NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 V 4.0062 8.0549 117.9084 60.3231 33.6147 175.5869 4 I 4.2159 7.6083 123.2670 58.1974 37.4271 173.1783 5 N 5.1249 8.3123 123.6764 51.8850 39.2202 173.8530 6 T 4.6792 7.6611 108.7830 60.5680 72.4731 174.5620 7 F 4.1838 8.4082 120.5114 61.2124 39.0412 177.8307 8 D 4.5667 8.3198 117.9049 57.2506 40.8923 178.9266 9 G 3.6442 8.3695 106.4568 47.8039 0.0000 176.0268 10 V 3.6268 8.4991 120.9592 65.6697 31.5359 178.0051 11 A 4.0758 8.2141 120.5453 55.2930 18.0323 179.4003 12 D 4.2936 8.2022 117.4868 57.4017 40.8542 178.2869 13 Y 3.9388 7.9767 119.7492 60.5897 38.7765 177.9794 14 L 3.8563 8.0825 119.8773 58.1604 41.5781 179.7672 15 Q 3.4230 7.5022 115.7282 58.4047 28.5704 178.3212 16 T 3.6588 6.7802 115.7143 65.2612 69.1052 175.9671 17 Y 4.2785 7.1112 115.8662 56.9673 38.7377 175.2991 18 H 3.4297 7.4201 116.1616 55.5514 26.8665 174.2814 19 K 4.6008 7.5433 114.3999 56.0390 34.8347 174.7222 20 L 4.1855 8.3345 119.7167 53.5105 42.1359 175.5969 21 P 3.7035 0.0000 0.0000 62.5252 31.6773 177.2798 22 D 4.5434 8.4493 119.5678 56.2989 40.9597 176.5177 23 N 4.7576 7.8977 117.1171 52.9287 38.4759 173.8246 24 Y 5.1728 7.8539 116.4053 56.7221 40.3740 175.0859 25 I 4.9739 8.5490 115.7055 59.3899 41.7188 175.1738 26 T 4.8671 8.7990 114.0877 60.1226 70.0570 175.6932 27 K 3.9504 8.9851 121.0312 59.8244 31.9724 179.9024 28 S 4.2130 8.0894 114.7870 61.6240 62.6503 176.3812 29 E 3.9820 7.8952 119.2252 59.3024 29.4698 178.9535 30 A 4.1665 8.1800 120.7693 55.5278 18.4287 179.5367 31 Q 4.2794 8.8202 116.6669 59.3897 28.6031 179.2381 32 A 4.0792 7.9676 119.9940 54.1730 18.4789 178.5285 33 L 4.5181 7.8764 115.8276 54.3783 42.2199 177.2004 34 G 4.1099 8.0760 108.2968 45.0755 0.0000 173.3245 35 W 4.4520 8.1620 129.3944 56.5305 31.3764 175.6836 36 V 3.7579 8.5583 125.7137 60.5615 31.8065 175.5034 37 A 3.4987 7.4485 131.1979 55.2654 18.1297 179.6318 38 S 4.4272 7.8781 109.3286 60.6702 62.9536 175.1351 39 K 4.3162 7.7444 118.1637 55.1758 32.9307 176.3799 40 G 3.1801 7.4061 106.9863 46.4956 0.0000 173.7805 41 N 4.9000 8.0055 113.2666 52.2230 38.1014 175.9893 42 L 3.9314 8.6060 122.6011 59.1386 41.7007 178.7701 43 A 4.0670 8.0892 118.1188 54.5232 18.3792 178.9169 44 D 4.4597 7.9550 117.3546 57.5552 41.2175 178.9834 45 V 4.0060 7.7926 110.8151 62.7550 32.9369 176.2878 46 A 4.5782 8.2172 122.0726 48.6296 18.8702 171.8878 47 P 4.3645 0.0000 0.0000 64.0345 32.0124 177.3206 48 G 3.8760 8.9612 110.5857 45.2485 0.0000 172.8896 49 K 4.7519 7.4006 118.1353 54.8404 34.3065 176.0575 50 S 4.6259 8.5749 118.2276 56.5236 67.1104 173.4435 51 I 4.3769 7.8897 123.1535 60.9184 38.0906 175.3473 52 G 4.2450 9.2811 112.9272 47.0229 0.0000 174.1629 53 G 4.4306 9.6074 109.6377 44.4062 0.0000 173.9905 54 D 4.7606 7.9032 119.5254 53.6705 42.4971 175.8509 55 I 4.3172 8.3623 122.1510 61.5524 37.9924 175.1276 56 F 4.8428 8.7806 129.3873 56.2600 40.2003 175.6643 57 S 3.9891 8.3086 121.4628 59.4740 63.1824 173.9756 58 N 3.9249 6.8360 117.3430 53.9689 37.1120 175.9226 59 R 3.8118 7.5285 117.0173 59.1060 30.1320 178.3012 60 E 4.0196 8.0524 114.0621 56.8355 29.6142 176.9637 61 G 3.9109 7.8262 106.9633 46.5196 0.0000 175.1549 62 K 4.1556 8.2578 119.4834 57.1765 32.7321 177.2332 63 L 3.9120 7.0632 118.5488 51.2792 43.3999 174.5052 64 P 4.3417 0.0000 0.0000 62.7761 31.8535 176.5344 65 G 4.0555 8.3713 111.2714 44.8246 0.0000 172.4580 66 K 4.1980 7.8912 117.7582 55.0234 34.7110 174.3581 67 S 4.1126 8.7725 119.1516 59.8463 62.7750 174.2714 68 G 3.7660 8.7886 112.9742 45.7402 0.0000 171.9523 69 R 4.3274 7.7483 120.5047 54.8387 30.9635 175.8238 70 T 4.6809 8.3016 116.2641 59.6844 72.1660 173.0733 71 W 5.1338 8.5280 121.4352 55.1133 32.8503 174.8037 72 R 5.1565 8.9929 121.4121 54.3625 34.3486 173.8793 73 E 5.7241 9.1977 117.7730 53.9766 33.6551 174.3450 74 A 5.0253 8.2865 119.8147 50.6735 22.6898 175.4878 75 D 4.9525 9.3003 122.2370 54.5419 41.5586 176.1167 76 I 4.4156 8.1424 122.1843 60.0130 41.0966 175.4642 77 N 4.3225 8.4682 120.6639 54.3311 37.0093 173.6602 78 Y 4.4130 7.3097 119.6656 57.0765 39.8710 175.1831 79 T 4.0495 7.2218 114.8151 62.5614 70.6191 173.7506 80 S 4.1988 6.3241 112.3562 58.1318 65.6059 174.8993 81 G 3.8128 8.5318 107.3165 44.4000 0.0000 173.2061 82 F 4.4417 8.5359 117.2109 57.1080 39.6188 175.5600 83 R 4.2025 8.8103 122.8317 56.7184 30.7522 177.1590 84 N 4.9411 8.5768 119.0067 52.5602 39.8364 175.0819 85 S 4.2089 8.5146 113.8877 58.6805 64.4807 173.0038 86 D 5.3565 8.2510 122.2144 53.9061 42.2372 175.7850 87 R 5.0349 9.0901 121.3631 54.6984 35.4596 173.6435 88 I 5.1631 8.9235 123.0511 59.6974 40.2402 174.0524 89 L 5.4335 9.5049 129.9196 53.2872 43.4682 175.1114 90 Y 5.6805 9.1869 121.7374 55.5070 41.8758 174.5109 91 S 4.6797 8.4171 115.9035 55.3625 65.3855 175.3087 92 S 3.3363 7.9814 115.1442 60.4261 62.6475 174.7494 93 D 4.4012 7.1799 118.6270 52.0789 39.3471 175.9047 94 W 3.7851 6.5328 117.3122 58.3560 27.0851 174.3299 95 L 4.7663 7.8650 117.1140 54.0989 43.4032 176.5424 96 A 5.6036 9.0011 122.8087 50.7831 22.8067 174.7686 97 Y 5.2164 9.5776 118.5625 56.0029 42.6601 174.6595 98 K 5.3248 9.4314 120.3925 55.5801 36.4903 174.8432 99 T 4.9424 8.9999 115.2669 60.4214 70.9174 174.0510 100 T 4.8989 8.7033 115.9084 60.2295 69.6262 173.5352 101 D 4.6973 7.3440 120.6299 53.8984 39.7610 174.7888 102 H 3.3385 8.3620 110.5865 58.5002 26.6725 175.3685 103 Y 3.1944 7.3492 110.5669 59.0028 35.7721 171.7431 104 Q 4.1675 7.8329 121.4432 58.4018 28.9959 176.6987 105 T 4.6184 7.9768 105.3455 59.6666 71.8718 172.8331 106 F 5.4120 8.4807 119.9515 56.2429 43.4215 174.3384 107 T 4.6933 8.7971 117.2500 61.4390 72.0400 173.3702 108 K 3.3105 8.6691 128.5624 56.1344 32.2362 176.2362 109 I 4.4253 8.5029 120.0527 60.8370 39.8702 175.9516 110 R 4.1837 7.5565 126.9856 56.6765 31.0969 174.5343 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 *3 V 8.05 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 0.94 0.00 0.00 0.93 0.00 0.00 4 I 7.61 4.22 1.75 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 1.36 1.11 0.94 0.00 0.00 5 N 8.31 5.12 0.00 2.77 2.84 0.00 0.00 5.82 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 6 T 7.66 4.68 4.27 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 1.21 0.00 0.00 7 F 8.41 4.18 0.00 3.14 3.15 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 8 D 8.32 4.57 0.00 2.76 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 9 G 8.37 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.50 3.63 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 0.81 0.00 0.00 1.08 0.00 0.00 11 A 8.21 4.08 1.51 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 0.00 0.00 0.00 12 D 8.20 4.29 0.00 2.83 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 13 Y 7.98 3.94 0.00 3.24 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 14 L 8.08 3.86 0.00 1.87 1.73 0.18 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 7.50 3.42 0.00 1.83 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 16 T 6.78 3.66 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 0.45 0.00 0.00 17 Y 7.11 4.28 0.00 2.42 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 18 H 7.42 3.43 0.00 3.24 3.39 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.54 4.60 0.00 1.95 1.87 0.00 1.75 0.00 0.00 2.09 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.47 7.81 20 L 8.33 4.19 0.00 1.67 1.53 0.83 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.70 0.00 2.29 1.32 0.00 3.43 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.63 0.00 22 D 8.45 4.54 0.00 2.63 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 23 N 7.90 4.76 0.00 2.69 2.87 0.00 0.00 6.74 7.23 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 24 Y 7.85 5.17 0.00 3.05 2.93 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 25 I 8.55 4.97 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.57 0.89 0.00 0.00 26 T 8.80 4.87 4.48 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 1.27 0.00 0.00 27 K 8.99 3.95 0.00 1.96 2.14 0.00 1.88 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.69 1.69 7.81 28 S 8.09 4.21 0.00 3.92 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 29 E 7.90 3.98 0.00 2.15 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 2.38 2.37 0.00 30 A 8.18 4.17 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 31 Q 8.82 4.28 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.83 0.00 32 A 7.97 4.08 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 0.00 0.00 33 L 7.88 4.52 0.00 1.86 1.76 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.08 4.11 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 0.00 35 W 8.16 4.45 0.00 3.18 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 36 V 8.56 3.76 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 0.80 0.00 0.00 0.89 0.00 0.00 37 A 7.45 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.88 4.43 0.00 3.83 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 39 K 7.74 4.32 0.00 1.80 1.77 0.00 1.87 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.46 7.81 40 G 7.41 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 0.00 0.00 0.00 41 N 8.01 4.90 0.00 2.89 2.99 0.00 0.00 5.72 6.67 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 42 L 8.61 3.93 0.00 1.25 1.66 0.37 0.51 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 43 A 8.09 4.07 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 44 D 7.96 4.46 0.00 2.86 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 45 V 7.79 4.01 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 0.93 0.00 0.00 1.04 0.00 0.00 46 A 8.22 4.58 1.18 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 0.00 0.00 47 P 0.00 4.36 0.00 2.03 2.00 0.00 3.70 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 2.02 2.24 0.00 48 G 8.96 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 49 K 7.40 4.75 0.00 1.60 1.59 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.69 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.48 7.81 50 S 8.57 4.63 0.00 2.79 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 4.38 1.84 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.30 0.85 0.00 0.00 52 G 9.28 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 0.00 0.00 0.00 0.00 53 G 9.61 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 0.00 0.00 0.00 0.00 54 D 7.90 4.76 0.00 2.71 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 55 I 8.36 4.32 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.92 0.00 0.00 56 F 8.78 4.84 0.00 2.94 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 57 S 8.31 3.99 0.00 3.84 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 58 N 6.84 3.92 0.00 2.87 2.80 0.00 0.00 7.21 7.65 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 59 R 7.53 3.81 0.00 1.95 1.90 0.00 3.33 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.50 0.00 60 E 8.05 4.02 0.00 1.97 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 2.29 2.27 0.00 61 G 7.83 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 62 K 8.26 4.16 0.00 1.93 2.11 0.00 2.00 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.53 7.81 63 L 7.06 3.91 0.00 0.57 0.13 -0.67 -0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.34 0.00 2.31 2.14 0.00 3.13 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 65 G 8.37 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 66 K 7.89 4.20 0.00 1.73 1.54 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.30 7.81 67 S 8.77 4.11 0.00 3.99 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 68 G 8.79 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 0.00 0.00 0.00 69 R 7.75 4.33 0.00 1.66 1.86 0.00 3.24 0.00 0.00 2.55 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.95 0.00 70 T 8.30 4.68 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 1.16 0.00 0.00 71 W 8.53 5.13 0.00 3.47 3.07 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 72 R 8.99 5.16 0.00 0.69 1.21 0.00 3.12 0.00 0.00 3.48 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.42 0.00 73 E 9.20 5.72 0.00 2.16 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 0.00 2.41 2.20 0.00 74 A 8.29 5.03 1.03 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 75 D 9.30 4.95 0.00 2.71 2.64 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 0.00 0.00 0.00 0.00 76 I 8.14 4.42 1.35 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 -0.09 0.00 0.00 77 N 8.47 4.32 0.00 2.84 2.86 0.00 0.00 6.88 7.11 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 78 Y 7.31 4.41 0.00 3.01 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 79 T 7.22 4.05 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 1.07 0.00 0.00 80 S 6.32 4.20 0.00 3.86 3.66 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 81 G 8.53 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 0.00 0.00 0.00 82 F 8.54 4.44 0.00 3.18 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 83 R 8.81 4.20 0.00 1.97 1.93 0.00 3.12 0.00 0.00 3.55 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.74 0.00 84 N 8.58 4.94 0.00 2.86 2.98 0.00 0.00 5.99 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 85 S 8.51 4.21 0.00 3.76 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 86 D 8.25 5.36 0.00 2.82 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 87 R 9.09 5.03 0.00 1.73 1.86 0.00 3.57 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.32 0.00 88 I 8.92 5.16 2.17 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 1.05 0.00 0.00 89 L 9.50 5.43 0.00 1.54 1.39 0.34 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 9.19 5.68 0.00 3.10 3.21 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 91 S 8.42 4.68 0.00 2.91 2.63 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 92 S 7.98 3.34 0.00 3.69 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 93 D 7.18 4.40 0.00 2.67 2.58 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 94 W 6.53 3.79 0.00 3.55 3.43 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 95 L 7.86 4.77 0.00 1.66 1.93 1.14 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 96 A 9.00 5.60 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.58 5.22 0.00 2.80 2.93 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 98 K 9.43 5.32 0.00 0.79 1.45 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.19 1.09 7.81 99 T 9.00 4.94 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 1.15 0.00 0.00 100 T 8.70 4.90 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 1.29 0.00 0.00 101 D 7.34 4.70 0.00 2.78 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 0.00 102 H 8.36 3.34 0.00 3.31 3.47 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.35 3.19 0.00 3.25 3.25 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 0.00 104 Q 7.83 4.17 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 105 T 7.98 4.62 4.18 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 1.19 0.00 0.00 106 F 8.48 5.41 0.00 2.96 3.12 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 0.00 107 T 8.80 4.69 4.18 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 1.15 0.00 0.00 108 K 8.67 3.31 0.00 0.97 1.44 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.18 0.95 7.81 109 I 8.50 4.43 1.85 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.95 0.84 0.00 0.00 110 R 7.56 4.18 0.00 1.89 1.84 0.00 3.34 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 * Residues marked with a * may have inaccurate shift predictions.