NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.7187 8.1833 119.3560 57.4929 41.4856 173.2639 3 Y 4.8241 8.7778 119.8158 55.3783 41.0789 170.7390 4 E 5.2166 10.6918 127.7695 54.7193 32.5078 174.1041 5 I 4.9373 9.2271 128.2087 59.7908 39.9814 174.5715 6 R 5.0382 8.6116 126.7759 54.6758 32.5314 175.5062 7 T 4.9496 8.9464 120.2079 61.9944 71.8013 172.6707 8 Y 5.3829 8.9012 124.0084 56.1673 42.1129 174.6865 9 R 4.9131 9.1643 122.8943 54.8069 32.3304 175.5639 10 L 4.8918 8.9126 127.1853 53.0726 43.7102 176.5097 11 K 4.2928 8.8468 121.9906 55.7705 33.3519 175.5164 12 N 4.4448 8.7937 125.0559 56.2332 38.8354 174.7058 13 G 3.9239 9.3187 114.1357 45.6624 0.0000 173.8248 14 A 4.3620 8.2286 121.2021 52.6854 18.8645 179.5560 15 I 3.6766 7.7930 118.8854 63.9735 37.2282 176.1741 16 P 4.1440 0.0000 0.0000 65.5306 31.2621 178.4681 17 A 3.9738 7.9717 118.9342 55.2385 18.3950 178.7185 18 Y 3.9514 8.3354 118.2275 61.1141 38.9735 178.5199 19 L 4.0446 8.5799 120.1578 57.4032 41.5325 179.6414 20 K 3.9011 8.0251 120.0124 59.5401 32.2477 179.4250 21 V 3.6718 7.7079 119.3668 64.5151 31.3121 178.6122 22 V 3.4736 7.7163 119.0479 65.7629 31.1759 177.5966 23 E 3.8126 7.7741 117.6393 59.5229 29.5699 178.2590 24 D 4.5320 8.2279 117.9447 56.4856 41.0448 176.9475 25 E 4.6203 8.6165 115.1612 54.6800 32.0844 176.7649 26 G 3.0718 7.2952 104.4598 45.4089 0.0000 174.8632 27 I 3.8041 7.9593 121.2358 64.0962 37.9456 177.8731 28 E 3.9832 8.0483 118.7517 59.4266 29.1833 179.1403 29 I 3.7137 7.6957 119.3672 64.4726 37.1719 178.1263 30 Q 3.3416 8.2182 120.3783 58.9919 28.9497 178.4496 31 K 4.3343 8.6221 120.2678 59.3450 31.9044 179.4258 32 S 4.2092 8.0904 113.5159 60.6564 62.8845 175.3929 33 H 4.5631 7.1262 118.3051 57.9348 29.5835 177.0442 34 L 4.2391 7.8274 119.4429 54.6248 41.5376 177.9569 35 G 4.0137 8.6658 108.2480 43.6754 0.0000 174.4063 36 E 4.5278 9.1007 124.5772 54.2465 32.4663 175.7766 37 L 3.3119 8.2379 127.7374 54.3355 42.2060 176.4576 38 V 3.8335 8.5282 127.6519 65.1285 32.5062 176.2180 39 G 3.7376 6.9740 103.4850 45.5347 0.0000 172.2411 40 Y 4.6404 7.5732 122.2400 55.7424 41.2623 174.0842 41 F 5.4754 9.4385 125.6765 55.6133 43.3867 174.2249 42 F 5.7078 8.3413 114.6530 54.7350 40.8002 174.8345 43 S 4.2943 8.8255 115.5058 59.4915 63.1302 172.9951 44 E 4.6013 8.7014 119.4251 57.1933 33.3853 175.4132 45 I 4.5304 8.0779 118.8521 60.6598 40.8325 172.8990 46 G 3.9922 8.8012 114.4181 43.2267 0.0000 172.6917 47 P 4.3078 0.0000 0.0000 62.6696 31.7199 175.8146 48 I 4.2779 8.1815 123.6815 61.4031 38.7109 174.8482 49 N 4.3232 8.7367 118.0167 54.6360 35.7678 173.0864 50 E 5.2491 8.0775 118.1320 54.5619 32.5677 174.3992 51 I 5.1660 8.6453 126.2061 59.5464 40.8482 174.7800 52 V 4.8314 9.1364 126.2430 61.4656 34.6939 173.6940 53 H 5.0283 8.7111 122.9409 53.6021 31.9959 172.3856 54 I 5.1833 8.4775 121.1710 59.3962 40.4447 174.4976 55 W 5.0728 9.2599 125.7381 54.7142 32.6192 174.1181 56 A 4.7077 8.1454 125.4808 50.1962 20.2207 176.3361 57 F 4.9463 9.0057 120.8024 55.4586 41.9213 175.7169 58 S 4.3561 9.2042 118.2056 61.1408 63.3641 174.8020 59 S 4.8958 7.6930 113.6757 55.8386 67.0968 174.6852 60 L 3.7213 7.7454 121.5708 57.2552 41.3932 179.1912 61 D 4.3278 7.7970 118.5965 56.7558 40.8088 177.9870 62 D 4.2825 7.6731 119.1435 57.0246 41.1262 178.2049 63 R 3.0225 7.5739 118.9045 58.9880 29.9435 178.2564 64 A 3.7846 7.6305 120.5240 55.0531 18.2385 179.1970 65 E 3.7774 8.0977 117.6361 59.5529 29.7714 179.3307 66 R 3.9023 8.1826 118.4191 59.3969 29.9347 179.3621 67 R 3.8128 7.9651 116.7421 58.7232 30.0321 178.6528 68 A 4.0872 7.6292 120.3439 55.1077 18.7057 179.5947 69 R 4.0356 7.7504 116.4514 58.9305 29.8819 179.6295 70 L 3.5646 7.3457 117.2529 55.1535 42.0117 177.5842 *72 A 4.2497 8.0019 121.3920 51.2486 20.6585 177.1988 73 D 4.4339 7.7308 116.0475 53.6888 41.4072 175.2535 74 P 4.4316 0.0000 0.0000 65.6449 30.9151 178.4160 75 R 4.1110 8.7004 118.6106 58.6230 29.9173 178.5259 76 W 4.4718 8.3873 128.5441 60.4944 30.5309 178.2167 77 L 3.9201 8.0225 117.5333 57.6769 41.1837 179.0777 78 S 4.2761 7.7447 113.8668 60.6338 63.0605 175.9925 79 F 4.2947 7.7691 123.3665 60.8741 39.3301 177.3487 80 L 3.1484 7.4049 118.9697 57.3558 41.2112 177.8996 81 P 4.1680 0.0000 0.0000 64.7425 31.2963 177.9198 82 K 4.1020 7.7541 116.4760 57.2790 32.4574 177.1640 83 I 4.5209 7.3133 110.3794 59.7126 39.0160 177.1963 84 R 3.7465 7.9500 121.1216 59.0954 29.8334 176.4080 85 D 4.7528 7.8069 114.0559 54.1072 41.7388 176.8786 86 L 4.2517 7.7818 120.2836 56.1252 42.2554 176.5598 87 I 4.4652 7.5785 119.4546 60.3416 38.1169 174.7225 88 E 4.3991 9.3860 125.6464 57.9515 31.0205 176.3777 89 V 4.6013 7.6408 117.8273 61.1413 35.1891 173.7216 90 A 5.6305 8.5290 126.5982 50.5942 22.6668 174.5876 91 E 4.9877 8.5562 114.3621 55.9778 32.2991 174.3256 92 N 5.7736 8.7931 117.4652 51.5210 40.9758 173.3560 93 K 4.7811 9.0888 117.9361 55.7917 36.4484 175.1104 94 I 5.4821 8.1851 121.4441 59.0253 39.8114 175.2680 *96 K 4.1438 8.3670 122.3795 55.5711 33.0786 174.2801 97 P 4.1837 0.0000 0.0000 62.0057 32.3751 176.2376 98 A 3.9240 7.8357 123.3358 51.6084 18.9027 178.7749 99 R 3.7982 8.1202 118.9329 58.7398 30.2293 177.9087 100 F 4.7876 6.8611 110.7587 56.4035 38.1868 175.1530 101 S 4.4646 7.4816 115.9800 57.1195 63.0611 172.4529 102 P 4.3845 0.0000 0.0000 65.5772 31.4399 176.4247 103 L 4.2402 7.6784 120.9725 54.9925 41.5635 176.6772 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 2 F 8.18 4.72 0.00 3.34 3.16 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 3 Y 8.78 4.82 0.00 3.09 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 4 E 10.69 5.22 0.00 2.26 2.21 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 2.42 2.40 0.00 5 I 9.23 4.94 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 1.31 0.67 0.93 0.00 0.00 6 R 8.61 5.04 0.00 1.28 1.70 0.00 3.15 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 7 T 8.95 4.95 4.28 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 1.24 0.00 0.00 8 Y 8.90 5.38 0.00 2.79 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 9 R 9.16 4.91 0.00 1.86 1.80 0.00 3.10 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 10 L 8.91 4.89 0.00 1.50 1.71 0.61 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.85 4.29 0.00 1.78 1.69 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.38 7.81 12 N 8.79 4.44 0.00 2.71 2.77 0.00 0.00 7.28 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 13 G 9.32 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.23 4.36 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 15 I 7.79 3.68 1.89 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.64 0.78 0.00 0.00 16 P 0.00 4.14 0.00 2.15 2.07 0.00 3.70 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 2.11 2.12 0.00 17 A 7.97 3.97 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 18 Y 8.34 3.95 0.00 3.13 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 19 L 8.58 4.04 0.00 1.64 1.63 0.34 0.74 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 20 K 8.03 3.90 0.00 1.95 1.91 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.42 7.81 21 V 7.71 3.67 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 0.92 0.00 0.00 1.04 0.00 0.00 22 V 7.72 3.47 1.88 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 0.80 0.00 0.00 0.43 0.00 0.00 23 E 7.77 3.81 0.00 1.94 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 0.00 2.28 2.29 0.00 24 D 8.23 4.53 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.62 0.00 2.07 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 2.25 2.26 0.00 26 G 7.30 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 0.00 0.00 0.00 27 I 7.96 3.80 1.79 0.00 0.00 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 1.48 1.50 0.89 0.00 0.00 28 E 8.05 3.98 0.00 2.00 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 0.00 2.37 2.33 0.00 29 I 7.70 3.71 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.87 1.07 0.00 0.00 30 Q 8.22 3.34 0.00 1.90 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 31 K 8.62 4.33 0.00 1.90 1.95 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.74 1.94 7.81 32 S 8.09 4.21 0.00 3.95 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 33 H 7.13 4.56 0.00 3.12 3.20 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.83 4.24 0.00 1.13 1.44 -0.29 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.67 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 36 E 9.10 4.53 0.00 1.79 1.80 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 2.26 2.23 0.00 37 L 8.24 3.31 0.00 0.63 1.19 -0.08 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.53 3.83 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 0.84 0.00 0.00 0.99 0.00 0.00 39 G 6.97 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 7.57 4.64 0.00 2.72 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 41 F 9.44 5.48 0.00 2.95 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 42 F 8.34 5.71 0.00 3.07 3.06 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 43 S 8.83 4.29 0.00 3.99 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 44 E 8.70 4.60 0.00 1.76 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 2.14 2.35 0.00 45 I 8.08 4.53 1.84 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 1.34 0.77 0.90 0.00 0.00 46 G 8.80 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 47 P 0.00 4.31 0.00 2.17 2.03 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 48 I 8.18 4.28 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.71 0.95 0.00 0.00 49 N 8.74 4.32 0.00 2.95 3.07 0.00 0.00 6.46 7.66 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 50 E 8.08 5.25 0.00 2.10 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 2.24 2.42 0.00 51 I 8.65 5.17 1.80 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.29 0.97 0.00 0.00 52 V 9.14 4.83 2.25 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 1.09 0.00 0.00 0.96 0.00 0.00 53 H 8.71 5.03 0.00 2.60 1.62 0.00 5.27 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.48 5.18 1.83 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.00 1.07 0.00 0.00 55 W 9.26 5.07 0.00 3.22 2.68 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 56 A 8.15 4.71 0.72 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 0.00 0.00 57 F 9.01 4.95 0.00 2.93 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 58 S 9.20 4.36 0.00 4.05 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 59 S 7.69 4.90 0.00 4.02 4.05 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 60 L 7.75 3.72 0.00 1.32 1.42 0.60 0.52 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 61 D 7.80 4.33 0.00 2.62 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 62 D 7.67 4.28 0.00 2.75 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 0.00 63 R 7.57 3.02 0.00 0.76 1.56 0.00 2.54 0.00 0.00 2.79 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 64 A 7.63 3.78 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 65 E 8.10 3.78 0.00 2.27 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 0.00 2.27 2.31 0.00 66 R 8.18 3.90 0.00 2.03 2.07 0.00 3.49 0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.81 0.00 67 R 7.97 3.81 0.00 1.64 1.86 0.00 2.96 0.00 0.00 2.99 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.50 0.00 68 A 7.63 4.09 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 69 R 7.75 4.04 0.00 1.97 2.00 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.81 0.00 70 L 7.35 3.56 0.00 1.27 1.45 -0.30 0.11 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 *72 A 8.00 4.25 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 73 D 7.73 4.43 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 74 P 0.00 4.43 0.00 2.34 2.33 0.00 3.80 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 75 R 8.70 4.11 0.00 2.11 2.12 0.00 3.17 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 76 W 8.39 4.47 0.00 3.37 3.35 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 77 L 8.02 3.92 0.00 1.83 1.72 0.96 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 78 S 7.74 4.28 0.00 4.05 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 79 F 7.77 4.29 0.00 3.05 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 80 L 7.40 3.15 0.00 1.39 1.41 0.77 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.17 0.00 1.87 2.00 0.00 3.53 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.05 0.00 82 K 7.75 4.10 0.00 1.16 1.65 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.28 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.34 1.30 7.81 83 I 7.31 4.52 1.98 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 0.56 0.54 0.62 0.00 0.00 84 R 7.95 3.75 0.00 1.78 1.88 0.00 3.14 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 85 D 7.81 4.75 0.00 2.65 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 86 L 7.78 4.25 0.00 2.01 1.82 1.03 0.85 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 87 I 7.58 4.47 1.73 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.62 0.00 0.00 88 E 9.39 4.40 0.00 1.99 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 0.00 2.26 2.23 0.00 89 V 7.64 4.60 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 1.00 0.00 0.00 0.95 0.00 0.00 90 A 8.53 5.63 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 91 E 8.56 4.99 0.00 2.05 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 2.26 2.28 0.00 92 N 8.79 5.77 0.00 2.75 2.87 0.00 0.00 5.84 7.13 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 93 K 9.09 4.78 0.00 1.85 1.93 0.00 1.32 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 94 I 8.19 5.48 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 2.05 1.18 0.00 0.00 *96 K 8.37 4.14 0.00 1.74 1.70 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.46 7.81 97 P 0.00 4.18 0.00 2.13 1.88 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 98 A 7.84 3.92 0.15 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 99 R 8.12 3.80 0.00 1.84 2.03 0.00 3.20 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 100 F 6.86 4.79 0.00 3.11 3.14 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 0.00 101 S 7.48 4.46 0.00 3.61 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 0.00 102 P 0.00 4.38 0.00 2.07 2.10 0.00 3.67 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 2.02 2.12 0.00 103 L 7.68 4.24 0.00 1.29 1.37 0.80 0.88 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 * Residues marked with a * may have inaccurate shift predictions.