NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3604 8.4449 121.7379 55.8770 31.0758 174.7118 3 K 4.5397 8.3550 122.5143 54.2080 33.3291 174.9240 4 R 4.6283 9.8866 120.5769 54.8479 34.3438 173.1466 5 F 5.1092 8.6269 117.2047 56.9407 40.6735 174.9273 6 Y 5.2614 9.2529 119.8158 56.3027 42.4598 174.2751 7 I 4.9758 9.1021 123.0393 59.5081 40.2954 174.3017 8 L 5.2548 9.0573 128.8356 53.5190 45.0354 174.9111 9 T 5.1109 9.0474 122.8395 61.8429 71.5047 173.0288 10 I 4.8927 8.8912 127.2902 59.3567 40.5696 174.6313 11 V 4.7326 8.6944 126.5840 61.0938 33.8230 174.1574 12 V 4.8836 8.5836 128.5130 60.9344 33.4592 175.0453 13 E 4.0705 9.1897 128.4464 56.3408 30.0861 177.6433 14 D 4.0671 8.8905 125.1500 53.6676 39.5544 174.5159 15 R 4.4169 7.2957 123.3000 53.4271 34.3810 176.4723 16 E 3.8539 8.9345 122.3021 61.3448 29.4999 177.5555 17 K 4.0558 7.9928 119.8172 59.2980 32.2850 178.3123 18 A 4.0015 7.9283 120.3527 55.4816 18.2042 179.0545 19 Y 4.3202 7.8989 115.0589 61.2547 37.8989 178.5190 20 R 3.9375 8.1492 119.5692 59.8306 30.1823 178.4986 21 Q 4.0018 8.3082 117.6857 58.8671 28.6296 178.9777 22 V 3.6067 8.0202 119.2491 66.1693 31.5492 177.8162 23 N 4.3442 8.5394 116.5732 56.2305 38.3832 176.9481 24 E 3.9582 8.4878 120.8874 59.2815 29.6115 178.8727 25 L 4.1469 8.0024 118.8553 58.0736 41.5467 179.6568 26 L 4.1314 8.1792 117.8407 57.7621 41.8967 178.6954 27 H 4.2972 8.7038 118.8291 59.5875 29.6358 177.1709 28 N 4.3743 8.2466 116.4596 55.3154 38.6215 176.4166 29 F 4.6469 7.8069 118.0913 57.2773 39.4653 177.7734 30 S 4.2742 7.9824 117.4645 61.2364 62.4732 176.0766 31 E 4.0270 8.1977 119.4198 58.5752 29.7180 177.0959 32 D 4.6903 8.0835 117.7382 54.1881 41.6713 175.6654 33 I 4.6934 7.4592 121.3415 60.2475 38.0814 175.4402 34 L 4.6416 9.0755 125.1636 55.4941 43.4528 176.5764 35 L 4.6300 7.5941 119.1285 53.8848 45.6249 173.9018 36 R 5.1699 8.5416 124.6907 54.7622 33.3097 174.0123 37 V 4.4910 9.1602 125.9590 61.0287 34.6431 174.0764 38 G 4.3458 8.9054 114.7818 44.5767 0.0000 171.7901 39 Y 4.7611 9.0922 126.3116 55.0001 41.4017 172.6550 40 P 4.3890 0.0000 0.0000 62.3159 32.4427 177.3705 41 V 4.1544 7.9028 122.4287 60.5585 31.2750 175.9884 42 R 3.9036 7.8621 123.1910 58.6284 30.0619 177.4780 43 E 3.9803 8.2256 118.0958 58.6855 29.5069 177.7066 44 E 4.5371 7.9623 115.1074 54.3641 31.6450 175.9690 45 N 3.8964 7.7429 115.4604 54.0891 36.4191 172.8242 *47 A 4.5307 7.2766 120.1359 51.7591 21.2139 176.2005 48 I 4.8001 8.5133 120.2382 59.4676 40.6202 174.9084 49 I 4.8953 8.6318 126.7304 59.5515 40.5225 174.2715 50 F 5.4430 9.1027 126.2096 55.8915 41.2905 174.9740 51 L 5.3838 9.4219 122.5217 52.9485 46.0572 175.4818 52 V 4.9388 8.4881 121.1359 61.2422 34.2694 174.4264 53 L 5.3882 9.1662 126.5992 52.7843 46.1042 175.4294 54 K 4.5977 8.2457 122.3054 55.5706 34.1864 174.8119 55 T 4.5294 8.6638 122.2429 61.9589 71.6908 171.0644 56 D 5.1485 8.3628 121.4390 51.8967 42.4181 177.1229 57 N 4.2475 8.9456 114.9167 56.7571 38.3639 176.8730 58 D 4.4079 8.2053 119.5600 58.0313 40.8758 179.3588 59 T 4.0108 8.0332 115.5794 66.7054 68.5219 176.9921 60 I 3.5211 7.6914 120.7139 63.6210 37.8270 178.1909 61 G 3.4695 8.2977 106.9263 47.5976 0.0000 175.5511 62 A 3.9686 8.0948 123.7107 54.6343 18.3747 179.5017 63 L 3.1596 7.6038 118.7414 58.1286 41.9940 179.2343 64 S 4.0929 7.9825 115.2817 61.5561 62.5578 176.9373 65 G 3.6001 7.7073 106.8969 47.9176 0.0000 175.5610 66 K 4.1692 8.1012 120.9691 58.7746 32.0939 179.5120 67 L 4.0705 8.2429 119.9331 57.8364 41.4175 179.8250 68 G 3.7347 8.1381 103.9689 47.1118 0.0000 174.6185 69 Q 4.4094 7.4122 118.2221 55.1745 29.5923 175.5966 70 I 4.0253 7.4069 123.3437 60.0019 37.8450 175.3454 71 S 4.1777 8.6436 120.2656 60.3138 62.5949 174.2513 72 G 3.9286 9.2323 115.2530 44.9567 0.0000 171.9500 73 V 4.8794 7.3705 119.0165 60.9739 33.5553 175.1303 74 R 4.9320 8.9115 125.9877 54.3259 33.7711 174.9131 75 V 4.9040 8.2943 120.7121 59.8710 34.8305 174.5859 76 K 4.6344 9.2293 123.7900 55.0412 35.5000 174.6963 77 T 5.1039 8.6892 123.3981 61.7428 71.2387 173.4884 78 V 4.5885 9.0063 126.7565 60.0873 34.2325 173.1345 79 P 4.5402 0.0000 0.0000 62.8627 31.5583 176.2764 80 L 3.9383 8.7242 125.3318 57.5896 42.5775 177.1265 81 K 4.1702 7.8910 120.8732 56.9108 32.0516 175.3198 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 E 8.44 4.36 0.00 1.98 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 2.19 2.41 0.00 3 K 8.35 4.54 0.00 1.59 1.63 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 R 9.89 4.63 0.00 1.67 1.93 0.00 2.67 0.00 0.00 2.97 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.00 5 F 8.63 5.11 0.00 2.95 2.98 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 6 Y 9.25 5.26 0.00 2.87 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 7 I 9.10 4.98 1.95 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 1.16 0.74 0.99 0.00 0.00 8 L 9.06 5.25 0.00 1.72 1.51 0.84 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 9 T 9.05 5.11 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 1.14 0.00 0.00 10 I 8.89 4.89 1.81 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 1.08 0.66 0.94 0.00 0.00 11 V 8.69 4.73 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 0.94 0.00 0.00 0.89 0.00 0.00 12 V 8.58 4.88 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.97 0.00 0.00 13 E 9.19 4.07 0.00 1.81 1.82 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 2.33 2.25 0.00 14 D 8.89 4.07 0.00 2.62 2.57 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 0.00 0.00 0.00 15 R 7.30 4.42 0.00 1.70 1.63 0.00 3.14 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 16 E 8.93 3.85 0.00 1.97 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 2.33 1.97 0.00 17 K 7.99 4.06 0.00 1.75 1.81 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.45 7.81 18 A 7.93 4.00 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 19 Y 7.90 4.32 0.00 3.12 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 20 R 8.15 3.94 0.00 1.93 2.22 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 21 Q 8.31 4.00 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 22 V 8.02 3.61 2.27 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 1.10 0.00 0.00 1.01 0.00 0.00 23 N 8.54 4.34 0.00 2.99 2.87 0.00 0.00 6.72 7.26 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 24 E 8.49 3.96 0.00 2.09 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 0.00 2.34 2.45 0.00 25 L 8.00 4.15 0.00 2.07 1.77 0.93 0.69 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 26 L 8.18 4.13 0.00 1.63 1.78 0.92 0.95 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 27 H 8.70 4.30 0.00 3.27 3.54 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.25 4.37 0.00 2.91 2.65 0.00 0.00 7.01 7.10 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 29 F 7.81 4.65 0.00 3.06 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 30 S 7.98 4.27 0.00 4.09 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 0.00 31 E 8.20 4.03 0.00 2.08 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 2.26 2.33 0.00 32 D 8.08 4.69 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 33 I 7.46 4.69 1.92 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 1.35 0.74 0.98 0.00 0.00 34 L 9.08 4.64 0.00 1.68 1.80 1.09 1.14 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 35 L 7.59 4.63 0.00 1.77 1.50 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.54 5.17 0.00 1.83 1.76 0.00 3.25 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 37 V 9.16 4.49 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.01 0.00 0.00 38 G 8.91 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 0.00 0.00 0.00 0.00 39 Y 9.09 4.76 0.00 3.07 2.83 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 0.00 40 P 0.00 4.39 0.00 1.79 1.88 0.00 3.41 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 1.91 1.97 0.00 41 V 7.90 4.15 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 1.08 0.00 0.00 1.01 0.00 0.00 42 R 7.86 3.90 0.00 1.85 1.95 0.00 3.17 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 43 E 8.23 3.98 0.00 1.95 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 2.31 2.43 0.00 44 E 7.96 4.54 0.00 1.96 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 2.26 2.47 0.00 45 N 7.74 3.90 0.00 2.85 2.76 0.00 0.00 6.85 8.02 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 *47 A 7.28 4.53 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 48 I 8.51 4.80 1.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.13 0.00 0.00 49 I 8.63 4.90 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.58 0.94 0.00 0.00 50 F 9.10 5.44 0.00 2.97 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 51 L 9.42 5.38 0.00 1.56 1.56 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.49 4.94 2.18 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 1.17 0.00 0.00 0.99 0.00 0.00 53 L 9.17 5.39 0.00 1.76 1.62 0.97 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.25 4.60 0.00 1.02 1.41 0.00 0.86 0.00 0.00 1.33 0.00 0.00 2.56 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.99 0.63 7.81 55 T 8.66 4.53 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 1.22 0.00 0.00 56 D 8.36 5.15 0.00 2.86 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 57 N 8.95 4.25 0.00 2.78 2.93 0.00 0.00 6.81 8.08 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 58 D 8.21 4.41 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.03 4.01 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 1.47 0.00 0.00 60 I 7.69 3.52 1.09 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 1.01 0.35 0.00 0.00 61 G 8.30 3.47 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 0.00 62 A 8.09 3.97 1.48 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 0.00 0.00 63 L 7.60 3.16 0.00 0.27 1.21 0.36 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 64 S 7.98 4.09 0.00 3.83 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 65 G 7.71 3.60 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 0.00 0.00 0.00 66 K 8.10 4.17 0.00 1.78 1.87 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.64 7.81 67 L 8.24 4.07 0.00 1.76 1.67 0.83 0.75 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 68 G 8.14 3.73 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 0.00 0.00 0.00 69 Q 7.41 4.41 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.76 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 70 I 7.41 4.03 1.98 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 1.19 1.34 0.99 0.00 0.00 71 S 8.64 4.18 0.00 3.81 3.79 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 72 G 9.23 3.93 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 0.00 0.00 0.00 73 V 7.37 4.88 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 0.84 0.00 0.00 0.96 0.00 0.00 74 R 8.91 4.93 0.00 1.76 1.75 0.00 3.12 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 75 V 8.29 4.90 2.05 0.00 0.00 0.00 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 0.89 0.00 0.00 76 K 9.23 4.63 0.00 1.77 1.67 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.56 7.81 77 T 8.69 5.10 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 1.26 0.00 0.00 78 V 9.01 4.59 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 1.00 0.00 0.00 0.98 0.00 0.00 79 P 0.00 4.54 0.00 2.03 2.00 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 80 L 8.72 3.94 0.00 1.70 1.76 0.83 0.25 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 81 K 7.89 4.17 0.00 1.92 1.77 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.