.6623 113.5116 45.6157 0.0000 174.0146 1007 G 3.9890 7.8552 107.0710 43.0453 0.0000 172.9581 1008 P 4.3242 0.0000 0.0000 65.5902 31.2963 178.9535 1009 A 4.0270 8.2883 119.5055 55.1224 18.4346 179.4128 1010 Q 3.9055 8.0941 117.6028 59.4386 29.0042 177.9958 1011 E 3.9567 8.0445 118.7812 59.1767 29.7642 178.1931 1012 A 4.2272 7.8906 119.2179 53.1133 18.5568 178.1709 1013 G 3.9714 7.6371 105.1997 44.9104 0.0000 173.5868 1014 L 4.1234 7.6869 121.6004 54.6684 42.8523 175.9844 1015 C 4.8683 9.0596 122.4756 57.2745 31.4059 173.4981 1016 A 4.3206 8.3420 125.9476 53.4921 18.3552 177.7053 1017 G 4.0577 9.1716 111.7868 45.3702 0.0000 174.1267 1018 D 4.4999 8.0559 120.4607 54.4786 42.0874 175.4677 1019 L 5.0226 8.8562 122.8742 53.4433 44.1285 175.5637 1020 I 4.6955 8.7333 125.0151 60.7633 37.6142 175.7396 1021 T 4.4850 9.1664 117.9401 62.9310 70.8980 174.3557 1022 H 5.4429 8.0554 117.6361 54.1010 33.9743 172.8983 1023 V 4.5084 8.5118 120.9330 61.9074 33.1321 175.4989 1024 N 4.1486 10.2342 127.5700 54.4800 36.4057 175.9202 1025 G 3.8848 8.3232 104.2112 45.4997 0.0000 173.2876 1026 E 4.3577 7.9417 122.3514 53.9073 30.1651 173.7453 1027 P 4.6434 0.0000 0.0000 63.0765 32.1184 176.5244 1028 V 4.1332 8.2934 112.9153 61.0033 32.8424 174.8783 1029 H 3.9147 8.2138 119.8587 58.6710 29.6505 172.7067 1030 G 4.1553 8.7054 115.3171 45.9111 0.0000 173.7061 1031 M 4.1354 7.3820 117.5720 55.8717 32.7723 177.2793 1032 V 4.0769 8.3992 114.9720 60.6226 34.1081 176.9975 1033 H 4.0966 8.9239 120.4749 59.4400 29.6167 175.7039 1034 P 4.2633 0.0000 0.0000 65.7011 31.0445 178.1649 1035 E 3.9556 8.0699 118.3022 59.2535 29.4862 179.1807 1036 V 3.5343 7.5802 117.9450 65.8010 31.5067 178.2124 1037 V 3.5140 7.7273 118.0780 65.9558 31.2498 177.6080 1038 E 3.9297 8.2389 118.9839 59.2167 29.2418 178.7206 1039 L 3.9935 7.6746 118.0106 57.9063 41.8013 179.3615 1040 I 3.9917 7.8972 122.0530 64.9428 36.8068 179.0638 1041 L 4.1020 8.3327 123.8768 59.3612 40.5693 180.9859 1042 K 4.2348 8.2610 118.1363 58.7514 33.1351 178.7775 1043 S 4.2347 7.8488 115.2035 61.3023 62.4707 172.8659 1044 G 4.0915 7.9971 106.8595 44.5029 0.0000 173.6035 1045 N 4.7970 8.8255 120.5134 53.3634 39.8229 174.6174 1046 K 5.3479 7.9936 120.1048 54.8216 35.4958 175.6513 1047 V 4.6788 9.1494 125.0415 59.2871 35.5019 173.5392 1048 A 5.1247 9.2417 124.8136 50.3648 21.3588 175.7001 1049 V 4.7626 8.8900 116.4601 59.8878 35.1271 174.9112 1050 T 4.8424 8.7645 121.8886 62.3300 70.4062 174.0289 1051 T 5.2677 8.2538 115.3178 59.4144 72.3646 173.3998 1052 T 4.1555 8.3096 111.9767 60.9584 69.3164 172.9240 1053 P 4.4478 0.0000 0.0000 61.9721 32.1049 176.1758 1054 F 4.0643 8.7438 121.9464 59.1693 39.5737 174.5691 1055 E 4.5588 7.3883 125.3207 54.9924 33.2330 175.3813 1056 N 4.6902 8.2837 116.2901 53.3439 38.7748 173.5119 1057 T 4.4354 7.6804 113.6273 60.9855 68.5628 173.6765 1058 Q 4.6454 8.0746 124.6768 55.2857 31.2999 173.7493 1059 S 4.5624 8.1806 114.3271 56.7944 66.5884 173.7543 1060 L 4.3294 8.5421 125.1967 54.0866 42.0572 177.2945 1061 V 4.0104 8.2894 116.2786 61.4500 32.0090 175.5862 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 -1 S 8.33 4.45 0.00 3.65 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 M 7.52 4.13 0.00 2.11 2.11 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 2.62 2.57 0.00 *965 R 8.32 4.26 0.00 1.82 1.90 0.00 3.48 0.00 0.00 3.06 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 966 S 8.49 4.37 0.00 3.85 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 0.00 967 P 0.00 4.65 0.00 2.04 2.02 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 968 I 8.92 4.29 1.79 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.52 0.91 0.00 0.00 969 T 8.46 4.92 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 0.00 970 I 8.81 4.68 1.63 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.83 1.16 0.00 0.00 971 Q 8.90 5.45 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 972 R 8.95 4.71 0.00 1.54 1.52 0.00 2.62 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.29 0.00 973 S 8.86 4.54 0.00 3.86 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 0.00 974 G 7.44 4.42 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 0.00 975 K 8.64 4.06 0.00 1.70 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 976 K 7.43 4.55 0.00 1.63 1.61 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.35 7.81 977 Y 8.29 4.27 0.00 3.15 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 0.00 978 G 9.05 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 0.00 0.00 0.00 979 F 7.79 5.51 0.00 3.15 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 0.00 980 T 9.36 4.65 4.51 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 0.00 0.00 0.00 1.35 0.00 0.00 981 L 8.64 5.27 0.00 1.72 1.66 1.26 0.96 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 0.00 982 R 9.33 4.63 0.00 1.61 1.88 0.00 2.74 0.00 0.00 2.79 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.33 0.00 983 A 8.37 5.18 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 0.00 984 I 8.84 4.54 1.88 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 1.26 1.31 0.91 0.00 0.00 985 R 8.50 4.74 0.00 1.60 1.29 0.00 2.81 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.38 0.00 986 V 8.84 4.33 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 1.00 0.00 0.00 0.94 0.00 0.00 987 Y 8.94 4.77 0.00 2.92 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 0.00 988 M 9.44 4.34 0.00 1.66 1.98 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 989 G 8.86 3.86 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 0.00 0.00 0.00 990 D 8.98 4.80 0.00 2.67 2.67 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 0.00 991 T 7.53 4.44 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 1.29 0.00 0.00 992 D 8.66 4.95 0.00 2.79 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 0.00 993 V 7.85 4.17 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 0.74 0.00 0.00 0.93 0.00 0.00 994 Y 7.94 5.24 0.00 2.26 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 0.00 995 S 8.91 4.69 0.00 3.74 3.93 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 0.00 996 V 8.14 4.55 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 0.92 0.00 0.00 1.05 0.00 0.00 997 H 9.21 5.04 0.00 3.09 3.13 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 998 H 8.75 5.32 0.00 3.13 3.31 0.00 5.58 0.00 0.00 0.00 0.00 6.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 999 I 8.75 4.88 1.99 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 1.32 1.85 1.21 0.00 0.00 1000 V 9.08 4.44 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 0.95 0.00 0.00 0.87 0.00 0.00 1001 W 9.53 4.65 0.00 3.41 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 1002 H 8.23 4.87 0.00 3.31 3.23 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 V 7.92 4.84 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 0.91 0.00 0.00 0.95 0.00 0.00 1004 E 9.28 4.19 0.00 1.98 1.93 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 2.44 2.53 0.00 1005 E 8.84 4.10 0.00 1.96 1.93 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 2.33 2.38 0.00 1006 G 9.66 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 0.00 0.00 0.00 1007 G 7.86 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 0.00 0.00 0.00 1008 P 0.00 4.32 0.00 2.50 2.49 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 1009 A 8.29 4.03 1.50 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 0.00 0.00 1010 Q 8.09 3.91 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 1011 E 8.04 3.96 0.00 2.03 2.17 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 2.35 2.39 0.00 1012 A 7.89 4.23 1.38 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 0.00 0.00 0.00 1013 G 7.64 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 0.00 0.00 0.00 1014 L 7.69 4.12 0.00 1.45 1.55 0.68 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 1015 C 9.06 4.87 0.00 3.07 2.71 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 1016 A 8.34 4.32 1.14 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 0.00 0.00 1017 G 9.17 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 0.00 0.00 0.00 1018 D 8.06 4.50 0.00 2.66 2.57 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 1019 L 8.86 5.02 0.00 1.65 1.61 1.00 1.05 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 1020 I 8.73 4.70 1.95 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 1.23 0.52 0.99 0.00 0.00 1021 T 9.17 4.49 4.28 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 0.00 0.00 0.00 1.26 0.00 0.00 1022 H 8.06 5.44 0.00 3.07 3.18 0.00 5.75 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 1023 V 8.51 4.51 2.09 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 1.02 0.00 0.00 0.95 0.00 0.00 1024 N 10.23 4.15 0.00 2.84 2.86 0.00 0.00 7.11 7.89 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 1025 G 8.32 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 1026 E 7.94 4.36 0.00 2.04 1.97 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 2.27 2.24 0.00 1027 P 0.00 4.64 0.00 2.16 1.90 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 1028 V 8.29 4.13 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 0.72 0.00 0.00 1.02 0.00 0.00 1029 H 8.21 3.91 0.00 3.11 3.22 0.00 5.72 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 1030 G 8.71 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 0.00 0.00 0.00 1031 M 7.38 4.14 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.53 0.00 1032 V 8.40 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 0.90 0.00 0.00 0.98 0.00 0.00 1033 H 8.92 4.10 0.00 3.28 3.37 0.00 5.87 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 1034 P 0.00 4.26 0.00 2.30 2.30 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 1035 E 8.07 3.96 0.00 2.21 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 2.39 2.35 0.00 1036 V 7.58 3.53 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 0.93 0.00 0.00 0.63 0.00 0.00 1037 V 7.73 3.51 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 0.96 0.00 0.00 0.72 0.00 0.00 1038 E 8.24 3.93 0.00 2.24 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 0.00 2.30 2.39 0.00 1039 L 7.67 3.99 0.00 1.86 1.73 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 1040 I 7.90 3.99 2.05 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 1.46 0.82 1.07 0.00 0.00 1041 L 8.33 4.10 0.00 1.62 1.68 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 1042 K 8.26 4.23 0.00 1.90 2.04 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.71 1.46 7.81 1043 S 7.85 4.23 0.00 4.10 4.12 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 1044 G 8.00 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 1045 N 8.83 4.80 0.00 2.69 2.99 0.00 0.00 6.23 7.89 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 1046 K 7.99 5.35 0.00 1.77 1.67 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.48 7.81 1047 V 9.15 4.68 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 0.15 0.00 0.00 0.87 0.00 0.00 1048 A 9.24 5.12 1.22 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 0.00 0.00 0.00 1049 V 8.89 4.76 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 0.72 0.00 0.00 0.75 0.00 0.00 1050 T 8.76 4.84 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 1.18 0.00 0.00 1051 T 8.25 5.27 4.30 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 1.15 0.00 0.00 1052 T 8.31 4.16 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 1053 P 0.00 4.45 0.00 2.10 2.07 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 1054 F 8.74 4.06 0.00 2.97 2.99 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 1055 E 7.39 4.56 0.00 1.69 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 2.28 2.13 0.00 1056 N 8.28 4.69 0.00 2.73 2.59 0.00 0.00 5.96 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 1057 T 7.68 4.44 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 1.17 0.00 0.00 1058 Q 8.07 4.65 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.47 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 1059 S 8.18 4.56 0.00 3.80 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 1060 L 8.54 4.33 0.00 1.60 1.61 0.90 0.88 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 1061 V 8.29 4.01 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 0.70 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.