NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 F 4.6923 8.3244 122.8190 58.2265 40.5666 174.0984 3 S 3.7612 7.1031 120.4808 56.6716 65.0012 171.9036 4 A 4.3658 8.7684 130.4758 51.5824 20.0281 176.4216 5 K 4.0315 7.4184 117.5402 57.0222 32.5381 177.5154 6 K 4.1714 8.2529 121.8620 55.8473 32.7382 176.8078 7 L 4.0952 8.1955 121.4324 54.5413 41.9109 178.3017 8 S 4.4403 8.7277 119.6668 57.1477 65.2257 173.2719 9 P 4.1971 0.0000 0.0000 65.9592 31.0299 178.8230 10 A 3.9940 7.9209 118.8867 55.1946 18.3580 179.2729 11 D 4.3069 8.2797 117.4991 57.3460 40.8957 179.1379 12 K 3.9512 8.1774 119.0108 59.5540 32.0087 179.4642 13 L 4.0090 8.2419 119.5699 57.4162 41.4673 179.3709 14 K 3.8750 8.1033 119.7224 59.5516 31.9099 178.2709 15 N 4.2586 8.0036 115.8374 56.7684 38.9518 176.5298 16 I 3.8314 7.5691 119.8300 64.5653 37.5185 178.1926 17 S 4.3363 8.3017 116.1753 61.5388 62.6097 177.3318 18 S 4.3054 7.8850 112.7951 58.9291 61.9293 175.6613 *20 L 4.2491 7.8713 121.7200 54.2584 43.5794 178.7673 21 E 3.9457 8.7173 119.0389 59.1711 29.1388 178.4335 22 E 3.9435 7.8071 118.2404 59.3035 29.9697 178.6899 23 I 3.8547 7.6648 119.2154 64.3703 37.0814 178.1062 24 V 3.5962 7.5359 117.6981 66.1523 31.3987 177.1545 25 E 4.5310 7.9622 114.3560 56.0292 30.4264 177.4154 26 D 4.6534 7.9747 120.6635 53.1131 40.1764 176.2063 27 T 4.1198 8.0680 113.0044 62.8717 68.9816 175.7732 28 T 4.1968 7.9081 118.3329 64.4608 69.0410 174.6519 29 V 4.3289 7.5742 122.0456 59.8353 33.3516 173.4497 30 P 4.2214 0.0000 0.0000 63.3226 31.9686 177.4603 31 R 3.9932 8.7767 121.5739 59.2968 29.7987 178.8884 32 N 4.4497 8.1170 116.2953 55.5848 37.5177 177.2295 33 I 3.8567 7.7580 122.3980 63.9815 37.3265 178.2879 34 R 3.9195 7.9682 118.3250 59.3041 29.8704 178.8205 35 A 3.9967 8.0404 120.0966 54.8489 18.2754 179.6030 36 A 3.8115 7.7801 119.4160 55.1792 18.4495 179.7219 37 A 3.9264 8.1049 119.3959 55.2603 18.3253 179.3873 38 D 4.2385 8.0469 116.6892 57.5044 41.1848 178.2878 39 N 4.0567 8.2941 117.1154 55.8391 38.1831 177.2394 40 A 4.0917 7.7261 121.4807 54.9734 18.9118 179.2756 41 K 3.9942 8.0921 118.0178 59.9309 32.2135 178.8396 42 N 4.3976 8.4415 116.6806 56.2052 38.1588 177.2541 43 A 4.1060 8.0903 121.7275 54.9828 18.5300 179.2372 44 L 4.0903 7.5584 115.7878 56.4334 42.5779 177.0571 45 H 4.8737 7.6543 116.0012 55.0460 29.0759 175.2858 46 N 4.7114 7.6427 119.1626 51.8459 38.8504 174.0955 47 E 4.2186 8.5460 125.4693 57.3609 29.9499 177.2129 48 E 4.2531 8.1753 116.3250 58.3729 30.0466 176.3853 49 Q 4.6949 7.7014 117.1988 52.9090 32.4399 175.6559 50 E 4.0376 8.6209 119.8150 56.5450 31.3956 178.0354 51 L 3.9405 8.5805 124.4636 58.5933 42.1994 179.7137 52 I 3.7819 7.7016 112.0191 63.6010 37.5009 178.2259 53 V 3.5845 7.5805 120.0049 65.8632 31.5096 177.8449 54 R 3.9257 8.2952 118.2221 59.4217 29.8449 179.1908 55 S 4.0862 8.2225 114.5008 61.6132 62.7939 176.5441 56 A 3.9738 8.0879 123.3733 55.5658 18.0977 179.8552 57 T 3.6677 8.1516 114.0285 66.6807 68.3767 176.8830 58 A 4.2434 8.2479 122.7837 55.1315 18.4010 179.7670 59 I 3.6711 8.0127 118.5777 64.4536 37.1640 178.2793 60 Q 3.8970 8.2854 120.6510 59.5843 28.6363 178.0325 61 Y 4.2954 7.6197 116.2011 61.1932 37.6585 178.5559 62 L 4.2275 7.9310 119.8141 57.8915 41.6958 179.1141 63 D 4.4427 8.6994 119.2065 57.5701 40.4874 178.6698 64 D 4.4101 8.0812 118.9055 56.5392 41.0772 177.7950 65 I 4.2605 7.4725 111.2103 60.8506 37.9658 177.6065 66 S 4.0880 7.4999 116.2298 61.8423 62.6837 175.3099 67 E 4.2492 8.0505 116.7231 56.1121 29.3645 176.1708 68 D 4.4198 7.9420 120.4162 53.6703 41.6744 174.5455 69 P 4.3084 0.0000 0.0000 65.3932 31.4935 176.2318 70 N 4.5549 8.4714 117.3422 51.3449 39.1936 173.4037 *72 P 4.2343 0.0000 0.0000 61.9298 34.1274 177.6947 73 I 3.7074 8.0794 121.5858 64.8503 37.1753 178.5352 74 H 4.2696 8.2038 115.5391 59.1591 28.3136 177.5945 75 T 4.0737 7.3552 119.3582 65.7081 68.2581 176.4959 76 R 3.9229 8.0795 120.7661 59.5174 30.0590 178.7780 77 T 4.0885 7.8934 115.2204 66.8223 67.9805 176.5001 78 Q 4.0567 8.3178 119.9983 59.1925 28.6542 179.2936 79 I 3.7744 8.1668 120.9404 63.9879 37.1074 178.0268 80 W 4.4650 8.5413 129.5388 60.6229 30.4671 177.9942 81 G 3.2811 7.9817 105.3328 47.8772 0.0000 175.7051 82 I 3.6564 7.6186 122.3687 63.9731 37.1821 178.7876 83 V 3.6103 8.0690 119.7245 65.9483 31.1462 178.2317 84 S 4.0880 7.8443 113.2020 61.3710 63.0417 176.1184 85 E 4.0187 8.0188 122.1686 59.1692 29.3399 179.1369 86 L 3.9998 8.2609 119.4201 57.8881 41.4567 179.2861 87 E 4.1398 8.1405 117.3030 58.5078 29.4494 178.3819 88 T 4.3747 7.4546 108.4076 61.3891 69.4287 174.7809 89 I 3.8947 7.1551 123.7512 61.1131 37.1612 175.1692 90 K 4.5973 8.1785 123.6268 55.1669 36.1888 176.1619 91 N 4.6908 8.7469 115.8576 53.8187 37.8620 174.7414 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 8.32 4.69 0.00 3.01 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 3 S 7.10 3.76 0.00 3.71 3.42 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 4 A 8.77 4.37 1.31 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 0.00 0.00 0.00 5 K 7.42 4.03 0.00 1.71 1.71 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.36 7.81 6 K 8.25 4.17 0.00 1.72 1.72 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.44 7.81 7 L 8.20 4.10 0.00 1.61 1.60 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.73 4.44 0.00 4.06 3.97 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 0.00 0.00 0.00 9 P 0.00 4.20 0.00 2.17 2.15 0.00 3.59 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 10 A 7.92 3.99 1.31 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 0.00 0.00 0.00 11 D 8.28 4.31 0.00 2.82 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 12 K 8.18 3.95 0.00 1.98 1.83 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.59 7.81 13 L 8.24 4.01 0.00 1.68 1.72 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.10 3.87 0.00 1.90 1.98 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 15 N 8.00 4.26 0.00 2.74 2.92 0.00 0.00 7.32 7.56 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 16 I 7.57 3.83 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.89 0.00 0.00 17 S 8.30 4.34 0.00 4.01 3.97 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 0.00 0.00 0.00 18 S 7.89 4.31 0.00 3.90 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 *20 L 7.87 4.25 0.00 1.93 1.73 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.72 3.95 0.00 2.13 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 2.46 0.00 22 E 7.81 3.94 0.00 2.01 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 2.35 2.37 0.00 23 I 7.66 3.85 2.02 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 1.68 0.53 0.91 0.00 0.00 24 V 7.54 3.60 2.34 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 0.85 0.00 0.00 1.04 0.00 0.00 25 E 7.96 4.53 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 2.32 2.43 0.00 26 D 7.97 4.65 0.00 2.95 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 27 T 8.07 4.12 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 1.21 0.00 0.00 28 T 7.91 4.20 4.58 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 1.28 0.00 0.00 29 V 7.57 4.33 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 0.78 0.00 0.00 0.99 0.00 0.00 30 P 0.00 4.22 0.00 2.21 2.00 0.00 3.66 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 2.30 2.15 0.00 31 R 8.78 3.99 0.00 1.85 1.98 0.00 3.12 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 32 N 8.12 4.45 0.00 2.92 3.07 0.00 0.00 6.31 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 33 I 7.76 3.86 1.99 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 1.53 0.91 0.91 0.00 0.00 34 R 7.97 3.92 0.00 2.01 1.97 0.00 3.26 0.00 0.00 3.59 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 35 A 8.04 4.00 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 36 A 7.78 3.81 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.10 3.93 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 38 D 8.05 4.24 0.00 2.89 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 39 N 8.29 4.06 0.00 2.26 1.51 0.00 0.00 6.87 8.01 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 40 A 7.73 4.09 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.09 3.99 0.00 1.93 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 42 N 8.44 4.40 0.00 2.70 2.85 0.00 0.00 6.98 7.77 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 43 A 8.09 4.11 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.56 4.09 0.00 1.54 1.57 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 45 H 7.65 4.87 0.00 3.07 3.24 0.00 5.62 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.64 4.71 0.00 2.83 2.72 0.00 0.00 6.70 7.65 0.00 0.00 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 E 8.55 4.22 0.00 1.98 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 2.29 2.33 0.00 48 E 8.18 4.25 0.00 2.01 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 2.46 2.29 0.00 49 Q 7.70 4.69 0.00 2.13 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 50 E 8.62 4.04 0.00 1.97 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 0.00 2.40 2.32 0.00 51 L 8.58 3.94 0.00 1.70 1.67 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.70 3.78 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 1.52 0.62 0.95 0.00 0.00 53 V 7.58 3.58 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 1.05 0.00 0.00 0.92 0.00 0.00 54 R 8.30 3.93 0.00 2.00 2.13 0.00 3.37 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.91 0.00 55 S 8.22 4.09 0.00 4.02 3.90 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 56 A 8.09 3.97 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 57 T 8.15 3.67 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 1.14 0.00 0.00 58 A 8.25 4.24 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 59 I 8.01 3.67 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 1.41 0.63 0.95 0.00 0.00 60 Q 8.29 3.90 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 61 Y 7.62 4.30 0.00 3.20 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 62 L 7.93 4.23 0.00 1.84 1.75 0.95 1.35 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 63 D 8.70 4.44 0.00 2.78 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 64 D 8.08 4.41 0.00 2.90 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 65 I 7.47 4.26 1.89 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 1.73 0.92 0.94 0.00 0.00 66 S 7.50 4.09 0.00 3.97 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 67 E 8.05 4.25 0.00 1.99 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 2.32 2.24 0.00 68 D 7.94 4.42 0.00 2.75 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 69 P 0.00 4.31 0.00 2.22 2.17 0.00 3.81 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 1.99 1.99 0.00 70 N 8.47 4.55 0.00 2.80 2.81 0.00 0.00 7.04 8.51 0.00 0.00 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 P 0.00 4.23 0.00 2.02 2.00 0.00 3.56 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.17 0.00 73 I 8.08 3.71 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 1.70 0.95 0.92 0.00 0.00 74 H 8.20 4.27 0.00 3.38 3.57 0.00 5.46 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 T 7.36 4.07 4.16 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 1.19 0.00 0.00 76 R 8.08 3.92 0.00 1.90 2.08 0.00 3.07 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 77 T 7.89 4.09 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 1.43 0.00 0.00 78 Q 8.32 4.06 0.00 2.29 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 79 I 8.17 3.77 1.94 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 0.88 0.97 0.00 0.00 80 W 8.54 4.47 0.00 3.38 3.54 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 0.00 0.00 0.00 0.00 81 G 7.98 3.28 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 0.00 82 I 7.62 3.66 1.99 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 1.38 0.73 0.90 0.00 0.00 83 V 8.07 3.61 2.20 0.00 0.00 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 1.01 0.00 0.00 84 S 7.84 4.09 0.00 3.86 3.70 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 85 E 8.02 4.02 0.00 2.14 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 2.23 2.37 0.00 86 L 8.26 4.00 0.00 1.79 1.71 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.14 4.14 0.00 2.10 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 2.34 2.47 0.00 88 T 7.45 4.37 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 1.20 0.00 0.00 89 I 7.16 3.89 1.91 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 1.53 0.79 0.90 0.00 0.00 90 K 8.18 4.60 0.00 1.65 1.68 0.00 1.64 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.47 7.81 91 N 8.75 4.69 0.00 2.84 3.01 0.00 0.00 6.71 7.56 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 * Residues marked with a * may have inaccurate shift predictions.