NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 E 4.1956 8.4331 121.4731 55.0439 31.4647 176.4020 12 G 3.8578 9.6276 105.6223 44.6085 0.0000 172.6377 13 N 4.7804 8.7800 119.0946 51.6084 41.4387 170.8147 14 P 4.4985 0.0000 0.0000 64.4172 31.7928 177.7843 15 L 4.1630 8.1051 121.7897 58.9494 41.9608 179.1776 *16 D 4.4842 8.0066 119.6490 58.2998 39.6512 180.6100 17 K 4.2828 7.7928 117.8857 59.0530 32.1148 179.2702 18 W 4.1240 8.7325 129.1047 60.5444 30.6565 177.6297 19 N 4.1379 9.1007 116.7541 56.4619 38.0821 176.6933 20 D 4.4137 7.9231 119.3581 57.4820 41.2740 178.5439 21 I 3.6263 7.6447 120.0646 64.4954 36.9327 178.2994 22 I 3.2517 6.7615 120.4568 63.4565 36.8143 177.9374 23 F 4.3505 7.5712 116.7003 59.0239 39.1382 176.7888 24 H 4.8788 7.7954 113.0278 54.7192 29.8129 174.6620 25 A 4.3662 7.7573 124.3956 50.6635 19.5698 177.8168 26 S 4.2834 8.5135 116.8980 59.3189 64.6383 176.3233 27 K 3.9221 8.8002 130.9695 60.5193 31.3936 179.5230 *28 K 4.0932 8.0589 123.9402 60.0329 31.4802 181.2853 29 L 4.1598 7.5495 119.0508 57.6559 41.0872 179.9135 30 S 4.0266 8.2667 117.5922 62.1563 62.7525 177.6238 31 K 3.9881 8.3665 126.7656 59.4255 31.4939 180.7454 32 K 4.0528 7.9983 120.9452 59.4599 32.0382 178.5595 33 E 3.9670 8.3955 119.6964 59.3163 29.5334 178.7434 34 L 4.0822 8.1499 119.2656 57.8421 41.6035 179.1465 35 E 3.9338 8.2730 119.2910 59.0595 29.4854 178.9239 36 R 3.8885 7.8134 118.5816 59.3655 30.1372 178.5431 37 L 4.0538 8.0065 118.8907 57.6269 41.5252 179.4812 38 L 3.9935 8.2123 119.2340 57.7787 41.5395 179.0866 39 E 3.9202 8.5033 119.5557 59.1462 29.4271 178.9068 40 L 3.9388 7.9162 119.0314 57.7817 41.6696 179.2239 41 L 3.9154 8.1264 120.0933 58.0395 41.9607 178.8969 42 A 3.9748 8.2942 120.9525 55.0118 18.3531 179.5925 43 L 3.9045 8.2747 117.9216 58.0219 41.6007 179.0730 44 C 3.9965 8.2013 118.6952 62.7519 31.5415 175.6002 45 E 3.8196 8.3565 120.0474 59.6896 29.0560 179.4465 46 T 3.8672 8.0580 115.8282 66.5755 68.4102 176.3129 47 F 4.1898 8.3045 122.4647 61.3832 39.2957 177.1264 48 I 3.4392 7.4643 119.3408 64.4842 36.7494 178.3296 49 E 3.8899 7.9141 118.8079 59.1833 29.0508 179.3219 50 K 3.8704 8.1770 119.2455 59.1031 32.3909 177.7712 51 E 3.9025 7.9151 117.1233 55.2333 30.9975 174.9228 52 D 4.7526 7.2400 116.3749 55.5160 39.5778 173.0443 53 L 4.7366 8.2152 116.6592 54.0534 43.9185 178.7359 54 E 4.0487 8.5419 120.8959 59.8242 29.1000 179.1967 55 E 4.0303 8.1602 116.6595 59.5509 29.2808 179.1318 56 K 4.0298 8.0564 119.0872 58.8865 32.0857 178.9850 57 F 4.4003 8.7001 121.5474 61.2618 39.2446 177.2854 58 E 3.9685 8.4872 118.5244 59.1470 29.3080 179.3584 59 S 4.2135 7.9061 114.4029 60.9746 63.0651 176.4002 60 F 4.1187 7.6525 122.4694 61.0631 39.4871 176.7522 61 A 3.8933 8.3023 123.3735 55.5291 17.5496 180.4017 62 K 3.9514 7.8509 121.8681 59.5352 31.8293 181.7657 63 A 4.1883 7.8137 120.2899 54.7153 17.9247 179.3547 64 L 3.7743 7.0881 120.4834 59.0827 42.1669 179.7967 65 R 4.0829 7.6131 120.9048 61.4028 29.3435 179.9172 66 I 4.2911 7.5582 114.0002 60.2787 37.1167 178.1307 67 D 4.6998 8.0792 122.1020 53.7686 41.4308 177.5556 68 E 4.1869 8.6726 126.9769 61.0258 29.6986 175.2777 69 E 4.1623 8.2298 118.0524 59.4708 29.5578 178.9708 70 L 3.9569 7.6941 119.0851 57.9688 41.9973 178.7189 71 Q 3.9283 8.0009 118.1501 59.3386 28.7045 179.1756 72 Q 4.0418 7.8932 118.7773 58.4382 28.6160 178.3875 73 K 3.9597 7.7820 120.6047 59.5123 32.1759 179.0393 74 I 3.7721 8.0130 120.2335 64.4708 37.0760 178.1185 75 E 3.9258 7.9352 119.3025 59.4527 29.2311 179.5006 76 S 4.0335 8.1306 113.0570 61.4711 62.5384 176.2985 77 R 3.9112 7.7378 121.3301 59.0526 29.7264 178.3635 78 K 3.7654 8.1563 118.5254 59.8572 32.0793 179.1637 79 T 3.7974 7.7526 115.6156 66.7901 68.4121 176.3257 80 D 4.3269 8.0296 120.5181 57.4605 40.7882 178.9170 81 I 3.6161 8.1365 120.5332 64.3859 37.0428 178.6674 82 V 3.0961 7.7438 119.0583 65.8061 31.2405 178.1047 83 I 3.7159 7.8468 119.5622 64.5180 37.0063 178.2478 84 Q 3.9518 8.0225 120.3359 59.0479 28.8757 178.0032 85 S 4.5071 8.3025 115.8540 61.2780 62.4900 176.1319 86 M 4.1666 8.5135 121.1473 58.3802 31.6582 178.6378 87 A 4.0456 8.2134 120.9886 55.2618 18.3424 179.4295 88 N 4.3063 8.4834 114.3094 56.4632 39.0050 177.5263 89 I 3.9351 8.0174 123.6041 65.0906 37.3167 179.1705 90 L 4.0676 8.4074 123.4825 59.4303 40.7633 181.1124 91 S 4.4489 8.4026 113.1093 61.4913 62.1435 176.4784 92 G 3.8133 7.7621 106.7208 47.1011 0.0000 175.6726 93 L 4.1585 7.5145 120.1733 58.0864 41.2973 179.2379 94 E 3.9542 8.1708 117.7796 59.7395 27.7532 178.9092 95 H 4.1059 7.8560 114.6009 57.6988 28.5822 176.1479 96 H 4.5335 8.1143 116.9552 55.5916 30.0538 174.5569 *97 H 4.8611 7.8679 117.7661 55.0855 28.1595 180.6503 *98 H 4.7954 8.2815 117.4935 57.4911 30.7189 177.4585 *99 H 4.5091 7.7620 120.6372 54.5261 28.9634 174.9078 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 11 E 8.43 4.20 0.00 1.97 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 0.00 2.21 2.28 0.00 12 G 9.63 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 0.00 0.00 0.00 13 N 8.78 4.78 0.00 2.77 2.84 0.00 0.00 7.06 8.77 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 14 P 0.00 4.50 0.00 2.22 2.11 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 15 L 8.11 4.16 0.00 1.75 1.75 0.90 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *16 D 8.01 4.48 0.00 2.78 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 17 K 7.79 4.28 0.00 2.10 1.95 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.63 7.81 18 W 8.73 4.12 0.00 3.43 3.45 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 19 N 9.10 4.14 0.00 3.00 3.07 0.00 0.00 6.70 8.06 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 20 D 7.92 4.41 0.00 2.96 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 21 I 7.64 3.63 1.82 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 1.61 0.75 0.79 0.00 0.00 22 I 6.76 3.25 0.85 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 -0.36 -0.12 0.00 0.00 23 F 7.57 4.35 0.00 2.73 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 24 H 7.80 4.88 0.00 3.19 3.34 0.00 5.67 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.76 4.37 1.24 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 26 S 8.51 4.28 0.00 4.03 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 27 K 8.80 3.92 0.00 1.78 1.87 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.08 7.81 *28 K 8.06 4.09 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.12 7.81 29 L 7.55 4.16 0.00 1.80 1.72 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.27 4.03 0.00 3.72 3.68 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 8.37 3.99 0.00 1.73 1.82 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 32 K 8.00 4.05 0.00 2.04 2.00 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 33 E 8.40 3.97 0.00 2.20 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 2.40 2.53 0.00 34 L 8.15 4.08 0.00 1.71 1.73 0.78 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.27 3.93 0.00 2.18 2.10 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 2.31 2.32 0.00 36 R 7.81 3.89 0.00 2.06 2.14 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 37 L 8.01 4.05 0.00 1.97 1.72 1.10 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.21 3.99 0.00 1.86 1.73 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.50 3.92 0.00 2.14 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 0.00 2.30 2.36 0.00 40 L 7.92 3.94 0.00 2.06 1.69 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.13 3.92 0.00 1.76 1.84 0.95 0.96 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 42 A 8.29 3.97 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 43 L 8.27 3.90 0.00 1.89 1.69 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 C 8.20 4.00 0.00 3.07 3.11 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 45 E 8.36 3.82 0.00 2.09 1.95 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 2.24 2.50 0.00 46 T 8.06 3.87 4.42 0.00 0.00 0.00 0.00 0.00 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 47 F 8.30 4.19 0.00 3.14 3.22 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 0.00 48 I 7.46 3.44 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.18 0.72 0.00 0.00 49 E 7.91 3.89 0.00 2.13 1.95 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 2.38 2.32 0.00 50 K 8.18 3.87 0.00 1.85 1.79 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.59 7.81 51 E 7.92 3.90 0.00 1.42 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.11 0.00 52 D 7.24 4.75 0.00 2.72 2.60 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 53 L 8.22 4.74 0.00 1.58 1.58 0.77 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.54 4.05 0.00 2.07 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 0.00 2.42 2.45 0.00 55 E 8.16 4.03 0.00 2.18 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 0.00 2.38 2.35 0.00 56 K 8.06 4.03 0.00 2.11 1.94 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.06 7.81 57 F 8.70 4.40 0.00 3.11 3.27 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 0.00 58 E 8.49 3.97 0.00 2.25 1.99 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 2.37 2.60 0.00 59 S 7.91 4.21 0.00 4.05 4.13 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 0.00 0.00 0.00 60 F 7.65 4.12 0.00 3.09 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 61 A 8.30 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.85 3.95 0.00 1.74 1.83 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 63 A 7.81 4.19 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 64 L 7.09 3.77 0.00 1.52 1.77 0.82 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.61 4.08 0.00 1.98 1.84 0.00 3.30 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 66 I 7.56 4.29 1.87 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 1.30 1.17 0.91 0.00 0.00 67 D 8.08 4.70 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.67 4.19 0.00 2.01 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 2.31 1.97 0.00 69 E 8.23 4.16 0.00 2.17 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 2.39 2.35 0.00 70 L 7.69 3.96 0.00 1.90 1.52 0.81 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.00 3.93 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 72 Q 7.89 4.04 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 73 K 7.78 3.96 0.00 2.08 1.97 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.36 7.81 74 I 8.01 3.77 1.84 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.61 0.90 0.00 0.00 75 E 7.94 3.93 0.00 2.16 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 2.42 2.46 0.00 76 S 8.13 4.03 0.00 3.90 4.09 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 0.00 0.00 0.00 0.00 77 R 7.74 3.91 0.00 1.91 1.91 0.00 3.19 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 78 K 8.16 3.77 0.00 1.95 1.77 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.44 7.81 79 T 7.75 3.80 4.38 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 1.20 0.00 0.00 80 D 8.03 4.33 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.62 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.75 0.00 0.00 82 V 7.74 3.10 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 1.13 0.00 0.00 0.16 0.00 0.00 83 I 7.85 3.72 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 1.43 0.50 0.93 0.00 0.00 84 Q 8.02 3.95 0.00 2.19 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 85 S 8.30 4.51 0.00 4.10 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 86 M 8.51 4.17 0.00 2.18 2.36 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.20 2.75 0.00 87 A 8.21 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.48 4.31 0.00 2.93 2.93 0.00 0.00 7.11 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.02 3.94 1.86 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 1.36 1.08 0.87 0.00 0.00 90 L 8.41 4.07 0.00 1.60 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.40 4.45 0.00 4.05 4.08 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 92 G 7.76 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 93 L 7.51 4.16 0.00 1.75 1.72 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.17 3.95 0.00 1.99 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 2.37 2.32 0.00 95 H 7.86 4.11 0.00 3.13 3.13 0.00 5.56 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 96 H 8.11 4.53 0.00 3.14 3.30 0.00 5.60 0.00 0.00 0.00 0.00 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *97 H 7.87 4.86 0.00 2.75 2.92 0.00 7.15 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *98 H 8.28 4.80 0.00 2.86 2.91 0.00 7.14 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 H 7.76 4.51 0.00 2.80 2.86 0.00 7.20 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 * Residues marked with a * may have inaccurate shift predictions.