NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.1523 8.3545 119.0729 56.2960 31.6441 175.2588 9 N 4.0165 8.5538 110.2306 54.7287 33.9876 171.5892 10 L 4.3155 8.0234 119.9199 54.7297 43.1295 178.8235 11 S 3.7661 7.8368 112.3191 60.2491 59.7716 178.3872 12 A 4.7907 7.8833 122.9084 53.0775 19.9629 178.0620 13 L 4.3279 7.7871 123.2715 58.3468 41.1098 184.7141 14 K 4.3397 8.0608 125.3349 61.2630 31.8154 185.0000 15 R 4.2155 8.0328 123.3924 62.2786 29.1775 181.4031 *16 H 4.7835 8.0958 119.0994 58.6384 28.3168 179.5179 17 R 4.5064 7.6021 122.8037 62.4405 29.8149 184.6949 18 Q 4.4013 8.8882 123.9447 62.0711 28.0515 181.7993 19 S 3.9618 8.3708 119.8802 62.4087 62.6218 179.1421 20 L 4.2222 7.9861 126.6845 60.4032 41.0219 182.4398 21 K 4.3300 8.3757 127.0717 60.0547 31.3783 181.2249 22 R 4.6326 9.7031 121.1614 60.6231 29.6286 183.7125 23 R 4.1862 8.4187 122.0893 62.7413 29.5289 184.4760 24 L 4.3144 8.0435 125.3226 60.3439 40.3775 181.2074 25 R 4.2105 7.8342 121.6718 62.1563 29.1619 181.8283 26 N 4.5730 9.1947 121.2054 58.5298 37.8624 180.5487 27 K 4.3995 8.4934 125.7354 59.4072 31.9937 180.6280 28 A 4.2356 8.0174 124.5405 55.3696 18.3586 180.4411 29 K 3.9708 7.8086 123.9390 61.2700 31.7418 181.0058 30 K 4.1155 8.4466 127.3445 59.9486 31.2939 181.9108 31 S 4.2431 8.5593 117.6975 63.2285 62.6054 178.6404 32 A 4.2231 8.3386 127.4270 55.5207 18.1007 180.1243 33 I 3.6869 8.3787 120.6607 66.4624 35.4959 180.2891 34 K 4.0597 8.5408 127.6193 60.8793 31.2644 181.1959 35 T 4.1483 8.5786 116.6992 67.0272 68.4841 178.7753 36 L 4.2652 8.4979 127.4993 60.8048 40.6665 181.7291 37 S 4.4222 8.7091 121.1816 63.0589 62.2667 178.6334 38 K 4.3006 8.7999 128.5139 60.6614 31.1782 181.8462 39 K 4.0884 8.3717 125.0067 59.7489 31.3458 180.8417 40 A 4.3596 8.0844 123.3850 55.9811 18.4497 179.3303 41 I 3.7952 8.9468 122.4063 63.1075 35.1237 184.4016 42 Q 3.6935 7.3646 121.6328 60.1536 29.8292 181.4646 43 L 4.1416 7.6234 122.6479 59.4436 40.6562 181.0274 44 A 4.2415 8.3030 123.7084 55.9205 18.4539 179.8297 45 Q 4.1844 8.2658 119.4751 61.3379 28.1155 181.0462 46 E 4.3882 8.2473 119.0736 61.3969 29.9523 179.4826 47 G 3.8350 8.1503 117.4088 45.8089 0.0000 173.2007 48 K 3.8926 7.7857 121.8992 54.3140 31.9553 181.8430 49 A 3.6755 9.1005 128.7880 55.3653 17.3855 179.6333 50 E 3.7975 9.2878 116.6781 58.7488 31.1697 182.7790 51 E 3.5001 8.0255 114.5402 58.4243 30.5146 181.2514 52 A 4.4052 8.2005 122.4845 54.7374 19.9360 180.2303 53 L 4.1141 8.9832 123.1584 59.9507 40.6658 184.0824 54 K 4.1338 8.2636 127.1759 60.6985 31.5176 181.3287 55 I 4.0928 7.5647 122.4275 65.7552 34.9024 180.0025 56 M 4.2371 8.1217 123.4836 61.0496 30.9788 181.8087 57 R 4.0582 8.3719 122.3270 62.2771 29.6417 181.0772 58 K 4.2523 8.0746 121.9941 60.4934 31.7851 180.4713 59 A 4.0811 9.0643 122.6729 56.0145 17.7695 180.2029 60 E 3.9022 9.8279 117.7036 62.4140 30.1322 182.0912 61 S 4.4180 9.5425 123.3455 63.2551 62.0099 179.8946 62 L 4.0932 8.5977 126.5933 59.9727 41.3405 181.5538 63 I 3.7897 8.2262 121.5826 65.9283 35.0858 179.2345 64 D 4.9097 7.3772 126.4004 59.0528 39.8769 182.2052 65 K 4.1910 8.0889 122.2656 60.3660 31.7437 184.2715 66 A 4.2424 8.8976 123.3954 54.7424 18.1825 179.6149 67 A 4.0991 8.7947 122.3111 55.5079 18.1553 180.2710 68 K 4.0293 7.8510 122.0472 58.3314 31.8853 181.0735 69 G 3.7232 7.9138 106.8908 47.1455 0.0000 176.1802 70 S 4.5926 8.8532 115.4061 58.4371 64.5011 179.0794 71 T 4.2364 7.9628 119.1066 64.4150 68.7101 178.7040 72 L 4.4681 7.8679 120.7055 56.0179 43.9632 179.2782 *73 H 3.8501 8.9281 115.3749 55.4489 27.6274 177.0629 74 K 3.5632 8.2181 118.5135 58.8995 29.9963 172.3644 75 N 5.3131 8.5578 114.9535 54.0083 37.5617 174.3288 76 A 4.1856 8.0105 123.1448 54.9838 18.6410 178.9547 77 A 4.6853 7.3465 117.6713 51.9599 18.9827 177.7154 78 A 4.5460 8.1062 125.3782 54.0926 20.2354 179.8810 79 R 4.2426 8.0640 120.3490 62.1345 29.6472 183.9664 80 R 3.6994 7.8956 118.2479 61.5560 30.0345 181.0013 81 K 3.9592 8.4830 122.2264 61.2748 31.8098 181.2273 82 S 4.4288 8.0120 122.5036 64.3342 62.9501 179.3996 83 R 4.3594 9.3832 126.9216 62.1383 29.1007 181.3544 84 L 4.3142 8.6831 125.5167 60.0790 40.7465 181.9694 85 M 4.5211 8.5272 119.0785 58.4151 31.1847 178.9118 86 R 4.7568 8.4145 121.6985 60.9965 32.0734 182.7017 87 K 4.3687 8.1806 126.1410 61.3453 31.7194 181.2619 88 V 4.0710 8.2722 123.3727 64.7830 31.1268 180.6677 89 R 4.1817 7.9127 124.7636 62.4238 30.1328 181.1353 90 Q 4.4388 9.0867 125.2480 60.5040 27.9780 180.8320 91 L 4.5263 8.7289 126.0438 58.2990 41.1262 180.3119 92 L 5.0788 8.0327 123.4366 57.8705 42.5187 182.4943 93 E 4.9140 8.0056 113.5548 56.4890 31.2890 178.4035 94 A 4.5831 7.5547 117.8668 52.1689 19.1836 176.9027 95 A 3.6423 8.1346 127.5663 52.5208 16.0551 177.1902 96 G 3.7433 8.1019 106.0287 46.7207 0.0000 169.0720 97 A 3.4051 8.2979 129.8630 51.3334 15.4776 174.4519 98 P 4.3379 0.0000 0.0000 63.4697 30.0791 176.5623 99 L 4.0132 8.5974 127.7468 57.0909 40.9050 177.4037 100 I 4.0538 7.9471 117.0620 60.1311 35.9961 178.1615 101 G 4.0713 7.5969 104.7103 45.6767 0.0000 175.0377 102 G 3.7496 8.1627 104.6943 48.1057 0.0000 177.3750 103 G 3.9326 9.2133 111.3660 45.0934 0.0000 176.3683 104 L 4.4493 7.5536 121.3193 52.7542 42.7283 175.6043 105 S 4.1385 8.3317 118.0974 58.2461 62.0199 174.7160 106 A 4.3747 8.3644 128.1901 51.4278 18.9229 176.7423 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 8 R 8.35 4.15 0.00 1.85 1.82 0.00 3.39 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 9 N 8.55 4.02 0.00 2.95 2.73 0.00 0.00 6.50 6.90 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 10 L 8.02 4.32 0.00 1.66 1.59 0.92 0.92 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 11 S 7.84 3.77 0.00 3.73 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 12 A 7.88 4.79 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 13 L 7.79 4.33 0.00 1.67 1.68 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.06 4.34 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.07 7.81 15 R 8.03 4.22 0.00 1.83 1.97 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 *16 H 8.10 4.78 0.00 3.01 3.00 0.00 7.16 0.00 0.00 0.00 0.00 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.60 4.51 0.00 1.92 1.86 0.00 3.24 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 18 Q 8.89 4.40 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.46 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 19 S 8.37 3.96 0.00 3.78 3.76 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 20 L 7.99 4.22 0.00 1.64 1.74 0.92 0.79 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 21 K 8.38 4.33 0.00 1.76 1.88 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.35 7.81 22 R 9.70 4.63 0.00 1.81 1.95 0.00 3.24 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 23 R 8.42 4.19 0.00 1.76 1.96 0.00 3.24 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 24 L 8.04 4.31 0.00 1.64 1.71 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.83 4.21 0.00 1.86 1.89 0.00 3.26 0.00 0.00 3.20 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 26 N 9.19 4.57 0.00 2.70 2.86 0.00 0.00 7.31 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 27 K 8.49 4.40 0.00 1.74 1.84 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.39 7.81 28 A 8.02 4.24 1.36 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 0.00 0.00 0.00 29 K 7.81 3.97 0.00 1.80 1.83 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 30 K 8.45 4.12 0.00 1.78 1.76 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.34 7.81 31 S 8.56 4.24 0.00 3.75 3.89 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 32 A 8.34 4.22 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 33 I 8.38 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.69 0.91 0.00 0.00 34 K 8.54 4.06 0.00 1.74 1.81 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.36 7.81 35 T 8.58 4.15 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 36 L 8.50 4.27 0.00 1.62 1.73 0.92 0.88 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 37 S 8.71 4.42 0.00 3.65 3.72 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 38 K 8.80 4.30 0.00 1.74 1.88 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.36 7.81 39 K 8.37 4.09 0.00 1.73 1.86 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.34 7.81 40 A 8.08 4.36 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 41 I 8.95 3.80 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.91 0.00 0.00 42 Q 7.36 3.69 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.05 0.00 43 L 7.62 4.14 0.00 1.68 1.69 0.92 1.01 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 44 A 8.30 4.24 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 45 Q 8.27 4.18 0.00 2.16 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.97 0.00 0.00 0.00 0.00 0.00 2.29 2.02 0.00 46 E 8.25 4.39 0.00 2.05 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 0.00 2.26 2.21 0.00 47 G 8.15 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 0.00 0.00 0.00 48 K 7.79 3.89 0.00 1.79 1.70 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.03 7.81 49 A 9.10 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.29 3.80 0.00 1.90 1.96 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 2.33 1.92 0.00 51 E 8.03 3.50 0.00 1.89 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 2.33 1.93 0.00 52 A 8.20 4.41 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.98 4.11 0.00 1.62 1.68 0.92 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.26 4.13 0.00 1.75 1.88 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.11 7.81 55 I 7.56 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 56 M 8.12 4.24 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 57 R 8.37 4.06 0.00 1.83 1.94 0.00 3.26 0.00 0.00 3.20 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 58 K 8.07 4.25 0.00 1.79 1.85 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.36 7.81 59 A 9.06 4.08 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 60 E 9.83 3.90 0.00 2.00 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 2.25 2.25 0.00 61 S 9.54 4.42 0.00 3.65 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.60 4.09 0.00 1.66 1.67 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.23 3.79 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.91 0.00 0.00 64 D 7.38 4.91 0.00 2.69 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 65 K 8.09 4.19 0.00 1.77 1.83 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.32 7.81 66 A 8.90 4.24 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 67 A 8.79 4.10 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 68 K 7.85 4.03 0.00 1.88 1.77 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.36 7.81 69 G 7.91 3.72 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 0.00 0.00 0.00 70 S 8.85 4.59 0.00 3.59 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 0.00 71 T 7.96 4.24 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 72 L 7.87 4.47 0.00 1.60 1.53 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 *73 H 8.93 3.85 0.00 2.91 3.02 0.00 7.37 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.22 3.56 0.00 1.79 1.59 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 0.98 7.81 75 N 8.56 5.31 0.00 2.64 2.79 0.00 0.00 6.52 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 76 A 8.01 4.19 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.35 4.69 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 78 A 8.11 4.55 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 79 R 8.06 4.24 0.00 1.83 1.87 0.00 3.29 0.00 0.00 3.37 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 80 R 7.90 3.70 0.00 1.82 1.80 0.00 3.26 0.00 0.00 3.37 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.32 0.00 81 K 8.48 3.96 0.00 1.75 1.77 0.00 1.79 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.12 7.81 82 S 8.01 4.43 0.00 3.73 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 83 R 9.38 4.36 0.00 1.81 1.99 0.00 3.24 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 84 L 8.68 4.31 0.00 1.59 1.71 0.92 1.03 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 85 M 8.53 4.52 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.43 0.00 86 R 8.41 4.76 0.00 1.71 1.86 0.00 3.28 0.00 0.00 3.20 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 87 K 8.18 4.37 0.00 1.78 1.89 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.38 7.81 88 V 8.27 4.07 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 0.75 0.00 0.00 0.93 0.00 0.00 89 R 7.91 4.18 0.00 1.90 1.90 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.32 0.00 90 Q 9.09 4.44 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 91 L 8.73 4.53 0.00 1.67 1.61 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.03 5.08 0.00 1.71 1.55 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 93 E 8.01 4.91 0.00 1.98 1.80 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 0.00 2.14 2.08 0.00 94 A 7.55 4.58 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 95 A 8.13 3.64 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.10 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 97 A 8.30 3.41 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.34 0.00 2.01 2.01 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 2.03 1.59 0.00 99 L 8.60 4.01 0.00 1.66 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.95 4.05 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.57 0.91 0.00 0.00 101 G 7.60 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.16 3.75 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 0.00 0.00 0.00 103 G 9.21 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 0.00 0.00 0.00 104 L 7.55 4.45 0.00 1.62 1.42 0.92 0.85 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 0.00 105 S 8.33 4.14 0.00 3.62 3.77 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 0.00 106 A 8.36 4.37 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 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.