NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.0709 8.2649 123.5819 50.8481 19.5217 176.5820 2 K 3.4830 9.1895 134.7082 55.2299 30.6017 173.9335 3 Q 3.8899 8.9299 126.2599 59.3852 29.2869 178.5390 4 S 4.0943 8.0228 113.1457 61.6886 62.4271 175.3170 5 M 4.0065 8.0935 120.2767 58.7266 31.9595 177.7073 6 K 3.7998 8.6912 118.5203 59.6908 32.2613 178.5224 7 A 3.9648 7.7195 120.2892 55.6509 18.3709 179.4538 8 R 3.7742 7.5296 115.9013 59.9040 29.9284 178.0571 9 E 3.9616 7.5349 116.9788 59.0064 29.9234 178.4171 10 V 3.7119 7.6030 118.1171 66.2890 31.6622 178.3375 11 K 4.0549 8.5362 118.2750 59.2000 31.6221 179.3972 12 R 3.9228 7.6048 118.0495 58.9295 30.3138 178.0632 13 V 3.9548 7.7153 117.6112 64.8008 31.6305 177.7573 14 A 4.0825 7.7879 120.3031 55.3668 18.4441 179.5528 15 L 4.1284 7.9645 116.3101 57.3123 41.4354 179.2577 16 A 4.6632 7.3567 120.7187 54.0985 18.1936 178.2784 17 D 4.9570 7.5426 113.4641 53.2592 40.1306 178.3089 18 K 3.9988 8.2604 119.2867 58.7535 31.4652 177.9184 19 Y 4.6762 8.8444 127.8908 61.1259 40.0214 175.6277 20 F 4.4829 7.7004 116.0823 57.7095 40.4738 176.1450 21 A 4.9143 7.5610 134.8404 51.5050 16.8737 180.6212 22 K 3.9529 9.0891 120.7532 62.0517 31.8950 178.6862 23 R 3.8014 7.9822 114.5967 57.7128 30.2145 177.2035 24 A 3.6472 7.8899 122.0439 54.2943 19.6564 179.6245 25 E 4.2750 7.6039 112.5285 56.7871 28.9417 178.5331 26 L 4.2005 7.8104 119.0133 56.5713 43.2877 179.2177 27 K 4.7166 7.9472 113.9878 55.5534 32.3220 181.3585 28 A 4.0760 8.9621 133.6800 52.3777 18.7036 179.2931 29 I 3.6148 8.3708 116.8468 67.3532 37.1145 178.3852 30 I 4.0884 7.6148 115.5674 62.0647 36.4629 177.4202 31 S 4.6208 8.5305 113.3659 59.7255 66.5660 174.2783 32 D 4.9511 8.0119 121.2300 53.4565 44.4671 175.1838 33 V 4.4451 8.2342 110.2538 62.6863 31.2135 176.0792 34 N 4.7390 7.6641 117.9391 54.9531 41.0438 172.9520 35 A 4.2503 7.2455 123.0591 52.7574 26.3000 175.8287 *40 R 4.2994 7.6497 115.2008 56.1252 31.0923 174.5613 41 W 5.3252 8.0115 130.0565 55.2278 33.5379 174.8828 42 N 3.9916 7.4660 120.4518 56.1250 38.2998 175.9317 43 A 3.8243 7.5818 119.6737 55.0496 18.0212 179.4670 44 V 3.4832 8.1345 115.3406 65.3248 32.2898 177.1241 45 L 3.7295 8.3353 113.2402 58.7668 41.3210 178.4642 46 K 3.9301 6.7566 127.2382 59.3429 32.5765 177.5661 47 L 4.0895 7.9497 122.3549 57.0313 42.5824 178.4732 48 Q 3.7371 8.8185 118.8054 59.3687 28.3845 177.6551 49 T 4.0757 7.1250 107.6974 62.1405 66.9395 172.5968 50 L 4.6519 7.9247 126.3509 56.1774 48.7037 175.9088 51 P 4.2601 0.0000 0.0000 65.5799 31.3548 175.4234 52 R 4.0716 7.7332 122.1404 56.3686 29.9283 175.9601 53 D 4.9314 7.5828 119.3015 54.4560 41.4640 176.8200 54 S 4.4062 7.3964 109.8201 57.2486 64.9823 173.0482 55 S 3.0846 7.1185 114.5318 57.3133 62.8599 173.0902 56 P 4.3149 0.0000 0.0000 65.2814 31.5638 178.7567 57 S 4.0296 7.6524 115.5965 61.9537 62.6380 176.0024 58 R 4.0745 7.2319 114.5216 57.6750 29.7770 177.9753 59 Q 4.3399 7.7418 120.1075 54.6547 26.8672 176.7524 60 R 3.5552 7.9744 118.4448 57.5253 31.0377 177.2259 61 N 4.6433 8.2776 119.5601 54.0606 38.2008 175.5453 62 R 3.7397 8.0332 114.5804 56.6223 29.0616 174.9581 63 C 4.0859 7.3115 117.8498 58.9315 32.3998 174.5598 64 R 4.0354 7.3131 124.4883 58.5749 30.1918 177.7164 65 Q 4.0541 7.8130 120.4404 59.6098 29.6372 178.3750 66 T 3.8779 7.7317 106.9890 65.0846 69.1222 174.9746 67 G 4.4908 8.1694 109.6014 44.7070 0.0000 173.9391 68 R 4.0221 7.7797 120.2836 55.6401 30.9596 175.5106 69 P 4.6811 0.0000 0.0000 63.6122 32.6499 173.5954 70 H 4.0213 8.7863 112.9112 56.7225 27.6777 175.1196 71 G 3.8115 8.4236 109.1607 46.5678 0.0000 172.5594 72 F 4.7343 8.5379 125.5830 57.3253 42.6712 174.6508 73 L 4.8815 8.4568 126.7155 53.0653 43.6945 175.9032 74 R 4.1586 9.0403 122.3848 59.2800 30.5024 178.8104 75 K 4.0041 8.3455 116.6894 58.9847 32.1552 176.5603 76 F 4.5868 9.0217 114.8803 55.9678 40.3697 177.6147 77 G 4.0189 8.7927 109.4537 45.9054 0.0000 173.6045 78 L 4.6586 7.8337 119.3776 52.5307 44.2002 177.3147 79 S 4.4104 8.1770 116.0502 57.4181 64.2032 173.8433 80 R 3.3810 8.8995 115.1763 60.2697 29.4422 178.4536 81 I 3.8664 9.0097 117.5363 64.7821 38.0781 177.9072 82 K 4.5253 7.3960 117.4185 56.8982 31.4137 177.4860 83 V 4.1401 7.9421 116.9109 63.9541 33.4953 176.9890 84 R 3.8153 7.5073 117.9068 60.1557 29.6145 177.6779 85 E 3.7267 8.2294 116.5124 60.2494 29.8965 178.7405 86 A 4.0811 7.9066 119.1804 55.2399 18.6221 179.0209 87 A 4.0469 8.4232 119.2225 55.9658 18.1012 179.9082 88 M 4.0548 8.2897 116.6179 58.4452 32.2466 178.5128 89 R 4.1330 7.7123 116.5556 57.4266 29.5852 177.0791 90 G 3.9958 7.7181 106.6920 46.2083 0.0000 175.3779 91 E 4.1311 8.0872 120.1454 58.0968 29.7698 177.0981 92 I 4.4379 6.9000 116.2577 58.5640 38.9490 173.4244 93 P 4.3737 0.0000 0.0000 63.6636 32.0222 174.5390 94 G 4.2954 9.2638 113.9086 45.5207 0.0000 173.3029 95 L 4.0652 7.3242 119.0185 55.1566 43.7759 174.0934 96 K 4.3807 7.9538 129.1530 55.8219 36.9679 179.2847 97 K 4.3115 8.7103 121.6012 54.7707 33.5577 175.0454 98 A 4.3277 8.5766 127.2853 52.4179 19.0651 176.7406 99 S 4.5862 8.1567 111.8573 57.6904 65.0517 176.4663 100 W 4.0954 8.1615 118.5189 57.5407 27.2069 174.1666 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 A 8.26 4.07 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 2 K 9.19 3.48 0.00 2.07 1.94 0.00 1.72 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.49 7.81 3 Q 8.93 3.89 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 4 S 8.02 4.09 0.00 3.93 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 5 M 8.09 4.01 0.00 2.48 2.06 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 6 K 8.69 3.80 0.00 1.99 1.86 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.76 7.81 7 A 7.72 3.96 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 8 R 7.53 3.77 0.00 1.93 2.18 0.00 3.10 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 9 E 7.53 3.96 0.00 2.10 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 2.34 2.37 0.00 10 V 7.60 3.71 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 0.98 0.00 0.00 0.96 0.00 0.00 11 K 8.54 4.05 0.00 1.77 1.85 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.59 7.81 12 R 7.60 3.92 0.00 2.02 2.10 0.00 3.45 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.75 0.00 13 V 7.72 3.95 2.18 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 0.97 0.00 0.00 1.09 0.00 0.00 14 A 7.79 4.08 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 15 L 7.96 4.13 0.00 1.75 1.83 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.36 4.66 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 17 D 7.54 4.96 0.00 2.91 2.81 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 18 K 8.26 4.00 0.00 2.03 1.69 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.70 7.81 19 Y 8.84 4.68 0.00 2.97 3.03 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 20 F 7.70 4.48 0.00 3.20 3.23 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 21 A 7.56 4.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 9.09 3.95 0.00 1.84 1.87 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 23 R 7.98 3.80 0.00 1.88 1.84 0.00 3.19 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 24 A 7.89 3.65 1.08 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 25 E 7.60 4.28 0.00 1.83 1.89 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 2.31 2.43 0.00 26 L 7.81 4.20 0.00 1.52 1.68 0.90 0.80 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 27 K 7.95 4.72 0.00 1.85 1.05 0.00 1.78 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.31 7.81 28 A 8.96 4.08 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 29 I 8.37 3.61 1.88 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 1.41 0.53 0.94 0.00 0.00 30 I 7.61 4.09 2.04 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 1.44 0.36 1.02 0.00 0.00 31 S 8.53 4.62 0.00 3.76 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 32 D 8.01 4.95 0.00 2.75 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 33 V 8.23 4.45 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 0.67 0.00 0.00 0.94 0.00 0.00 34 N 7.66 4.74 0.00 2.64 2.78 0.00 0.00 7.06 7.96 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 35 A 7.25 4.25 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 *40 R 7.65 4.30 0.00 2.22 2.10 0.00 3.30 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 41 W 8.01 5.33 0.00 3.28 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 42 N 7.47 3.99 0.00 2.09 2.36 0.00 0.00 6.81 8.02 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 43 A 7.58 3.82 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 44 V 8.13 3.48 2.27 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 1.08 0.00 0.00 0.98 0.00 0.00 45 L 8.34 3.73 0.00 1.66 1.50 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 46 K 6.76 3.93 0.00 1.62 1.84 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.66 7.81 47 L 7.95 4.09 0.00 1.79 1.76 0.88 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 48 Q 8.82 3.74 0.00 1.91 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.54 0.00 49 T 7.13 4.08 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 1.24 0.00 0.00 50 L 7.92 4.65 0.00 1.23 1.39 0.70 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.26 0.00 2.42 2.26 0.00 3.96 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.09 0.00 52 R 7.73 4.07 0.00 2.08 2.01 0.00 3.18 0.00 0.00 3.28 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 53 D 7.58 4.93 0.00 2.65 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 54 S 7.40 4.41 0.00 3.88 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 55 S 7.12 3.08 0.00 3.61 3.48 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 56 P 0.00 4.31 0.00 2.24 2.28 0.00 3.70 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 2.08 2.04 0.00 57 S 7.65 4.03 0.00 3.79 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 58 R 7.23 4.07 0.00 1.85 1.94 0.00 3.12 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 59 Q 7.74 4.34 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 60 R 7.97 3.56 0.00 1.82 2.15 0.00 3.47 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 61 N 8.28 4.64 0.00 3.19 3.32 0.00 0.00 7.03 7.54 0.00 0.00 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 R 8.03 3.74 0.00 1.92 2.02 0.00 3.21 0.00 0.00 3.21 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 63 C 7.31 4.09 0.00 2.96 2.80 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 64 R 7.31 4.04 0.00 1.86 1.79 0.00 3.36 0.00 0.00 3.12 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 65 Q 7.81 4.05 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 66 T 7.73 3.88 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 1.18 0.00 0.00 67 G 8.17 4.49 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 0.00 0.00 0.00 68 R 7.78 4.02 0.00 1.87 1.80 0.00 3.08 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 69 P 0.00 4.68 0.00 2.23 2.10 0.00 4.02 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.05 0.00 70 H 8.79 4.02 0.00 3.31 3.31 0.00 5.92 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 71 G 8.42 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 72 F 8.54 4.73 0.00 3.19 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.46 4.88 0.00 1.94 1.63 0.72 1.03 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 74 R 9.04 4.16 0.00 2.03 2.18 0.00 3.27 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.96 0.00 75 K 8.35 4.00 0.00 1.85 2.29 0.00 1.55 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.72 1.51 7.81 76 F 9.02 4.59 0.00 3.03 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 77 G 8.79 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.83 4.66 0.00 1.65 1.65 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.18 4.41 0.00 3.94 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 80 R 8.90 3.38 0.00 1.86 1.72 0.00 3.21 0.00 0.00 3.34 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 81 I 9.01 3.87 1.85 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 1.40 0.51 0.90 0.00 0.00 82 K 7.40 4.53 0.00 1.83 1.81 0.00 1.52 0.00 0.00 1.61 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.41 7.81 83 V 7.94 4.14 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 0.68 0.00 0.00 0.90 0.00 0.00 84 R 7.51 3.82 0.00 1.90 1.89 0.00 3.18 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 85 E 8.23 3.73 0.00 1.99 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 0.00 2.31 2.37 0.00 86 A 7.91 4.08 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 87 A 8.42 4.05 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.29 4.05 0.00 1.97 2.38 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.79 0.00 89 R 7.71 4.13 0.00 1.83 2.07 0.00 3.68 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 90 G 7.72 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 0.00 0.00 0.00 91 E 8.09 4.13 0.00 2.04 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 0.00 2.51 2.30 0.00 92 I 6.90 4.44 2.04 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 1.82 0.50 1.00 0.00 0.00 93 P 0.00 4.37 0.00 2.15 2.04 0.00 3.68 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 94 G 9.26 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 0.00 0.00 0.00 0.00 95 L 7.32 4.07 0.00 1.84 1.74 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.95 4.38 0.00 1.91 0.79 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.48 7.81 97 K 8.71 4.31 0.00 1.76 1.73 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.46 7.81 98 A 8.58 4.33 1.49 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 0.00 0.00 99 S 8.16 4.59 0.00 3.91 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 0.00 100 W 8.16 4.10 0.00 3.38 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 * Residues marked with a * may have inaccurate shift predictions.