NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2314 8.2649 123.5859 51.8587 20.0740 175.5634 *4 L 4.3549 8.0438 113.1807 55.2578 43.4272 175.6774 5 Y 5.0882 8.8126 118.7479 56.1770 41.7438 174.5576 6 L 4.8702 8.9899 125.0904 53.6373 44.6986 175.1413 7 I 5.0883 9.1604 126.5064 59.7032 40.3058 174.1304 8 F 5.4872 9.3191 129.9710 56.5616 42.1894 173.6696 9 Y 4.8901 7.0956 121.3914 55.3332 41.6874 174.4302 10 D 4.5788 9.1844 120.1611 52.6243 43.9188 174.1924 11 I 4.9049 8.2291 126.1204 59.7143 39.5629 175.7025 12 T 4.1891 9.0497 119.1339 63.9949 69.9194 174.9715 13 D 4.5499 8.1817 122.8063 53.5607 41.8291 176.0582 14 D 4.4522 9.0012 127.2865 57.7431 40.8817 178.6037 15 N 4.3671 8.2083 116.3618 56.3338 38.6681 177.3979 16 L 4.0497 8.5308 120.6110 57.5851 41.6305 179.5202 17 R 3.7283 8.2996 118.9570 59.5487 29.9839 178.3822 18 N 4.3378 8.3963 116.3816 56.2620 38.5109 177.5459 19 R 3.8904 8.0821 119.5278 59.2093 30.0920 179.2621 20 V 3.4063 7.7731 117.6019 65.8756 31.4954 177.8176 21 A 3.9765 7.9325 120.5536 55.2475 18.2478 179.3994 22 E 3.9218 8.4331 117.2295 59.5206 29.5626 179.3139 23 F 4.1122 8.2118 120.5196 61.4428 39.5661 177.2250 24 L 3.5044 7.8773 118.6826 57.1875 41.1869 179.3593 25 K 4.0309 7.9241 119.6751 59.6091 31.9729 179.0880 26 K 3.9800 7.7809 117.3775 59.0969 32.0237 178.7501 27 K 4.0703 7.4186 116.4274 56.8135 32.1195 177.7719 28 G 3.9772 7.6436 108.0339 45.0561 0.0000 173.9608 29 L 4.2980 7.3105 118.5420 54.1926 42.6621 176.2019 30 D 4.6495 8.4850 121.0325 53.4138 41.7859 175.8131 31 R 3.6132 8.3716 124.9141 55.2360 30.5422 175.7172 32 I 4.2954 7.9343 118.0257 60.7659 39.1004 174.5596 33 Q 4.4611 7.4361 120.8020 55.0633 31.8908 173.6514 34 Y 4.2784 8.7759 122.1253 60.3374 38.6978 177.7151 35 S 3.9005 8.8758 113.7692 57.3580 64.3253 173.3812 36 V 4.9507 7.6618 119.0498 62.5412 35.1536 174.1258 37 F 5.4126 8.7034 125.8677 54.8225 43.3829 173.6921 *39 G 4.0973 8.4610 105.8522 46.5496 0.0000 171.6861 40 D 5.1241 8.5098 119.2282 52.9919 40.6908 176.3023 41 L 4.7266 8.4550 120.9080 52.6404 45.5655 176.6521 42 N 4.7958 8.7570 123.0260 51.8234 40.5496 175.4843 43 S 4.0957 8.5447 114.2957 62.0929 62.9535 176.4995 44 S 4.1029 7.9627 118.4952 61.3245 62.6361 176.8307 45 R 3.9519 8.3798 120.7173 58.8765 29.7008 178.8430 46 L 3.7649 8.1341 120.5656 57.9656 41.9811 179.1581 47 K 3.9238 8.0927 118.4718 59.4541 31.9933 178.8320 48 D 4.3054 8.0343 118.1505 57.1903 41.1051 178.3833 49 V 3.8350 7.9562 118.8776 66.0683 31.5853 177.4614 50 E 3.8563 8.4780 119.1048 59.3979 29.4132 178.6714 51 A 4.0671 8.2818 120.9692 55.1017 18.4868 179.9064 52 G 3.0796 8.2389 104.2580 47.6194 0.0000 175.9999 53 L 3.8011 7.8334 121.4302 57.4972 41.3625 179.8185 54 K 4.0017 7.8657 117.5925 59.3015 32.1839 179.1926 55 I 3.7571 7.3272 119.9859 64.3690 36.7662 178.5225 56 I 3.7293 7.3485 119.6652 63.8417 36.9861 177.8150 57 G 3.0414 7.4370 103.6512 44.0257 0.0000 174.3591 58 N 4.5577 7.3222 121.2358 51.8581 37.1832 173.6833 59 R 4.5636 7.1950 119.2937 54.3324 33.8263 174.0078 60 K 4.4676 8.1252 121.3580 54.4032 33.8035 176.7502 61 K 4.1344 8.3969 122.9404 56.6832 32.8451 176.4252 62 L 4.5478 8.7550 124.9477 55.1319 43.5410 176.9505 63 Q 4.7878 7.7772 115.0319 53.6522 31.2346 176.2317 64 E 4.0346 8.7469 117.4765 59.2439 29.8162 177.5327 65 D 4.5937 7.9369 116.9423 54.6689 41.5077 176.2142 66 E 4.1813 7.9371 121.1663 56.2176 30.3459 175.9319 67 R 4.8842 8.9855 123.6266 54.5440 34.7370 174.5049 68 F 4.9819 8.8563 124.0084 56.9729 41.9861 173.3799 69 F 4.9875 8.7504 128.6516 56.7619 42.9741 173.1042 70 I 4.6804 7.6642 125.6989 59.2139 40.5479 174.2130 71 L 4.5261 8.8902 129.2463 53.1784 44.5205 174.8091 72 I 5.0006 8.4401 126.8616 59.6045 39.3722 175.1420 73 V 4.7095 9.0185 127.3282 60.1719 34.7521 172.8838 74 P 4.4324 0.0000 0.0000 62.7776 32.0250 175.2295 75 I 4.9292 8.1954 115.5691 59.8426 41.4664 174.0219 76 T 4.6150 8.8010 111.9919 59.5992 71.2118 175.4087 77 E 4.0270 8.7184 121.8922 59.6544 29.1799 179.0897 78 N 4.3078 8.1245 115.5066 56.8996 39.4770 176.3065 79 Q 4.1464 8.1011 119.3519 59.0524 28.8207 178.7391 80 F 4.1183 8.4277 121.5654 61.3625 39.2468 177.3996 81 R 3.9772 8.1338 116.5491 58.4703 29.8329 177.7515 82 E 4.3993 7.4600 116.4706 55.0975 29.9094 176.5952 83 R 4.0036 6.8711 116.2458 56.0626 30.0711 175.9359 84 I 4.3979 7.9660 119.4441 59.3855 39.6754 175.2651 85 V 4.3590 8.2491 124.1068 60.8598 33.6722 174.4949 86 I 4.5243 8.3345 127.0479 59.4773 39.8800 174.9941 87 G 4.1823 8.1530 113.6515 44.1309 0.0000 171.4080 88 Y 4.4118 8.3145 116.8424 57.7800 38.5637 176.2403 89 S 4.3470 8.7351 116.6329 58.7306 63.2535 174.0211 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 A 8.26 4.23 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 *4 L 8.04 4.35 0.00 1.74 1.54 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 5 Y 8.81 5.09 0.00 2.82 2.86 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 6 L 8.99 4.87 0.00 1.81 1.60 1.09 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.16 5.09 2.04 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 1.18 0.80 1.01 0.00 0.00 8 F 9.32 5.49 0.00 3.14 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 9 Y 7.10 4.89 0.00 2.64 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 10 D 9.18 4.58 0.00 2.82 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 11 I 8.23 4.90 1.83 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.50 1.06 0.00 0.00 12 T 9.05 4.19 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 1.27 0.00 0.00 13 D 8.18 4.55 0.00 2.84 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 14 D 9.00 4.45 0.00 2.77 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 15 N 8.21 4.37 0.00 2.91 2.87 0.00 0.00 7.14 6.74 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 16 L 8.53 4.05 0.00 1.81 1.93 0.91 0.74 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 17 R 8.30 3.73 0.00 2.12 2.10 0.00 3.13 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 18 N 8.40 4.34 0.00 2.79 2.88 0.00 0.00 7.07 7.51 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 19 R 8.08 3.89 0.00 2.12 1.94 0.00 3.10 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 20 V 7.77 3.41 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.70 0.00 0.00 21 A 7.93 3.98 1.50 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 0.00 0.00 0.00 22 E 8.43 3.92 0.00 2.19 2.04 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 2.52 2.49 0.00 23 F 8.21 4.11 0.00 3.08 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 24 L 7.88 3.50 0.00 0.37 0.66 0.50 0.54 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 25 K 7.92 4.03 0.00 2.08 2.00 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.58 7.81 26 K 7.78 3.98 0.00 1.78 1.77 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.63 7.81 27 K 7.42 4.07 0.00 1.34 1.57 0.00 1.56 0.00 0.00 1.45 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.63 0.55 7.81 28 G 7.64 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 29 L 7.31 4.30 0.00 1.85 1.78 0.79 0.85 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 30 D 8.48 4.65 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.37 3.61 0.00 1.20 1.54 0.00 2.99 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 32 I 7.93 4.30 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.85 0.85 0.00 0.00 33 Q 7.44 4.46 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 34 Y 8.78 4.28 0.00 2.87 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 35 S 8.88 3.90 0.00 3.10 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 36 V 7.66 4.95 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 1.22 0.00 0.00 1.10 0.00 0.00 37 F 8.70 5.41 0.00 2.93 2.96 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 0.00 0.00 0.00 *39 G 8.46 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.51 5.12 0.00 2.72 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 41 L 8.45 4.73 0.00 1.44 1.48 0.67 0.99 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 42 N 8.76 4.80 0.00 2.94 3.01 0.00 0.00 5.97 7.64 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 43 S 8.54 4.10 0.00 4.07 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 4.10 0.00 3.88 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 45 R 8.38 3.95 0.00 1.89 1.92 0.00 3.11 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 46 L 8.13 3.76 0.00 1.58 1.74 0.29 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.09 3.92 0.00 2.15 1.83 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.46 1.32 7.81 48 D 8.03 4.31 0.00 2.89 2.82 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 49 V 7.96 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 1.01 0.00 0.00 0.83 0.00 0.00 50 E 8.48 3.86 0.00 2.00 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 2.28 2.30 0.00 51 A 8.28 4.07 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 52 G 8.24 3.08 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 0.00 0.00 0.00 53 L 7.83 3.80 0.00 1.77 1.69 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.87 4.00 0.00 1.81 1.81 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.60 7.81 55 I 7.33 3.76 1.85 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 1.43 0.52 0.80 0.00 0.00 56 I 7.35 3.73 1.94 0.00 0.00 0.53 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 0.32 0.92 0.00 0.00 57 G 7.44 3.04 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 0.00 0.00 0.00 58 N 7.32 4.56 0.00 2.76 2.76 0.00 0.00 6.80 7.79 0.00 0.00 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 R 7.19 4.56 0.00 1.63 1.55 0.00 3.18 0.00 0.00 3.05 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 60 K 8.13 4.47 0.00 1.75 1.68 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.37 7.81 61 K 8.40 4.13 0.00 1.73 1.71 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.49 7.81 62 L 8.75 4.55 0.00 1.80 1.68 0.92 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 63 Q 7.78 4.79 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.90 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 64 E 8.75 4.03 0.00 2.11 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 2.29 2.29 0.00 65 D 7.94 4.59 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 66 E 7.94 4.18 0.00 2.02 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 2.34 0.00 67 R 8.99 4.88 0.00 1.82 1.84 0.00 3.16 0.00 0.00 3.12 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 68 F 8.86 4.98 0.00 3.00 2.87 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 0.00 0.00 0.00 69 F 8.75 4.99 0.00 3.21 2.86 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 70 I 7.66 4.68 1.66 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.20 0.87 0.00 0.00 71 L 8.89 4.53 0.00 1.64 1.69 1.03 0.90 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 72 I 8.44 5.00 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.87 0.00 0.00 73 V 9.02 4.71 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 1.14 0.00 0.00 1.02 0.00 0.00 74 P 0.00 4.43 0.00 1.90 1.57 0.00 3.84 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 2.01 0.00 75 I 8.20 4.93 1.91 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.66 0.95 0.00 0.00 76 T 8.80 4.62 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 1.18 0.00 0.00 77 E 8.72 4.03 0.00 2.02 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 2.40 2.32 0.00 78 N 8.12 4.31 0.00 2.70 2.86 0.00 0.00 6.98 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 79 Q 8.10 4.15 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 80 F 8.43 4.12 0.00 3.17 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 81 R 8.13 3.98 0.00 2.00 1.97 0.00 3.22 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 82 E 7.46 4.40 0.00 2.08 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 2.44 2.43 0.00 83 R 6.87 4.00 0.00 1.69 1.58 0.00 2.48 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.31 0.00 84 I 7.97 4.40 1.81 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 1.25 0.62 0.87 0.00 0.00 85 V 8.25 4.36 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 0.81 0.00 0.00 0.86 0.00 0.00 86 I 8.33 4.52 1.82 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 1.31 0.75 0.87 0.00 0.00 87 G 8.15 4.18 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 0.00 0.00 0.00 88 Y 8.31 4.41 0.00 3.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.74 4.35 0.00 4.00 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 * Residues marked with a * may have inaccurate shift predictions.