NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.0090 8.0249 120.7854 60.7892 38.9791 175.4266 5 K 4.0529 8.3793 127.8545 53.1387 31.3799 174.6551 *7 S 4.2665 8.7846 119.5962 57.2220 66.3835 172.2375 8 P 4.2084 0.0000 0.0000 66.1578 31.1794 178.8618 9 E 3.9498 8.0689 116.6934 59.3598 29.4295 178.8612 10 E 3.9833 8.1272 118.9625 59.1081 29.6748 178.6226 11 I 3.7025 8.0158 120.2011 64.7462 37.2098 178.6488 12 R 3.9352 8.3583 118.6224 58.9765 29.8776 179.0116 13 A 4.0220 7.9957 120.5719 55.0393 18.3994 179.8287 14 K 4.0048 8.3127 117.1475 59.6669 32.0962 179.3786 15 S 4.1961 8.3375 113.4975 61.6852 62.2654 176.2782 16 Q 4.0465 8.1970 120.6098 59.1146 28.3774 179.0055 17 S 4.1511 7.9411 115.6829 61.7490 62.7486 176.4564 18 Y 4.0198 8.3167 119.5631 60.9257 37.6449 178.6204 19 G 3.6199 8.5684 107.0878 47.9953 0.0000 175.8176 20 Q 4.1402 8.7087 121.3019 58.4905 28.6768 179.0062 21 G 3.6073 8.2845 106.9527 47.7663 0.0000 175.6099 22 S 4.0837 8.3003 115.7983 61.3175 62.4263 176.0740 23 D 4.3882 8.1223 121.5163 57.5073 40.4735 178.8699 24 Q 4.0376 8.2759 118.6017 58.9509 28.6616 178.7741 25 I 3.7537 8.0167 120.9776 64.4364 37.1501 178.6698 26 R 3.9429 8.1233 118.9547 59.2894 29.8013 178.9649 27 Q 3.9924 8.1916 119.3815 59.1476 28.9911 178.2156 28 I 3.7233 8.0374 121.1072 64.3628 37.0897 178.2129 29 L 4.0244 8.1961 121.3062 58.0542 41.8973 178.8752 30 S 4.1288 8.2724 113.1446 61.5640 62.3908 175.9482 31 D 4.3646 8.3635 121.6526 57.5046 40.5731 178.7404 32 L 4.2228 8.4196 119.2997 57.4382 41.8236 179.6043 33 T 3.8807 8.3869 116.5452 66.4485 68.3753 176.4856 34 R 3.8680 8.0541 120.4203 59.4318 30.0509 178.3918 35 A 3.9638 8.0530 120.4414 55.2614 18.3277 179.4059 36 Q 4.0108 8.3549 117.0942 59.1921 28.7686 179.6393 37 G 3.6023 7.9046 106.1263 47.7751 0.0000 175.4213 38 E 3.9586 8.1934 121.8927 58.9038 29.6728 179.0174 39 I 3.6303 8.0351 119.8843 64.3896 36.9869 178.2783 40 A 4.2072 8.2298 120.4157 55.2431 18.2782 179.2933 41 A 4.1325 7.9619 118.2523 54.4001 18.5725 178.5441 42 N 4.9899 7.7192 112.4247 52.0103 39.5561 174.7534 43 W 4.6829 8.0208 131.2287 55.1478 30.9563 175.0396 44 E 4.2856 8.7213 123.8361 56.8785 30.7161 178.6154 45 G 3.9051 8.6310 105.9939 45.9652 0.0000 173.8403 46 Q 4.9468 8.6174 115.8680 54.5650 30.7996 177.0375 47 A 3.8409 8.0004 120.8531 54.9529 18.4645 178.0314 48 F 4.7152 7.1075 114.7243 58.3871 40.0253 177.3880 49 S 4.6954 8.3027 119.0468 61.7793 62.5513 176.5625 50 R 3.7691 7.6352 118.3825 59.0386 29.0883 178.8659 51 F 4.0416 7.4622 118.0962 60.0944 39.0692 177.3159 52 E 4.0279 7.7897 118.2738 59.4302 29.4061 178.9968 53 E 3.9371 8.1584 119.1905 59.4571 29.6806 178.9614 54 Q 3.9703 7.9052 117.5771 58.7459 28.6853 178.2746 55 F 3.9346 8.4628 121.8854 61.5877 39.2199 177.2762 56 Q 4.1288 8.2584 116.2907 59.0880 28.5301 178.5135 57 Q 4.1308 7.7782 118.1840 58.6625 29.1181 178.0266 58 L 4.1681 8.0360 119.7003 56.7121 41.8324 178.8283 59 S 3.8667 8.0138 113.7810 61.2877 62.1784 174.8274 60 P 4.2700 0.0000 0.0000 65.3359 31.0405 178.8258 61 K 4.0023 7.9293 117.2151 59.3410 31.9597 179.3783 62 V 3.6293 7.7326 118.5663 65.7455 31.4268 177.6245 63 E 3.9401 8.3809 119.2238 59.4113 29.5194 178.9441 64 K 3.9869 8.2663 118.4971 59.4216 32.0733 179.1615 65 F 4.1882 8.4386 120.6965 61.2909 39.4807 176.9664 66 A 3.9356 8.4027 120.6997 55.3001 18.0946 179.4454 67 Q 3.8771 8.2529 118.0079 59.0445 29.0511 177.9535 68 L 3.8745 7.9528 121.4277 58.3039 42.0352 178.9931 69 L 3.9650 7.7267 118.7203 57.7943 41.4903 179.1806 70 E 3.9149 8.0782 119.0241 59.2495 29.5435 178.7805 71 E 3.9457 8.1135 118.7619 59.3742 29.4214 179.3678 72 I 3.5041 7.9656 120.2822 63.8777 37.0361 178.1514 73 K 3.7588 8.0545 120.6892 59.6932 32.0050 178.4936 74 Q 3.9091 7.9595 119.5490 59.2221 28.8940 177.9835 75 Q 3.9178 8.1090 120.5525 59.2246 29.0632 178.2717 76 L 3.9277 8.1561 120.3577 57.6554 41.6228 179.1649 77 N 4.3156 8.2664 116.5411 56.4305 38.4973 177.5644 78 S 4.0960 8.0381 116.3799 62.0196 62.8635 177.0181 79 T 3.8682 8.1765 118.3495 66.4307 68.1832 176.6286 80 A 3.9780 8.4209 123.1852 55.2584 18.2969 179.3710 81 D 4.2823 8.0720 116.9885 57.5210 40.7068 179.0249 82 A 3.9585 7.7621 119.8764 55.0239 18.4767 179.4487 83 V 3.6672 7.7919 115.9638 66.2208 31.6763 177.7951 84 Q 4.0850 7.8586 117.7863 59.1798 29.0698 176.1261 85 E 4.2730 8.3146 123.0307 56.6261 29.6955 176.5503 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 4 I 8.02 4.01 1.86 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 1.41 1.34 0.90 0.00 0.00 5 K 8.38 4.05 0.00 1.86 1.76 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.49 7.81 *7 S 8.78 4.27 0.00 4.23 4.04 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 8 P 0.00 4.21 0.00 2.17 2.29 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 9 E 8.07 3.95 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 10 E 8.13 3.98 0.00 2.08 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 0.00 2.32 2.36 0.00 11 I 8.02 3.70 2.01 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 0.57 0.94 0.00 0.00 12 R 8.36 3.94 0.00 1.85 1.98 0.00 3.13 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 13 A 8.00 4.02 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 14 K 8.31 4.00 0.00 2.03 2.10 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.77 1.67 7.81 15 S 8.34 4.20 0.00 3.89 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 16 Q 8.20 4.05 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 17 S 7.94 4.15 0.00 3.93 3.78 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 18 Y 8.32 4.02 0.00 3.17 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 19 G 8.57 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 20 Q 8.71 4.14 0.00 2.15 2.16 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 2.39 2.49 0.00 21 G 8.28 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 22 S 8.30 4.08 0.00 3.93 4.04 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 23 D 8.12 4.39 0.00 2.90 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 24 Q 8.28 4.04 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 25 I 8.02 3.75 2.01 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.73 1.01 0.00 0.00 26 R 8.12 3.94 0.00 2.03 2.00 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 27 Q 8.19 3.99 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 28 I 8.04 3.72 2.03 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 1.44 0.66 0.96 0.00 0.00 29 L 8.20 4.02 0.00 1.87 1.84 0.85 0.78 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 30 S 8.27 4.13 0.00 4.05 4.04 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 31 D 8.36 4.36 0.00 2.90 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.42 4.22 0.00 1.96 1.96 1.05 1.06 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 33 T 8.39 3.88 4.50 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 0.00 0.00 0.00 1.30 0.00 0.00 34 R 8.05 3.87 0.00 1.92 2.14 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 35 A 8.05 3.96 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 36 Q 8.35 4.01 0.00 1.91 1.96 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 1.79 1.16 0.00 37 G 7.90 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 3.96 0.00 2.05 1.93 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 2.28 2.33 0.00 39 I 8.04 3.63 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.47 0.00 0.00 40 A 8.23 4.21 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 41 A 7.96 4.13 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 42 N 7.72 4.99 0.00 2.74 2.82 0.00 0.00 6.77 8.18 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 43 W 8.02 4.68 0.00 3.31 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 44 E 8.72 4.29 0.00 2.18 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 0.00 2.38 2.42 0.00 45 G 8.63 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 46 Q 8.62 4.95 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 47 A 8.00 3.84 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.11 4.72 0.00 1.51 2.61 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 49 S 8.30 4.70 0.00 3.84 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 50 R 7.64 3.77 0.00 1.71 1.93 0.00 2.57 0.00 0.00 3.04 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.51 0.00 51 F 7.46 4.04 0.00 2.14 2.61 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 52 E 7.79 4.03 0.00 2.11 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 2.38 2.23 0.00 53 E 8.16 3.94 0.00 1.98 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 2.26 2.32 0.00 54 Q 7.91 3.97 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 55 F 8.46 3.93 0.00 3.22 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 56 Q 8.26 4.13 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.73 2.60 0.00 57 Q 7.78 4.13 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.95 0.00 0.00 0.00 0.00 0.00 2.57 2.52 0.00 58 L 8.04 4.17 0.00 1.52 1.57 0.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.01 3.87 0.00 3.72 3.86 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 60 P 0.00 4.27 0.00 2.19 2.09 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 61 K 7.93 4.00 0.00 1.87 1.83 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.41 7.81 62 V 7.73 3.63 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 1.08 0.00 0.00 0.82 0.00 0.00 63 E 8.38 3.94 0.00 2.14 2.13 0.00 0.00 0.00 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 2.42 0.00 64 K 8.27 3.99 0.00 2.09 1.90 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.62 7.81 65 F 8.44 4.19 0.00 3.09 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 66 A 8.40 3.94 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.25 3.88 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 68 L 7.95 3.87 0.00 1.77 1.69 0.89 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 69 L 7.73 3.97 0.00 1.78 1.88 0.77 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.08 3.91 0.00 2.09 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 0.00 2.29 2.38 0.00 71 E 8.11 3.95 0.00 2.17 1.93 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 2.30 2.53 0.00 72 I 7.97 3.50 1.57 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 -0.21 0.00 0.00 73 K 8.05 3.76 0.00 1.84 2.01 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 74 Q 7.96 3.91 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 75 Q 8.11 3.92 0.00 2.22 2.12 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 2.29 2.38 0.00 76 L 8.16 3.93 0.00 1.76 1.65 0.71 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.27 4.32 0.00 2.93 2.85 0.00 0.00 7.00 6.99 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 78 S 8.04 4.10 0.00 4.03 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 79 T 8.18 3.87 4.21 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 1.19 0.00 0.00 80 A 8.42 3.98 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 81 D 8.07 4.28 0.00 2.95 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 82 A 7.76 3.96 1.33 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 0.00 0.00 0.00 83 V 7.79 3.67 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 0.83 0.00 0.00 0.94 0.00 0.00 84 Q 7.86 4.08 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 85 E 8.31 4.27 0.00 2.01 1.84 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 2.34 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.