NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2622 8.2644 123.5808 52.3944 19.7515 176.3032 2 S 4.2010 8.4889 113.6210 56.7438 62.6046 171.7769 3 A 3.8857 7.9863 125.7455 51.7054 17.7472 178.6893 4 A 5.7236 6.6937 131.8481 53.0067 22.2724 176.8173 5 K 4.6294 7.0949 124.9255 56.8625 32.5094 176.8102 6 G 4.1165 9.2544 122.4982 48.1780 0.0000 174.4009 7 D 3.3700 7.2833 110.8283 53.0327 42.6315 176.7129 8 H 3.8764 9.1855 116.7293 57.1835 28.8995 176.2446 9 G 4.2448 7.9214 107.9109 47.9471 0.0000 173.1738 10 G 3.6981 7.5169 109.9489 44.7428 0.0000 170.7080 *12 G 3.8659 8.3111 109.4079 45.4433 0.0000 172.3707 13 A 4.0985 8.6700 119.4522 55.2698 18.3727 179.7107 14 R 3.9069 8.1633 116.7778 60.2624 30.0352 178.6926 15 T 3.9663 7.9200 114.7495 66.4391 68.4995 176.7207 16 W 3.9402 8.2844 120.9464 59.4409 28.9669 178.6278 17 R 3.9373 8.5620 119.3623 59.1423 29.4473 178.2344 18 F 4.2736 8.3736 120.6914 61.3943 39.2758 177.1524 19 L 3.9758 8.1454 118.7076 57.6430 41.2716 179.5224 20 T 3.7915 7.9748 115.8634 66.7784 68.2452 176.5021 21 F 4.7285 8.2719 117.6211 59.1100 39.2065 177.3230 22 G 4.1756 8.3292 103.8259 44.5621 0.0000 173.5249 23 L 4.5182 7.6675 119.7545 56.4529 44.4728 178.1368 24 A 3.9678 8.3571 120.2486 55.3261 18.3522 179.6807 25 L 3.9865 8.2606 117.8393 57.3671 41.6071 177.8584 26 P 4.2881 0.0000 0.0000 65.7966 31.3102 178.6522 27 S 4.0911 8.3172 114.0096 61.6896 62.6643 176.9966 28 V 3.5803 7.8902 120.6165 65.8760 31.1857 177.9544 29 A 3.9394 8.4963 121.0170 54.9276 18.1198 179.6265 30 L 3.8823 8.1902 117.7990 58.3409 41.8019 179.6745 31 C 4.0569 8.5061 116.7431 62.8856 27.8798 176.3936 32 T 3.3750 7.9304 117.9844 66.1017 67.7208 176.3389 33 L 3.9206 7.8182 121.6396 58.0473 42.3266 177.8799 34 N 4.2306 8.3589 116.9015 57.1144 38.5832 177.0337 35 S 4.1389 7.7333 114.9078 61.1712 63.4249 177.0737 36 W 5.1595 8.2944 120.5220 56.4918 29.5027 176.7317 37 L 4.7760 7.7551 119.7528 57.3320 46.9145 176.7433 38 H 4.7080 8.1727 112.5555 56.2164 28.2362 176.0303 39 S 4.5504 7.7300 116.4039 57.6114 65.0311 172.1965 40 G 3.9376 8.5869 109.9887 45.9415 0.0000 173.0988 41 H 4.3795 8.3612 119.7644 55.4024 28.8653 175.7964 42 R 4.0254 8.4652 124.4640 55.8659 30.5707 176.0792 43 E 4.1644 8.6505 123.6155 55.0830 29.9626 176.5210 44 R 4.0470 8.5219 123.3680 55.9390 29.8326 174.6193 45 P 4.5934 0.0000 0.0000 61.5182 32.6468 175.6715 46 A 4.1365 8.4889 121.8902 52.7037 18.6994 177.1386 47 F 4.6354 8.8793 123.7315 57.6415 40.3108 175.0085 48 I 3.9260 7.1060 127.6949 58.6087 40.5007 174.7946 49 P 4.1377 0.0000 0.0000 61.7057 29.8997 176.2842 50 Y 4.2455 6.9033 117.4176 59.5310 38.8372 177.8242 51 H 4.4338 8.9344 120.0902 57.5355 29.2879 175.7177 52 H 4.6961 8.3448 113.5806 55.5422 28.9616 174.4889 53 L 4.7619 7.1572 119.3394 53.4028 45.0275 175.6389 54 R 3.8510 8.6323 115.6758 57.2054 27.6466 177.4128 55 I 3.7873 7.7502 116.8295 61.6697 37.8056 176.9602 56 R 4.2820 8.2676 123.2772 54.7612 31.3109 174.7059 57 T 4.3161 8.0076 112.1256 61.5868 70.1232 175.1865 58 K 4.3507 7.1560 121.0725 54.3960 35.0054 173.1334 59 P 4.1790 0.0000 0.0000 62.0857 32.2356 176.5293 60 F 3.8380 7.9311 120.9229 57.7615 39.1388 175.5689 61 S 4.6054 7.9440 118.4867 58.2160 63.1671 173.8190 62 W 5.2013 7.1762 116.0302 55.3820 31.7316 174.8715 63 G 3.7525 8.6096 107.5877 47.3473 0.0000 173.8261 64 D 4.6041 8.8421 124.6763 53.0645 39.7411 177.9280 65 G 4.1899 8.4359 109.6189 45.7327 0.0000 174.5475 66 N 5.1670 8.7318 116.2552 53.1877 39.6401 173.0864 67 H 4.8714 8.0771 113.3874 53.8801 31.2797 174.0511 68 T 3.4950 8.2648 113.7415 60.8096 69.5452 174.2732 69 F 3.2019 8.5627 124.0250 60.1713 39.5139 175.5954 70 F 5.1438 7.2722 118.2262 56.7130 39.4507 175.2557 71 H 4.1536 8.2371 119.8406 56.3182 30.5711 173.6223 72 N 4.8151 8.3204 124.2685 50.9824 39.9184 172.7136 73 P 4.4120 0.0000 0.0000 65.5981 31.7303 178.4908 74 R 4.0964 8.1774 116.7854 58.4581 29.9692 177.7241 75 V 4.4841 7.7354 106.8952 60.5719 33.5957 174.9220 76 N 4.8480 8.4777 118.3745 50.4972 38.8661 172.8713 77 P 4.0203 0.0000 0.0000 62.0503 32.2733 176.2889 78 L 4.3547 8.0559 120.6648 52.9187 42.7657 176.1590 79 P 4.3871 0.0000 0.0000 65.7398 31.1093 177.6125 80 T 4.2619 7.9062 105.1540 60.7226 69.4256 172.8797 81 G 2.0921 7.1309 108.7869 43.1700 0.0000 173.0139 82 Y 4.2475 7.6461 116.8038 57.6817 38.3083 176.3305 83 E 4.2793 8.5169 122.4201 55.6167 30.5315 177.3032 84 K 4.1319 8.5171 118.5602 57.0683 32.0544 177.2313 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 A 8.26 4.26 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 2 S 8.49 4.20 0.00 3.88 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 3 A 7.99 3.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 6.69 5.72 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 5 K 7.09 4.63 0.00 1.57 0.77 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.24 1.32 7.81 6 G 9.25 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.28 3.37 0.00 2.57 2.17 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 8 H 9.19 3.88 0.00 3.24 3.37 0.00 5.99 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.92 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 0.00 0.00 0.00 10 G 7.52 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 0.00 0.00 0.00 *12 G 8.31 3.87 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 0.00 0.00 0.00 13 A 8.67 4.10 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 14 R 8.16 3.91 0.00 1.94 2.02 0.00 3.21 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.78 0.00 15 T 7.92 3.97 4.27 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 0.77 0.00 0.00 16 W 8.28 3.94 0.00 3.52 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 17 R 8.56 3.94 0.00 2.04 2.21 0.00 3.21 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 18 F 8.37 4.27 0.00 3.28 3.02 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 0.00 0.00 0.00 19 L 8.15 3.98 0.00 1.72 1.56 -0.17 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.97 3.79 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 0.71 0.00 0.00 21 F 8.27 4.73 0.00 3.05 2.94 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 22 G 8.33 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 23 L 7.67 4.52 0.00 1.65 1.77 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.36 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 25 L 8.26 3.99 0.00 1.80 1.81 1.07 1.09 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 26 P 0.00 4.29 0.00 2.18 2.13 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 27 S 8.32 4.09 0.00 4.00 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 28 V 7.89 3.58 2.19 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 1.04 0.00 0.00 0.97 0.00 0.00 29 A 8.50 3.94 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 30 L 8.19 3.88 0.00 1.78 1.70 0.91 1.05 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 31 C 8.51 4.06 0.00 2.79 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 32 T 7.93 3.37 4.23 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 0.00 0.00 0.83 0.00 0.00 33 L 7.82 3.92 0.00 1.77 1.88 0.94 0.90 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 34 N 8.36 4.23 0.00 2.74 2.89 0.00 0.00 7.37 7.83 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 35 S 7.73 4.14 0.00 3.52 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.29 5.16 0.00 3.16 2.94 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 37 L 7.76 4.78 0.00 2.01 1.74 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.17 4.71 0.00 3.14 3.36 0.00 5.90 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.73 4.55 0.00 3.93 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 40 G 8.59 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 0.00 0.00 0.00 41 H 8.36 4.38 0.00 3.16 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.47 4.03 0.00 1.84 1.90 0.00 3.25 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 43 E 8.65 4.16 0.00 1.93 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 2.27 2.23 0.00 44 R 8.52 4.05 0.00 1.98 1.88 0.00 2.48 0.00 0.00 2.99 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.31 0.00 45 P 0.00 4.59 0.00 2.32 2.17 0.00 4.03 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 2.12 2.06 0.00 46 A 8.49 4.14 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.88 4.64 0.00 3.16 3.15 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 48 I 7.11 3.93 1.18 0.00 0.00 0.76 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 0.58 -0.27 0.00 0.00 49 P 0.00 4.14 0.00 2.02 2.07 0.00 3.32 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 50 Y 6.90 4.25 0.00 2.98 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 51 H 8.93 4.43 0.00 3.25 3.42 0.00 5.69 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 52 H 8.34 4.70 0.00 3.28 3.39 0.00 5.47 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 53 L 7.16 4.76 0.00 1.60 1.59 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.63 3.85 0.00 1.96 2.02 0.00 3.34 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 55 I 7.75 3.79 1.90 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 0.77 0.90 0.00 0.00 56 R 8.27 4.28 0.00 1.66 1.69 0.00 3.15 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 57 T 8.01 4.32 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 1.18 0.00 0.00 58 K 7.16 4.35 0.00 1.59 1.50 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.19 1.34 7.81 59 P 0.00 4.18 0.00 1.94 1.82 0.00 3.61 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 60 F 7.93 3.84 0.00 2.30 1.45 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 61 S 7.94 4.61 0.00 4.15 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 62 W 7.18 5.20 0.00 3.47 3.40 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 63 G 8.61 3.75 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 0.00 0.00 0.00 64 D 8.84 4.60 0.00 2.78 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 65 G 8.44 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 0.00 0.00 0.00 66 N 8.73 5.17 0.00 2.59 2.87 0.00 0.00 6.96 7.87 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 67 H 8.08 4.87 0.00 3.13 3.15 0.00 5.95 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 8.26 3.49 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 1.24 0.00 0.00 69 F 8.56 3.20 0.00 2.39 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 0.00 0.00 0.00 70 F 7.27 5.14 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 71 H 8.24 4.15 0.00 3.26 3.27 0.00 5.86 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 72 N 8.32 4.82 0.00 2.73 2.65 0.00 0.00 7.20 7.71 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 73 P 0.00 4.41 0.00 2.10 2.18 0.00 3.72 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 74 R 8.18 4.10 0.00 2.05 1.96 0.00 3.19 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 75 V 7.74 4.48 2.17 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 0.77 0.00 0.00 0.97 0.00 0.00 76 N 8.48 4.85 0.00 2.69 2.82 0.00 0.00 6.98 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 77 P 0.00 4.02 0.00 1.37 0.49 0.00 3.70 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.79 0.00 78 L 8.06 4.35 0.00 1.65 1.53 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.39 0.00 2.03 2.16 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 80 T 7.91 4.26 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 1.20 0.00 0.00 81 G 7.13 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 0.00 0.00 0.00 0.00 0.00 0.00 82 Y 7.65 4.25 0.00 2.92 2.84 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 0.00 0.00 0.00 83 E 8.52 4.28 0.00 2.03 1.93 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 2.33 2.36 0.00 84 K 8.52 4.13 0.00 1.73 1.74 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.51 7.81 * Residues marked with a * may have inaccurate shift predictions.