NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 P 4.4624 0.0000 0.0000 62.6408 32.7665 175.5173 1 H 4.6493 8.6184 118.9786 53.1699 32.2629 171.3014 2 M 4.3907 8.3635 121.9569 54.2956 33.2503 174.5189 3 D 5.6059 8.3242 124.5868 50.7263 43.4366 174.5243 4 T 4.6069 8.7405 114.6895 60.1259 70.0645 172.7463 5 K 4.7950 8.6248 128.5966 55.8841 34.7396 175.3339 6 I 4.5462 8.7068 127.1500 59.5998 39.1273 174.3815 7 I 4.8787 8.4264 128.6504 59.4478 39.8360 173.9464 8 Y 5.2207 8.8174 127.0873 55.5492 41.7320 173.9191 9 H 5.2612 8.9151 118.0118 54.6472 31.8867 173.3811 10 M 4.8994 8.5771 119.2981 55.1707 35.8530 177.8665 11 D 3.8825 8.4742 117.4110 55.7667 42.6961 175.0302 *13 E 4.1004 7.5624 121.0530 54.7788 30.7033 175.4642 14 E 4.0456 8.8469 121.2369 59.1958 29.6016 177.0883 15 T 4.6693 7.3478 106.7290 58.7328 71.4013 171.9219 16 P 4.3097 0.0000 0.0000 62.8168 32.2904 175.5908 17 D 4.6387 7.9579 121.6520 53.2546 42.9505 175.3955 18 L 5.2627 8.1388 121.6889 53.5220 45.1798 175.5945 19 V 4.5562 9.0127 125.0812 61.0924 35.3583 174.4889 20 K 4.8450 8.6131 126.0061 54.5804 33.1596 175.7758 21 L 4.3149 8.7681 126.7071 53.3530 43.0186 175.6803 22 P 4.8785 0.0000 0.0000 63.6641 31.8287 175.9146 23 V 4.3765 7.7492 118.1376 61.8643 34.5257 174.1746 24 A 4.5601 8.1098 126.4963 50.8240 19.9161 176.8718 25 P 4.2002 0.0000 0.0000 65.7076 31.4168 178.7621 26 E 4.1209 8.1971 113.1929 58.1726 29.2884 177.2277 27 R 4.5357 7.8604 116.8409 55.6888 32.0780 176.3243 28 V 3.9984 7.6453 113.0530 61.3118 32.4009 175.3430 29 T 5.5369 9.0684 112.6130 57.8444 71.7632 174.7208 30 L 3.7693 8.4617 124.2006 58.5323 41.9682 179.4669 31 A 3.8702 7.7674 120.4232 55.1983 18.1409 178.8823 32 D 4.3246 7.7608 116.0033 57.7502 41.1848 178.6395 33 F 4.5843 8.2410 120.0174 61.7718 39.3346 177.2197 34 K 3.5495 8.2669 118.0165 59.3503 31.5600 178.6468 35 N 4.5113 7.9801 115.0952 54.8132 38.5444 176.2535 36 V 4.2007 7.6149 118.4479 62.4910 32.5371 175.4352 37 L 4.6757 7.4210 118.3888 54.8021 42.2963 178.8235 38 S 4.1078 8.4817 117.0343 62.0588 62.8328 175.7100 39 N 4.7796 8.0905 113.7979 52.8395 37.0990 174.3300 40 R 4.7816 7.8408 114.1697 54.3129 33.2830 174.0417 41 P 4.6766 0.0000 0.0000 63.1909 30.0746 177.9410 42 V 3.7222 7.5602 123.1840 66.2877 32.7260 177.4610 43 H 4.0943 8.3657 117.5394 59.0338 29.9349 175.4721 44 A 4.2804 8.7970 120.8232 52.5969 18.0610 175.7867 45 Y 5.1382 7.6498 113.4460 56.6012 41.8753 175.1097 46 K 4.6405 9.1628 121.4590 54.9343 35.0453 175.3625 47 F 4.7564 8.6810 122.4343 55.8572 41.1757 174.4659 48 F 5.4014 8.7871 122.7439 55.6535 42.1048 174.7184 49 F 5.3911 9.6243 121.4001 55.2648 42.1497 174.3519 50 K 4.6826 8.8739 125.3587 57.6944 32.2513 175.7809 51 S 4.9262 9.0192 119.0157 57.7158 66.4996 173.9342 52 M 4.5281 8.9383 121.8226 55.4346 33.2334 176.1685 53 D 4.8258 8.6292 120.6293 52.6416 43.0526 174.3403 54 Q 4.4053 7.9866 116.9702 56.3839 29.0100 177.9172 55 D 4.4778 8.7922 120.2503 54.4842 41.2933 175.7827 56 F 4.8467 9.1272 119.9795 55.5329 42.6806 176.4082 57 G 4.5830 8.0386 117.8038 45.0106 0.0000 176.1174 58 V 4.0979 8.4256 124.6387 63.4999 32.1233 174.0772 59 V 4.2735 8.1894 122.4377 62.3023 35.5629 172.4654 60 K 5.1131 8.4276 125.3575 54.6056 32.0073 174.2019 61 E 4.2398 9.2842 126.1360 55.9083 30.7083 174.9922 62 E 4.7362 9.0206 128.4219 55.7648 30.8342 175.4074 63 I 4.5020 8.5926 126.3927 59.5285 40.2420 175.3578 64 F 4.8027 7.7607 118.1417 56.2749 39.6819 174.3572 65 D 4.7026 7.7474 121.7505 53.1738 40.9113 176.2187 66 D 4.4257 8.8495 127.7890 56.9925 40.9906 178.1090 67 N 4.5693 8.2578 114.4507 53.7328 39.4472 175.3363 68 A 4.1537 8.1222 122.2234 51.3591 19.4025 177.5802 69 K 4.9971 8.5169 120.7427 56.3447 33.0637 176.1815 70 L 4.2361 7.9501 121.6696 52.2296 43.5279 174.8776 71 P 4.2514 0.0000 0.0000 63.3110 31.3518 176.6925 72 C 4.7349 8.1875 122.3168 56.6965 27.0657 172.2326 73 F 4.1721 8.2529 123.4197 59.0222 37.5675 174.1744 74 N 4.0246 8.5321 127.8308 53.9591 34.8602 175.7703 75 G 4.0122 8.5765 107.0691 44.9795 0.0000 173.4582 76 R 4.7909 7.6022 116.8400 54.2265 34.6287 174.4883 77 V 4.5876 8.3722 119.0138 61.2025 35.1560 174.3184 78 V 4.8088 8.3734 125.5962 61.1510 34.5519 173.9942 79 S 4.9482 8.5443 121.2671 56.1586 66.6292 172.3067 80 W 5.0772 9.1237 123.6702 54.8786 32.3846 174.3335 81 L 4.7978 8.7148 125.3969 53.2815 42.4532 176.0519 82 V 4.5039 8.4250 124.8811 60.5531 33.9760 174.3855 83 L 4.2806 8.9483 127.4113 55.1721 42.0533 176.8877 84 A 3.8917 8.6464 126.9071 53.6628 19.0402 177.2392 85 E 4.0397 8.2792 120.9374 56.4352 29.3398 175.9630 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 0 P 0.00 4.46 0.00 2.06 2.07 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 1 H 8.62 4.65 0.00 3.15 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 M 8.36 4.39 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.56 0.00 3 D 8.32 5.61 0.00 2.92 2.58 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 0.00 4 T 8.74 4.61 4.21 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 0.00 0.00 1.29 0.00 0.00 5 K 8.62 4.80 0.00 1.86 1.93 0.00 1.53 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.45 7.81 6 I 8.71 4.55 1.73 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 0.87 0.49 0.33 0.00 0.00 7 I 8.43 4.88 1.78 0.00 0.00 0.62 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 1.05 0.92 0.00 0.00 8 Y 8.82 5.22 0.00 3.05 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 9 H 8.92 5.26 0.00 3.06 3.25 0.00 5.77 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.58 4.90 0.00 1.85 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 11 D 8.47 3.88 0.00 2.89 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 *13 E 7.56 4.10 0.00 1.97 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 2.21 2.30 0.00 14 E 8.85 4.05 0.00 1.91 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 2.30 2.27 0.00 15 T 7.35 4.67 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 16 P 0.00 4.31 0.00 1.73 1.66 0.00 3.60 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 1.96 2.12 0.00 17 D 7.96 4.64 0.00 1.58 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 0.00 0.00 0.00 18 L 8.14 5.26 0.00 1.52 1.44 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.01 4.56 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 1.12 0.00 0.00 1.31 0.00 0.00 20 K 8.61 4.84 0.00 1.64 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.50 7.81 21 L 8.77 4.31 0.00 1.59 1.58 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.88 0.00 2.06 2.14 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.08 0.00 23 V 7.75 4.38 2.06 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 0.99 0.00 0.00 0.92 0.00 0.00 24 A 8.11 4.56 1.25 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 0.00 0.00 25 P 0.00 4.20 0.00 2.16 2.09 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 26 E 8.20 4.12 0.00 2.05 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 2.26 2.27 0.00 27 R 7.86 4.54 0.00 1.87 1.92 0.00 3.15 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 28 V 7.65 4.00 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 0.69 0.00 0.00 0.90 0.00 0.00 29 T 9.07 5.54 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 1.23 0.00 0.00 30 L 8.46 3.77 0.00 1.64 1.64 0.59 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.77 3.87 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 32 D 7.76 4.32 0.00 2.81 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 33 F 8.24 4.58 0.00 2.94 3.12 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 34 K 8.27 3.55 0.00 1.79 1.71 0.00 1.55 0.00 0.00 1.52 0.00 0.00 2.52 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.02 1.11 7.81 35 N 7.98 4.51 0.00 2.89 2.86 0.00 0.00 6.86 6.96 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 36 V 7.61 4.20 2.28 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 0.92 0.00 0.00 0.97 0.00 0.00 37 L 7.42 4.68 0.00 1.77 1.53 0.54 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.48 4.11 0.00 3.86 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 39 N 8.09 4.78 0.00 2.86 2.93 0.00 0.00 5.76 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 40 R 7.84 4.78 0.00 1.99 1.98 0.00 2.99 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 41 P 0.00 4.68 0.00 2.22 2.08 0.00 3.99 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 42 V 7.56 3.72 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 1.04 0.00 0.00 0.96 0.00 0.00 43 H 8.37 4.09 0.00 3.16 3.36 0.00 5.97 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 44 A 8.80 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 7.65 5.14 0.00 2.81 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 9.16 4.64 0.00 1.81 1.40 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.61 7.81 47 F 8.68 4.76 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.79 5.40 0.00 3.31 3.05 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 0.00 0.00 0.00 0.00 49 F 9.62 5.39 0.00 3.10 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 50 K 8.87 4.68 0.00 2.10 1.85 0.00 1.68 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.33 0.00 0.00 0.00 0.00 1.24 1.36 7.81 51 S 9.02 4.93 0.00 4.03 4.05 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 0.00 0.00 0.00 0.00 52 M 8.94 4.53 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.66 0.00 53 D 8.63 4.83 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 7.99 4.41 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 55 D 8.79 4.48 0.00 2.16 2.53 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 56 F 9.13 4.85 0.00 3.03 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 57 G 8.04 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 0.00 0.00 0.00 0.00 58 V 8.43 4.10 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 0.67 0.00 0.00 0.98 0.00 0.00 59 V 8.19 4.27 2.24 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 0.84 0.00 0.00 0.91 0.00 0.00 60 K 8.43 5.11 0.00 1.40 1.61 0.00 1.06 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.81 1.03 7.81 61 E 9.28 4.24 0.00 2.19 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 0.00 2.39 2.33 0.00 62 E 9.02 4.74 0.00 1.79 1.90 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 2.20 2.02 0.00 63 I 8.59 4.50 2.06 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.76 0.00 0.00 64 F 7.76 4.80 0.00 3.04 3.17 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 65 D 7.75 4.70 0.00 2.90 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 66 D 8.85 4.43 0.00 2.81 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 67 N 8.26 4.57 0.00 2.99 2.84 0.00 0.00 6.94 6.64 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 68 A 8.12 4.15 1.15 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 0.00 0.00 69 K 8.52 5.00 0.00 1.58 1.69 0.00 1.75 0.00 0.00 2.30 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.22 7.81 70 L 7.95 4.24 0.00 1.24 0.99 0.59 0.33 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 71 P 0.00 4.25 0.00 2.37 2.11 0.00 3.23 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.11 0.00 72 C 8.19 4.73 0.00 2.93 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 73 F 8.25 4.17 0.00 3.04 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 74 N 8.53 4.02 0.00 2.78 2.87 0.00 0.00 7.33 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 75 G 8.58 4.01 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 0.00 76 R 7.60 4.79 0.00 1.79 1.83 0.00 3.09 0.00 0.00 3.31 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 77 V 8.37 4.59 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 0.97 0.00 0.00 0.91 0.00 0.00 78 V 8.37 4.81 1.85 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 0.31 0.00 0.00 0.87 0.00 0.00 79 S 8.54 4.95 0.00 3.59 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 80 W 9.12 5.08 0.00 3.42 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 81 L 8.71 4.80 0.00 1.30 1.03 0.97 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 82 V 8.43 4.50 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 1.00 0.00 0.00 1.19 0.00 0.00 83 L 8.95 4.28 0.00 1.57 1.59 0.45 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 84 A 8.65 3.89 1.21 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 0.00 0.00 0.00 0.00 0.00 85 E 8.28 4.04 0.00 2.04 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 2.26 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.