NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6012 8.4201 119.2048 53.0800 39.6285 174.8639 0 A 3.9085 7.9984 129.9816 52.2524 18.0904 176.9469 2 S 3.5261 8.8974 112.8369 59.6986 63.2405 169.0985 3 D 4.6057 8.5762 127.0802 54.4350 41.9566 175.3621 4 T 4.6911 8.3683 119.8633 61.9685 70.1797 173.6827 5 L 4.6487 8.5288 129.0392 53.5064 44.4726 174.3471 6 Y 5.1560 9.2844 124.7365 56.4822 40.4858 174.7887 7 I 5.0269 8.6288 124.3495 59.4216 40.5071 174.6418 8 K 4.8891 8.8986 127.3136 54.5335 35.9899 174.2798 *10 D 4.5974 8.4399 121.6538 54.1485 41.7314 175.8925 11 Q 4.2148 8.6934 122.4425 59.1278 30.1100 175.6917 12 A 5.2249 7.6410 117.0867 50.9721 22.5010 176.0592 13 V 4.4397 8.7746 113.4211 59.9078 36.4993 173.9525 14 E 5.1857 9.0396 124.7154 54.5083 30.6419 175.6709 15 I 4.6484 8.4314 117.6505 59.2655 41.2448 175.0013 16 T 5.0867 8.1448 115.7689 58.2375 67.0032 173.1527 17 K 4.4435 7.9238 125.7118 55.9700 35.6831 174.9872 18 K 4.0964 8.8052 124.6342 59.1359 32.6873 176.6752 19 Q 5.1930 8.0518 114.8556 54.2246 31.8573 174.6533 20 V 4.7282 8.8196 119.9066 61.4104 34.5917 174.7179 21 T 4.8031 10.3775 117.8371 59.6710 71.5393 175.5471 22 V 3.5851 8.6437 121.7548 66.1671 32.0294 178.3518 23 G 3.6628 8.7137 109.0525 48.6904 0.0000 174.9684 24 D 4.4420 7.7061 119.6865 56.6077 40.8650 178.0682 25 V 4.1795 7.7197 115.5392 61.6468 32.6537 175.4182 26 A 4.8141 7.2960 120.0516 50.7601 22.4104 176.1700 27 K 4.3782 9.0797 121.1747 56.0040 33.6842 176.2045 28 L 5.3723 8.3547 122.0815 53.2939 45.7178 175.7315 29 Q 4.6228 8.7972 121.6917 55.1897 32.8540 172.9647 30 C 5.0435 8.4574 123.5562 58.5856 34.0074 173.6767 31 K 3.9769 9.0590 125.8871 59.5738 32.1464 177.1216 32 N 4.5577 7.8908 119.8077 52.4403 37.6096 175.0356 33 K 4.0181 8.4523 125.7863 59.0572 32.1668 178.5451 34 N 4.4222 8.5300 117.2274 56.1243 38.2920 177.5003 35 I 3.3572 7.6552 121.2108 64.4253 37.1651 178.6249 36 T 3.8442 7.6484 110.1805 64.6899 68.5191 176.0354 37 N 4.2863 8.3103 119.0390 56.1899 38.3625 177.0095 38 R 4.1287 8.1861 119.7579 59.3308 30.1356 178.1885 39 L 4.1350 8.1996 119.1555 58.1449 42.3880 178.3974 40 K 4.0761 8.2007 119.5470 58.4380 33.0313 176.3574 41 S 4.2616 7.2824 115.4940 56.5872 61.3405 173.1058 *43 K 4.1369 7.6237 120.4133 56.0568 33.4517 175.5769 44 L 4.6569 8.3421 123.0994 55.5592 44.6453 176.3605 45 L 4.5912 7.2070 117.3647 54.3965 44.9942 172.7194 46 E 4.9998 8.5621 121.8140 53.6913 33.0290 175.2488 47 D 3.9317 7.6317 121.0709 53.9458 37.9042 176.1298 48 T 3.8264 7.7324 119.7999 66.9799 69.3177 175.5348 49 T 4.2749 7.5990 119.9409 62.6665 68.2905 175.5294 50 K 4.1455 8.6774 127.0105 58.6763 32.3816 177.8721 51 G 4.0087 7.9440 107.0626 44.9198 0.0000 173.2791 52 K 4.2629 7.7265 118.1850 55.1132 35.2222 174.4959 53 K 4.6439 8.6898 126.8826 56.9106 34.6204 175.5775 54 R 5.2809 7.8687 118.4170 54.5641 32.3024 175.0242 55 Y 4.8735 9.5936 120.8987 56.0879 42.5022 174.1562 56 I 5.1550 8.3604 119.1962 59.4860 41.5785 174.2108 57 V 4.4726 8.7488 128.0009 61.1068 33.8279 174.7991 58 S 5.0360 8.6009 122.0091 56.1453 64.2486 174.7818 59 I 4.0715 8.6247 125.9016 60.6316 37.0298 177.6556 *61 K 4.2140 8.0816 123.0341 56.6322 34.1408 177.2711 62 I 3.8341 7.2725 118.3162 64.6405 37.3957 177.3094 63 I 3.8497 8.2827 121.5589 64.7107 37.1520 179.0047 64 E 4.2393 7.7853 117.4987 56.5043 29.0638 178.3918 *66 A 4.5298 8.1980 120.6179 51.9604 20.3553 179.6345 67 D 4.4560 8.2057 114.1513 57.3687 41.0532 178.0743 68 Q 4.1303 8.0205 119.5847 57.9427 29.2709 176.4763 69 T 4.0900 7.5004 105.8767 61.4717 69.9003 174.4275 70 F 5.0088 7.8083 120.1249 55.6711 41.7609 174.5911 71 Q 4.6408 8.5814 121.9279 54.9783 31.2517 174.5493 72 N 4.1845 8.6110 113.2827 54.7857 36.1357 174.2489 73 V 4.8847 7.7037 115.9678 61.2707 34.3203 174.4814 74 D 4.7970 8.8246 127.8335 53.5427 42.6717 175.3573 75 I 4.7673 8.1850 122.2919 59.4824 39.9360 174.7610 76 Q 4.4531 8.7103 128.0319 54.0490 31.2215 173.9112 77 N 4.9487 8.8240 126.0409 53.8908 39.2360 174.3875 78 I 4.3649 9.1634 125.5200 61.5772 39.9206 176.6198 79 G 4.0699 7.9498 113.3698 45.1405 0.0000 172.8738 80 E 4.2963 8.6811 125.3094 56.6180 30.4012 176.1494 81 T 4.5818 8.3219 107.9459 61.8881 71.1600 173.9222 82 E 5.1657 8.0613 121.3927 54.5872 34.0148 173.8792 83 C 5.0698 9.1649 124.1557 57.4473 34.6640 172.8320 84 V 4.2339 8.6407 127.0524 62.6149 32.4863 174.5918 85 V 4.7985 9.2358 128.8501 60.9148 33.6440 173.9193 86 E 5.2552 8.6607 125.5832 54.6458 32.2652 175.4995 87 F 5.1389 9.1086 121.7327 55.7560 40.9240 174.8469 88 K 4.3514 8.2281 119.2845 58.0073 35.0408 174.0123 89 T 4.5420 8.2899 110.4486 60.0712 69.0306 171.9241 90 P 4.4193 0.0000 0.0000 62.9711 31.3007 176.7343 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 N 8.42 4.60 0.00 2.68 2.82 0.00 0.00 6.95 7.08 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 A 8.00 3.91 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 2 S 8.90 3.53 0.00 3.90 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 3 D 8.58 4.61 0.00 2.59 2.49 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 4 T 8.37 4.69 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 0.36 0.00 0.00 5 L 8.53 4.65 0.00 1.55 1.50 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 9.28 5.16 0.00 2.85 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.63 5.03 1.89 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 1.13 0.67 0.93 0.00 0.00 8 K 8.90 4.89 0.00 1.81 1.62 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.38 7.81 *10 D 8.44 4.60 0.00 2.70 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 11 Q 8.69 4.21 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 12 A 7.64 5.22 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.77 4.44 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 0.74 0.00 0.00 0.91 0.00 0.00 14 E 9.04 5.19 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.12 0.00 15 I 8.43 4.65 1.86 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.24 0.81 0.00 0.00 16 T 8.14 5.09 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 1.30 0.00 0.00 17 K 7.92 4.44 0.00 1.74 1.76 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.43 7.81 18 K 8.81 4.10 0.00 1.71 1.75 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.43 7.81 19 Q 8.05 5.19 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.68 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 20 V 8.82 4.73 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 1.04 0.00 0.00 0.90 0.00 0.00 21 T 10.38 4.80 4.35 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 1.25 0.00 0.00 22 V 8.64 3.59 2.28 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 1.08 0.00 0.00 0.97 0.00 0.00 23 G 8.71 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 0.00 0.00 0.00 24 D 7.71 4.44 0.00 2.78 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 25 V 7.72 4.18 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 0.71 0.00 0.00 0.91 0.00 0.00 26 A 7.30 4.81 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.08 4.38 0.00 1.76 1.73 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.46 7.81 28 L 8.35 5.37 0.00 1.48 1.53 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 8.80 4.62 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.15 2.44 0.00 30 C 8.46 5.04 0.00 2.93 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 31 K 9.06 3.98 0.00 1.80 1.86 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.47 7.81 32 N 7.89 4.56 0.00 2.80 2.65 0.00 0.00 7.17 5.97 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 33 K 8.45 4.02 0.00 1.87 1.85 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.59 7.81 34 N 8.53 4.42 0.00 2.90 2.90 0.00 0.00 6.85 7.07 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 35 I 7.66 3.36 1.68 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.47 -0.03 0.00 0.00 36 T 7.65 3.84 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 37 N 8.31 4.29 0.00 2.91 2.96 0.00 0.00 7.00 7.24 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 38 R 8.19 4.13 0.00 2.11 2.26 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 39 L 8.20 4.13 0.00 1.92 1.82 1.05 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.20 4.08 0.00 2.04 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 41 S 7.28 4.26 0.00 3.96 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 *43 K 7.62 4.14 0.00 1.77 1.78 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.44 7.81 44 L 8.34 4.66 0.00 1.72 1.66 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.21 4.59 0.00 1.75 1.44 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.56 5.00 0.00 1.81 1.77 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 2.10 2.20 0.00 47 D 7.63 3.93 0.00 1.58 2.16 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 48 T 7.73 3.83 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 1.22 0.00 0.00 49 T 7.60 4.27 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 1.23 0.00 0.00 50 K 8.68 4.15 0.00 1.74 1.87 0.00 1.86 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.36 7.81 51 G 7.94 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 52 K 7.73 4.26 0.00 1.60 1.57 0.00 1.49 0.00 0.00 0.80 0.00 0.00 2.65 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.94 1.19 7.81 53 K 8.69 4.64 0.00 1.92 1.81 0.00 1.80 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.65 7.81 54 R 7.87 5.28 0.00 1.65 1.80 0.00 3.20 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 55 Y 9.59 4.87 0.00 2.79 2.91 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 56 I 8.36 5.15 1.90 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 1.38 1.11 0.95 0.00 0.00 57 V 8.75 4.47 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 0.90 0.00 0.00 0.94 0.00 0.00 58 S 8.60 5.04 0.00 3.96 3.71 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 59 I 8.62 4.07 1.88 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 1.19 1.26 0.96 0.00 0.00 *61 K 8.08 4.21 0.00 1.87 1.84 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 62 I 7.27 3.83 2.01 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 1.32 0.66 0.94 0.00 0.00 63 I 8.28 3.85 1.88 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 1.19 0.78 0.92 0.00 0.00 64 E 7.79 4.24 0.00 2.07 1.91 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 2.30 2.26 0.00 *66 A 8.20 4.53 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.46 0.00 2.85 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 68 Q 8.02 4.13 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 69 T 7.50 4.09 3.83 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 0.00 0.00 0.00 1.00 0.00 0.00 70 F 7.81 5.01 0.00 3.10 2.95 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 71 Q 8.58 4.64 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.89 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 72 N 8.61 4.18 0.00 2.98 2.87 0.00 0.00 6.21 7.68 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 73 V 7.70 4.88 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 0.77 0.00 0.00 0.89 0.00 0.00 74 D 8.82 4.80 0.00 2.57 2.48 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 75 I 8.18 4.77 1.84 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 1.20 0.54 0.88 0.00 0.00 76 Q 8.71 4.45 0.00 1.89 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 77 N 8.82 4.95 0.00 2.79 2.71 0.00 0.00 7.03 7.94 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 78 I 9.16 4.36 2.04 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 1.48 1.20 0.92 0.00 0.00 79 G 7.95 4.07 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 80 E 8.68 4.30 0.00 1.97 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 2.32 2.33 0.00 81 T 8.32 4.58 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 82 E 8.06 5.17 0.00 1.86 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 0.00 2.29 2.22 0.00 83 C 9.16 5.07 0.00 2.96 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 84 V 8.64 4.23 2.07 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 0.92 0.00 0.00 0.93 0.00 0.00 85 V 9.24 4.80 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 0.43 0.00 0.00 0.85 0.00 0.00 86 E 8.66 5.26 0.00 2.13 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 2.17 2.28 0.00 87 F 9.11 5.14 0.00 3.05 2.99 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 88 K 8.23 4.35 0.00 1.88 2.01 0.00 1.54 0.00 0.00 1.89 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.25 7.81 89 T 8.29 4.54 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 1.24 0.00 0.00 90 P 0.00 4.42 0.00 2.07 2.02 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.