NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3568 0.0000 0.0000 62.4783 32.5191 176.7575 6 T 3.9522 8.2050 114.1455 60.6847 70.7275 173.7931 7 I 3.6306 8.3565 121.7122 64.5496 37.6014 179.0044 8 N 4.1791 8.2479 117.2655 57.1329 38.6149 176.4735 9 Q 3.9819 8.2823 119.0554 59.0835 28.4783 178.6831 10 L 3.9663 8.1586 120.2871 57.8872 41.4344 179.6327 11 V 3.6568 8.1280 117.2156 66.3994 31.5851 177.6301 12 R 3.9512 8.1597 116.7879 58.5383 29.5803 178.1408 13 K 3.6194 7.0809 123.2474 56.6686 33.5087 178.4787 14 G 4.0921 7.8983 105.8751 45.7973 0.0000 173.1336 15 R 4.1046 8.0911 118.5300 55.7228 30.8395 175.7434 16 E 4.5545 8.3492 121.2591 53.9754 31.2190 175.6150 17 K 4.0999 8.4961 127.6729 55.9843 32.3069 176.1804 18 V 3.2367 7.7650 119.1719 61.2458 31.9831 171.9221 19 R 3.8324 7.9214 134.0578 55.8195 29.6752 176.0118 20 K 4.6002 8.3144 123.5842 54.9410 35.0953 175.7623 21 K 4.3236 8.1199 118.7530 55.0159 33.2693 176.9310 22 S 4.1439 8.4418 116.8690 58.0487 62.1695 174.2048 23 K 3.9450 8.6126 128.7131 57.6963 31.9440 176.7440 24 V 4.0029 7.4359 115.1794 62.7264 33.0066 170.9795 25 P 4.5909 0.0000 0.0000 61.7517 30.4196 175.5659 26 A 4.4765 8.0812 132.6714 52.6470 20.1316 178.9352 27 L 3.6822 6.8641 121.9447 56.5961 40.8111 174.0429 28 K 4.5100 8.6267 116.7010 61.0037 30.1953 177.9398 29 G 3.6082 7.9931 110.2759 46.5608 0.0000 171.7001 30 A 4.6632 7.3804 124.5607 49.7689 21.3707 175.4662 31 P 3.9502 0.0000 0.0000 65.4974 31.5305 176.0871 32 F 5.0899 7.4415 112.5257 56.5019 43.3534 173.7927 33 R 4.7040 8.7986 119.4857 54.8498 33.6230 174.7970 34 R 4.8832 8.7589 125.9750 54.8149 32.5890 174.7527 35 G 4.3410 7.5804 110.1912 46.2497 0.0000 171.5948 36 V 4.6517 7.8642 120.7508 61.4042 33.6394 175.1024 37 C 4.6239 8.6446 125.4056 59.8470 27.3338 173.4593 38 T 3.9956 8.4234 120.2091 64.7085 67.6439 174.5285 39 V 4.4896 7.5312 118.7119 61.6390 35.6523 174.0514 40 V 4.8504 8.2213 123.9324 60.9508 31.9559 175.7963 41 R 4.4930 8.0779 133.8805 55.6417 28.9947 178.6984 42 T 4.4817 7.7427 103.0572 62.3403 68.4907 173.8921 43 V 4.2232 7.7754 122.6428 60.5989 34.2708 174.3838 44 T 4.9095 8.0772 109.7577 58.4916 71.4920 172.1638 45 P 4.2378 0.0000 0.0000 62.8971 32.5308 175.3108 46 K 4.4191 8.5713 120.2048 57.4695 33.1989 177.6982 47 K 4.3060 6.5567 112.1234 56.0832 34.9093 174.4272 48 P 4.7805 0.0000 0.0000 62.3773 32.1872 174.4503 49 N 4.9553 7.8650 116.3085 52.0292 40.7733 174.1630 50 S 4.4558 8.2079 112.8878 56.0291 65.6408 173.2402 51 A 4.2780 7.4635 128.2858 52.8747 22.0103 175.1823 52 L 5.2245 7.8488 113.9755 51.9459 41.6833 177.0695 53 R 4.1263 7.7593 118.8834 57.0737 32.0179 177.3301 54 K 4.4464 8.7892 121.9574 55.3875 33.7072 175.7615 55 V 4.8642 8.4042 124.3115 61.0966 35.5889 173.9756 56 A 4.8202 8.9293 125.9097 50.3897 22.8469 175.8875 57 K 4.6948 8.9121 122.2476 56.2043 34.0754 176.4394 58 V 4.8267 9.1318 123.2666 61.2393 35.3576 174.1524 59 R 4.6714 9.5651 129.9806 55.8119 30.6606 175.9962 60 L 4.8635 10.1954 127.2653 54.0431 42.6996 177.7134 61 T 4.0066 8.2466 110.6684 65.2253 68.6471 178.8375 62 S 4.3126 7.9933 119.2733 57.5720 61.8604 174.6940 63 G 3.9751 8.2659 105.9181 47.7378 0.0000 173.4234 64 Y 4.4631 7.8256 116.9071 57.2528 39.9296 174.3865 65 E 5.5147 8.3103 121.3686 54.3581 32.4515 174.6543 66 V 4.7463 8.2070 118.7826 59.8856 36.9301 173.9196 67 T 4.7557 8.5500 112.5481 61.5026 69.6855 173.9152 68 A 5.1279 9.3254 126.8724 50.2961 23.0121 174.8658 69 Y 4.9123 9.3412 122.3598 57.0071 41.1039 174.1926 70 I 4.5468 5.9236 120.5955 58.8074 40.3782 174.6464 71 P 4.0959 0.0000 0.0000 61.9733 32.5037 175.5248 72 G 3.6243 7.9788 105.9097 46.8896 0.0000 172.2357 73 E 4.0966 8.6064 118.0766 56.6117 30.1129 176.9840 74 G 3.9916 8.5348 115.3488 45.5392 0.0000 172.5519 75 H 4.5532 8.0658 111.4486 56.6733 31.4434 174.4706 76 N 4.5046 8.4082 110.6832 51.5859 37.0853 174.2471 77 L 4.5082 7.7907 118.2670 54.7118 43.4889 176.3763 78 Q 4.6957 8.8965 121.3405 53.4038 31.7502 176.1791 79 E 4.0236 8.7946 119.5350 59.3774 29.5295 176.6647 80 H 4.9933 7.7909 113.8541 56.0753 30.8210 173.1636 81 S 4.4963 8.4309 115.6195 57.8939 64.1917 174.2118 82 V 4.1917 8.4854 125.4494 63.1218 32.7915 174.9574 83 V 4.8533 8.8708 125.7739 61.8994 35.9761 172.0874 84 L 5.1052 8.6046 125.8025 53.4699 44.3109 174.8049 85 I 4.6541 8.8394 127.9471 60.6132 38.2068 176.4351 86 R 4.4764 9.8735 128.5020 56.5757 31.3754 175.2654 87 G 3.7964 10.4392 107.8080 45.6593 0.0000 171.6054 88 G 4.0259 7.9825 107.8140 44.9934 0.0000 171.0818 89 R 4.1754 8.7552 123.7140 55.5222 30.3429 177.0152 90 V 4.1642 7.4679 118.8751 62.2052 30.3149 174.5703 91 K 4.5710 7.1705 124.9333 54.3770 32.3223 175.0266 92 D 5.5498 7.8820 132.9908 54.2906 42.8120 175.9677 93 L 4.6896 6.8798 118.3389 52.8919 44.5438 173.9101 94 P 4.3332 0.0000 0.0000 64.1434 31.8445 175.6718 95 G 4.2503 9.2556 118.7062 45.7001 0.0000 173.1033 96 V 3.5847 6.9435 126.4098 63.0564 31.1944 175.6941 97 R 4.5047 8.6870 124.3673 55.6722 32.2832 174.6498 98 Y 5.1168 7.8841 116.0258 57.1628 42.6043 173.7950 99 H 5.2692 9.2805 119.5366 54.5954 31.9886 173.5976 100 I 4.7212 7.8740 121.1237 59.7734 38.3436 175.8901 101 V 3.6602 8.9856 127.8013 62.9835 30.1141 176.0904 102 R 3.9430 8.6452 127.4383 57.0124 30.5401 177.0167 103 G 4.2019 8.6724 105.6646 45.4964 0.0000 173.5996 104 V 4.2886 6.7555 117.4722 61.6329 35.4913 175.8441 105 Y 4.0193 7.8392 122.5423 59.7713 36.7734 173.5820 106 D 4.4610 9.2953 127.9015 56.9249 40.8039 176.2744 107 A 4.0278 8.4692 124.4227 51.8541 18.6527 176.1916 108 A 4.5026 8.2864 127.3305 50.5455 20.0617 177.2274 109 G 3.9423 8.4746 109.8346 46.3909 0.0000 172.4110 110 V 4.1872 7.8251 119.9733 61.8142 32.2911 175.5374 111 K 4.0505 8.6705 129.6537 56.8195 32.7060 176.1112 112 D 4.5294 8.8974 125.4600 54.9578 38.2612 173.6852 113 R 4.1915 7.8810 119.2168 56.1203 30.6156 176.1861 114 K 4.6533 8.4171 121.7930 56.3155 35.6051 176.6775 115 K 4.7260 7.3884 123.1882 55.1921 30.3951 180.1119 116 S 4.1104 8.7325 126.4925 60.0963 62.6273 173.7381 117 R 4.5607 8.3002 121.9710 55.3106 32.7269 177.5206 118 S 4.0952 8.4298 111.7473 61.1041 62.0858 174.7318 119 K 4.3267 7.8312 119.0132 57.4747 32.6506 177.0300 120 Y 3.7225 8.8796 119.1987 57.8246 35.0290 169.8579 121 G 3.8031 7.7877 106.6204 46.6471 0.0000 174.1812 122 T 4.3414 7.4065 118.2627 61.6724 69.4947 175.8161 123 K 4.0026 8.4521 125.8633 56.0587 32.7055 176.7269 124 K 4.0764 8.4131 123.4574 55.3535 31.9441 175.1558 125 P 4.4806 0.0000 0.0000 62.3969 32.1796 175.4293 126 K 4.4877 8.2222 120.0223 55.2457 33.5070 176.1375 127 E 4.1725 8.7660 122.9074 56.0401 30.7203 175.9181 128 A 3.5474 7.8505 120.3866 52.8889 16.1369 176.4487 *129 A 4.1172 7.7606 127.0682 52.7275 18.9464 177.1712 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 5 P 0.00 4.36 0.00 2.19 2.14 0.00 3.74 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 1.88 1.96 0.00 6 T 8.20 3.95 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 7 I 8.36 3.63 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 1.52 1.08 0.91 0.00 0.00 8 N 8.25 4.18 0.00 2.75 2.84 0.00 0.00 7.06 7.20 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 9 Q 8.28 3.98 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 10 L 8.16 3.97 0.00 1.78 1.73 0.92 0.68 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 11 V 8.13 3.66 2.32 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 0.83 0.00 0.00 0.99 0.00 0.00 12 R 8.16 3.95 0.00 2.01 1.77 0.00 3.24 0.00 0.00 3.22 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 13 K 7.08 3.62 0.00 1.86 1.77 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.45 7.81 14 G 7.90 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 15 R 8.09 4.10 0.00 1.81 1.87 0.00 3.34 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.35 4.55 0.00 1.90 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 2.20 2.26 0.00 17 K 8.50 4.10 0.00 1.75 1.69 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.40 7.81 18 V 7.76 3.24 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 0.72 0.00 0.00 0.93 0.00 0.00 19 R 7.92 3.83 0.00 1.95 2.01 0.00 3.21 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 20 K 8.31 4.60 0.00 1.88 1.77 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.36 7.81 21 K 8.12 4.32 0.00 1.75 1.78 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.48 7.81 22 S 8.44 4.14 0.00 3.83 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 23 K 8.61 3.94 0.00 1.72 1.76 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.39 7.81 24 V 7.44 4.00 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 0.88 0.00 0.00 0.56 0.00 0.00 25 P 0.00 4.59 0.00 2.30 2.15 0.00 4.01 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 26 A 8.08 4.48 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 27 L 6.86 3.68 0.00 1.75 1.63 0.53 0.67 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 28 K 8.63 4.51 0.00 1.74 1.72 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 29 G 7.99 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.38 4.66 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 31 P 0.00 3.95 0.00 2.04 1.89 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 32 F 7.44 5.09 0.00 2.93 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 33 R 8.80 4.70 0.00 1.89 1.69 0.00 3.25 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 34 R 8.76 4.88 0.00 2.01 1.78 0.00 2.75 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.44 0.00 35 G 7.58 4.34 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 0.00 36 V 7.86 4.65 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 0.89 0.00 0.00 37 C 8.64 4.62 0.00 3.05 2.90 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 38 T 8.42 4.00 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 1.31 0.00 0.00 39 V 7.53 4.49 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 0.88 0.00 0.00 0.92 0.00 0.00 40 V 8.22 4.85 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 0.88 0.00 0.00 0.95 0.00 0.00 41 R 8.08 4.49 0.00 1.91 1.65 0.00 3.36 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 42 T 7.74 4.48 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 43 V 7.78 4.22 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 0.84 0.00 0.00 0.96 0.00 0.00 44 T 8.08 4.91 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 1.22 0.00 0.00 45 P 0.00 4.24 0.00 2.21 2.07 0.00 3.61 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 46 K 8.57 4.42 0.00 1.84 1.66 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.34 7.81 47 K 6.56 4.31 0.00 1.78 1.75 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.47 7.81 48 P 0.00 4.78 0.00 2.18 2.09 0.00 3.78 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 1.87 1.94 0.00 49 N 7.86 4.96 0.00 2.73 2.77 0.00 0.00 6.58 7.64 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 50 S 8.21 4.46 0.00 3.76 3.68 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 0.00 0.00 0.00 0.00 51 A 7.46 4.28 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 52 L 7.85 5.22 0.00 1.62 1.62 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.76 4.13 0.00 1.87 2.09 0.00 3.24 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 54 K 8.79 4.45 0.00 1.56 1.57 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.43 7.81 55 V 8.40 4.86 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 1.16 0.00 0.00 1.07 0.00 0.00 56 A 8.93 4.82 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 57 K 8.91 4.69 0.00 1.75 1.73 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.40 7.81 58 V 9.13 4.83 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 0.87 0.00 0.00 0.97 0.00 0.00 59 R 9.57 4.67 0.00 1.88 1.79 0.00 3.18 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 60 L 10.20 4.86 0.00 1.62 1.56 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 61 T 8.25 4.01 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 1.23 0.00 0.00 62 S 7.99 4.31 0.00 3.79 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 63 G 8.27 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 0.00 0.00 0.00 64 Y 7.83 4.46 0.00 2.87 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 65 E 8.31 5.51 0.00 1.89 1.74 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 2.17 2.18 0.00 66 V 8.21 4.75 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 0.85 0.00 0.00 0.67 0.00 0.00 67 T 8.55 4.76 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 1.25 0.00 0.00 68 A 9.33 5.13 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 69 Y 9.34 4.91 0.00 2.88 2.66 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 0.00 0.00 0.00 0.00 70 I 5.92 4.55 1.45 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 1.06 0.51 0.68 0.00 0.00 71 P 0.00 4.10 0.00 1.40 1.57 0.00 3.56 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.00 0.00 72 G 7.98 3.62 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 0.00 0.00 0.00 73 E 8.61 4.10 0.00 2.01 1.92 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 2.34 2.36 0.00 74 G 8.53 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 75 H 8.07 4.55 0.00 3.18 3.14 0.00 5.57 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 76 N 8.41 4.50 0.00 2.74 2.80 0.00 0.00 5.83 7.79 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 77 L 7.79 4.51 0.00 1.73 1.66 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 8.90 4.70 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.73 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 79 E 8.79 4.02 0.00 1.95 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 2.29 2.53 0.00 80 H 7.79 4.99 0.00 2.96 3.22 0.00 5.94 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.43 4.50 0.00 3.79 3.80 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 0.00 0.00 0.00 82 V 8.49 4.19 2.30 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 0.62 0.00 0.00 0.87 0.00 0.00 83 V 8.87 4.85 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 0.84 0.00 0.00 0.98 0.00 0.00 84 L 8.60 5.11 0.00 1.74 1.42 0.46 1.12 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 85 I 8.84 4.65 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.77 0.96 0.00 0.00 86 R 9.87 4.48 0.00 2.03 2.31 0.00 3.40 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 87 G 10.44 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 88 G 7.98 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 0.00 0.00 0.00 89 R 8.76 4.18 0.00 1.73 1.84 0.00 3.00 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 90 V 7.47 4.16 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 0.42 0.00 0.00 0.53 0.00 0.00 91 K 7.17 4.57 0.00 1.70 1.72 0.00 1.83 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.51 7.81 92 D 7.88 5.55 0.00 2.82 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 6.88 4.69 0.00 1.59 1.46 0.79 1.03 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 94 P 0.00 4.33 0.00 2.03 1.99 0.00 3.63 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 2.02 2.07 0.00 95 G 9.26 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 96 V 6.94 3.58 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 0.94 0.00 0.00 0.94 0.00 0.00 97 R 8.69 4.50 0.00 1.50 1.15 0.00 3.04 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.76 0.00 98 Y 7.88 5.12 0.00 2.95 2.88 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 99 H 9.28 5.27 0.00 3.22 3.30 0.00 5.80 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 7.87 4.72 1.92 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 1.15 0.68 0.91 0.00 0.00 101 V 8.99 3.66 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 0.52 0.00 0.00 0.84 0.00 0.00 102 R 8.65 3.94 0.00 1.80 1.81 0.00 3.55 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.40 0.00 103 G 8.67 4.20 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 0.00 104 V 6.76 4.29 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 0.13 0.00 0.00 0.75 0.00 0.00 105 Y 7.84 4.02 0.00 3.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.30 4.46 0.00 2.95 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 0.00 107 A 8.47 4.03 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 0.00 108 A 8.29 4.50 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 0.00 109 G 8.47 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 0.00 110 V 7.83 4.19 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 0.83 0.00 0.00 1.13 0.00 0.00 111 K 8.67 4.05 0.00 1.82 1.71 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.48 7.81 112 D 8.90 4.53 0.00 2.89 2.79 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 0.00 113 R 7.88 4.19 0.00 1.80 1.83 0.00 3.26 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 114 K 8.42 4.65 0.00 1.72 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.57 7.81 115 K 7.39 4.73 0.00 1.65 0.93 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.36 7.81 116 S 8.73 4.11 0.00 3.53 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 0.00 117 R 8.30 4.56 0.00 1.79 2.04 0.00 3.57 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 118 S 8.43 4.10 0.00 3.82 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 0.00 119 K 7.83 4.33 0.00 1.93 2.04 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.49 7.81 120 Y 8.88 3.72 0.00 3.08 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 0.00 121 G 7.79 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 122 T 7.41 4.34 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 0.00 123 K 8.45 4.00 0.00 1.74 1.74 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.37 7.81 124 K 8.41 4.08 0.00 1.69 1.74 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.48 7.81 125 P 0.00 4.48 0.00 2.21 2.03 0.00 3.79 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 1.98 1.94 0.00 126 K 8.22 4.49 0.00 1.71 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.59 7.81 127 E 8.77 4.17 0.00 1.99 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 2.23 0.00 128 A 7.85 3.55 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 *129 A 7.76 4.12 1.24 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.