NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.5200 8.1749 117.3740 63.6670 70.0932 172.8469 2 T 4.6168 9.2643 122.3206 59.9491 71.9240 171.4706 3 I 5.1578 9.2450 120.7013 59.3658 41.4583 174.4312 4 V 4.6586 8.8892 116.9927 60.0226 36.7824 174.3394 5 G 4.5188 8.4381 107.6808 44.9813 0.0000 172.4953 6 V 4.6352 9.2128 124.1043 61.0724 34.9970 174.4492 7 K 4.9647 8.8253 127.0811 55.5093 33.6370 175.8824 8 F 5.0843 8.2398 117.3588 54.6094 41.1010 175.6571 9 N 4.2028 8.8601 118.7259 55.9474 36.9789 175.0158 10 N 4.8972 7.5319 115.8528 52.0872 40.5294 174.6057 11 G 3.5590 6.2999 104.4654 45.4284 0.0000 172.5647 12 V 5.0036 7.8760 119.7884 60.5240 34.4994 174.4726 13 V 4.7701 9.3192 122.2910 59.9836 34.7709 174.2867 14 I 5.1398 8.4426 115.3946 59.2875 40.5903 174.0491 15 A 4.9118 8.6314 124.1307 50.8895 23.1455 174.3368 16 A 5.5822 8.4916 118.8837 52.2186 22.4017 175.7063 17 D 4.8036 8.4751 119.6296 52.4323 41.6273 176.4625 18 T 4.8425 8.1522 106.1218 60.4306 70.4950 172.9219 19 R 4.6829 8.2645 122.6335 56.0029 31.1852 175.4873 20 S 5.0023 9.1046 121.1379 56.7282 65.2539 172.7215 21 T 5.1357 8.4171 115.0870 60.2517 72.5957 173.5043 22 Q 4.1547 9.0962 123.6837 54.1379 31.0483 175.3458 23 G 3.9419 8.8130 119.1973 46.2614 0.0000 171.0048 24 P 4.6403 0.0000 0.0000 62.3516 31.8991 175.2174 25 I 4.2801 7.3913 120.8737 59.7238 38.4813 175.0884 26 V 4.1403 8.2764 124.9816 62.5611 31.8055 175.5376 27 A 4.1418 8.9826 131.7723 54.4747 18.7446 176.9917 28 D 4.7933 7.7457 114.5606 52.5418 43.7732 175.9116 29 K 4.2286 8.7275 124.8051 57.8388 33.2093 176.6694 30 N 5.2685 8.6882 117.6694 52.4055 38.1428 172.8831 31 C 4.6757 8.8571 117.6466 57.4878 32.9696 173.9552 32 A 4.7114 8.3946 121.0180 50.4528 20.0826 176.7550 33 K 4.3405 8.7981 121.0088 56.5127 33.7744 175.8357 34 L 5.0581 7.7371 121.1614 53.7090 43.0250 175.4996 35 H 4.8976 9.5082 121.7170 53.8109 31.8644 173.5248 36 R 3.1663 7.9767 123.0748 54.9298 30.3446 175.8634 37 I 3.8941 8.1391 127.5047 63.3153 37.8274 176.1383 38 S 4.6157 7.2731 112.2370 55.6849 66.1408 172.7279 39 P 4.3246 0.0000 0.0000 65.5207 31.1799 177.9463 40 K 4.7493 8.1575 115.1941 55.9904 32.6887 175.3348 41 I 4.7932 8.0882 120.5283 59.7529 40.0458 174.5380 42 W 5.1169 9.0418 126.7435 54.9785 32.6074 174.8893 43 C 5.2787 9.5354 121.5530 57.8513 34.7018 172.4122 44 A 5.0925 9.3143 128.6765 50.6953 20.4388 176.0634 45 G 4.5712 9.0031 108.9878 44.3533 0.0000 171.7939 46 A 4.8361 9.6607 124.0717 49.8853 22.9074 174.7024 47 G 4.1548 8.8909 102.6143 44.5786 0.0000 175.4018 48 T 3.9824 9.0474 121.3547 63.2657 68.3237 174.6861 49 A 4.0090 8.9921 129.7111 55.5342 18.1591 178.8583 50 A 3.9687 7.9979 118.3019 55.3360 18.4772 179.5237 51 D 4.2245 7.9913 117.2242 57.6943 40.6592 178.8550 52 T 3.8385 8.0120 110.3367 64.5932 68.5863 176.2360 53 E 3.7136 8.0815 121.5948 58.8747 29.6765 178.5394 54 A 3.8891 8.1072 121.2006 55.2348 18.5355 180.0036 55 V 3.4034 7.7286 117.6551 65.1826 31.4354 178.4208 56 T 3.7785 7.5196 113.2322 64.9448 67.1043 176.2067 57 Q 3.9825 8.0788 120.0661 58.2610 28.7985 178.1013 58 L 3.8516 8.0607 121.7578 58.3453 42.2058 179.1724 59 I 3.7721 7.7343 119.8110 64.2262 37.0193 178.6035 60 G 3.6302 7.9213 106.3702 47.7958 0.0000 175.6328 61 S 4.0667 8.4071 115.8169 61.3768 62.4103 176.1305 62 N 4.3989 8.2285 119.0606 56.2422 38.1582 177.5787 63 I 3.7062 8.1772 121.9171 64.0266 37.1419 177.9950 64 E 3.9027 8.2687 120.2090 59.3948 29.5239 178.8942 65 L 4.0311 7.9293 118.9704 58.0009 41.6807 179.0375 66 H 4.1003 8.4934 118.3311 59.3303 29.8310 177.1180 67 S 4.2603 8.5422 115.3496 61.6236 61.9500 176.2513 68 L 4.0392 7.8272 120.5540 57.7490 41.4058 178.6111 69 Y 4.0569 7.9940 119.0722 60.6971 38.9748 177.4047 70 T 4.2404 8.4725 107.9589 61.3959 69.6004 174.4951 71 S 3.8146 8.0525 116.8543 59.7702 60.9854 171.9366 72 R 4.7717 7.6943 115.6839 54.0189 34.0944 175.2667 73 E 4.1746 8.5607 119.3013 55.6014 30.1162 175.7072 74 P 4.4793 0.0000 0.0000 62.7112 32.3418 175.9273 75 R 4.8566 8.1413 119.2491 54.1053 32.9080 177.3006 76 V 3.6065 9.1301 121.9712 66.4451 31.5029 179.0420 77 V 3.6160 7.8128 111.2712 64.2023 31.2115 178.6447 78 S 4.0996 8.1342 115.1318 61.3664 62.7038 176.3269 79 A 3.9392 7.9018 123.0207 54.9885 18.1728 179.2568 80 L 3.8683 8.1713 119.1029 58.3350 42.2116 179.0944 81 Q 3.9466 8.1441 119.4824 59.3900 28.8973 177.9043 82 M 4.0787 8.2713 119.9939 58.3573 31.9176 178.6230 83 L 4.0072 8.1318 119.4169 57.6243 41.8564 179.4760 84 K 3.9530 8.1335 118.5593 60.5424 32.3867 179.0855 85 Q 4.1943 8.2665 119.1060 58.5112 28.5281 178.2775 86 H 4.1986 8.0301 119.6492 59.3345 29.8282 177.0842 87 L 4.0462 8.1764 119.9992 57.9898 41.8062 179.1469 88 F 4.1157 8.7814 120.8041 61.1636 39.1336 176.9779 89 K 3.8928 7.9991 118.1711 59.1721 31.9747 177.0008 90 Y 4.2114 7.6564 115.4485 57.6351 38.5148 175.8472 91 Q 2.8774 7.7577 117.3940 56.9418 25.7790 176.1159 *93 G 3.9458 7.7419 104.8235 45.3728 0.0000 174.6751 94 H 4.1501 8.9743 118.0880 57.3775 28.8655 175.5297 95 I 4.2028 6.9402 120.8629 59.5217 37.1015 177.0991 96 G 4.0751 8.8402 118.3497 46.3208 0.0000 171.2315 97 A 5.0513 7.3154 119.6630 50.2681 22.1138 177.1790 98 Y 4.4917 8.9163 119.6718 56.2857 41.0513 174.6844 99 L 5.3378 8.6771 123.4586 52.8418 45.7441 176.5859 100 I 4.5360 9.0979 122.9932 59.7867 39.4051 174.7289 101 V 4.8905 8.4338 126.8708 60.0008 33.3514 174.9439 102 A 4.7396 9.6698 125.2725 49.9391 23.5239 174.9929 103 G 4.5770 7.6552 107.1027 45.0035 0.0000 172.1354 104 V 4.5561 7.7143 113.0385 59.5652 34.5600 176.1204 105 D 4.2711 8.4073 121.2599 53.8920 39.0097 175.0315 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 T 8.17 4.52 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 2 T 9.26 4.62 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 1.21 0.00 0.00 3 I 9.24 5.16 1.91 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 1.38 0.70 0.95 0.00 0.00 4 V 8.89 4.66 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 0.89 0.00 0.00 0.95 0.00 0.00 5 G 8.44 4.52 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 0.00 0.00 0.00 6 V 9.21 4.64 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 1.06 0.00 0.00 0.96 0.00 0.00 7 K 8.83 4.96 0.00 1.68 1.66 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.37 7.81 8 F 8.24 5.08 0.00 3.20 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 9 N 8.86 4.20 0.00 2.88 3.10 0.00 0.00 5.73 8.04 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 10 N 7.53 4.90 0.00 2.66 2.90 0.00 0.00 6.82 7.98 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 11 G 6.30 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 5.00 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 0.71 0.00 0.00 1.02 0.00 0.00 13 V 9.32 4.77 2.16 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 1.03 0.00 0.00 0.92 0.00 0.00 14 I 8.44 5.14 2.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.77 0.97 0.00 0.00 15 A 8.63 4.91 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 16 A 8.49 5.58 1.21 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 0.00 0.00 17 D 8.48 4.80 0.00 2.69 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 18 T 8.15 4.84 4.33 0.00 0.00 0.00 0.00 0.00 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 19 R 8.26 4.68 0.00 1.88 2.02 0.00 3.20 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 20 S 9.10 5.00 0.00 3.90 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 21 T 8.42 5.14 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 22 Q 9.10 4.15 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 5.57 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 23 G 8.81 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 24 P 0.00 4.64 0.00 2.18 2.15 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 25 I 7.39 4.28 2.02 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 1.18 0.45 0.91 0.00 0.00 26 V 8.28 4.14 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 0.86 0.00 0.00 0.93 0.00 0.00 27 A 8.98 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.75 4.79 0.00 2.67 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 0.00 0.00 0.00 0.00 29 K 8.73 4.23 0.00 1.79 1.84 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.42 1.42 7.81 30 N 8.69 5.27 0.00 2.67 2.68 0.00 0.00 7.14 8.30 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 31 C 8.86 4.68 0.00 3.05 3.26 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 0.00 32 A 8.39 4.71 1.26 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 0.00 0.00 0.00 33 K 8.80 4.34 0.00 1.74 2.03 0.00 1.85 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 34 L 7.74 5.06 0.00 1.60 1.88 0.97 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 35 H 9.51 4.90 0.00 3.04 3.09 0.00 5.60 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 36 R 7.98 3.17 0.00 0.67 1.15 0.00 3.10 0.00 0.00 2.97 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.50 0.00 37 I 8.14 3.89 1.96 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 1.27 0.59 0.85 0.00 0.00 38 S 7.27 4.62 0.00 3.92 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 39 P 0.00 4.32 0.00 2.12 2.28 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 40 K 8.16 4.75 0.00 1.86 1.85 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.51 7.81 41 I 8.09 4.79 1.87 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 1.28 0.86 1.01 0.00 0.00 42 W 9.04 5.12 0.00 3.28 3.22 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 43 C 9.54 5.28 0.00 2.93 2.76 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 44 A 9.31 5.09 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 45 G 9.00 4.57 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 0.00 0.00 0.00 46 A 9.66 4.84 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 47 G 8.89 4.15 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 0.00 48 T 9.05 3.98 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 1.22 0.00 0.00 49 A 8.99 4.01 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 50 A 8.00 3.97 1.31 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 51 D 7.99 4.22 0.00 2.93 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 52 T 8.01 3.84 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 1.32 0.00 0.00 53 E 8.08 3.71 0.00 2.21 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 0.00 2.29 2.33 0.00 54 A 8.11 3.89 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 55 V 7.73 3.40 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 0.76 0.00 0.00 0.82 0.00 0.00 56 T 7.52 3.78 4.41 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 1.13 0.00 0.00 57 Q 8.08 3.98 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 58 L 8.06 3.85 0.00 1.72 1.68 0.88 1.19 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 59 I 7.73 3.77 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.18 0.87 0.00 0.00 60 G 7.92 3.63 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 0.00 61 S 8.41 4.07 0.00 3.90 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 62 N 8.23 4.40 0.00 2.88 2.82 0.00 0.00 7.10 6.63 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 63 I 8.18 3.71 2.04 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 1.56 0.85 0.90 0.00 0.00 64 E 8.27 3.90 0.00 2.02 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 2.36 0.00 65 L 7.93 4.03 0.00 1.90 1.73 0.93 0.95 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 66 H 8.49 4.10 0.00 3.25 3.45 0.00 5.60 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 67 S 8.54 4.26 0.00 3.98 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 68 L 7.83 4.04 0.00 1.86 1.75 0.93 0.87 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 69 Y 7.99 4.06 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 70 T 8.47 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 1.17 0.00 0.00 71 S 8.05 3.81 0.00 4.04 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 72 R 7.69 4.77 0.00 1.76 1.79 0.00 3.23 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.84 0.00 73 E 8.56 4.17 0.00 1.98 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 2.33 2.29 0.00 74 P 0.00 4.48 0.00 2.05 1.99 0.00 3.65 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 2.04 2.13 0.00 75 R 8.14 4.86 0.00 1.84 1.86 0.00 3.15 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 76 V 9.13 3.61 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 1.13 0.00 0.00 1.07 0.00 0.00 77 V 7.81 3.62 2.07 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 0.86 0.00 0.00 0.93 0.00 0.00 78 S 8.13 4.10 0.00 4.03 3.82 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 79 A 7.90 3.94 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 80 L 8.17 3.87 0.00 1.84 1.86 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 8.14 3.95 0.00 2.39 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 82 M 8.27 4.08 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 83 L 8.13 4.01 0.00 1.89 1.71 0.93 0.71 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 84 K 8.13 3.95 0.00 2.02 2.16 0.00 1.26 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.57 7.81 85 Q 8.27 4.19 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.72 0.00 86 H 8.03 4.20 0.00 3.40 3.54 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 L 8.18 4.05 0.00 1.68 1.73 0.86 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 88 F 8.78 4.12 0.00 3.24 3.24 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 0.00 89 K 8.00 3.89 0.00 1.99 1.96 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.05 1.36 7.81 90 Y 7.66 4.21 0.00 2.99 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 91 Q 7.76 2.88 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.50 0.00 0.00 0.00 0.00 0.00 2.06 2.28 0.00 *93 G 7.74 3.95 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 0.00 94 H 8.97 4.15 0.00 3.27 3.40 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 6.94 4.20 1.78 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.31 0.80 0.00 0.00 96 G 8.84 4.08 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 0.00 0.00 0.00 97 A 7.32 5.05 1.11 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 0.00 0.00 98 Y 8.92 4.49 0.00 3.04 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 99 L 8.68 5.34 0.00 1.51 1.57 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 100 I 9.10 4.54 1.93 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 1.33 0.89 0.96 0.00 0.00 101 V 8.43 4.89 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 0.73 0.00 0.00 0.96 0.00 0.00 102 A 9.67 4.74 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.58 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 0.00 0.00 0.00 104 V 7.71 4.56 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 0.96 0.00 0.00 105 D 8.41 4.27 0.00 2.78 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 * Residues marked with a * may have inaccurate shift predictions.