NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2687 8.3344 116.7891 57.6459 62.9953 170.4147 5 L 3.5864 7.8180 126.1335 53.0790 41.2057 175.1815 6 K 4.5210 9.2890 125.4170 56.6121 34.4765 176.8527 7 K 4.4756 8.1341 118.3170 51.9425 32.4905 174.6464 8 G 3.8993 7.2549 106.1584 44.3824 0.0000 172.6728 9 V 4.3371 8.6534 119.6294 64.2566 32.7897 176.4659 10 F 3.9829 8.0710 111.4201 57.3873 36.8426 176.1709 11 V 3.3983 7.7263 126.3210 61.9719 30.8967 175.3403 12 D 4.2690 8.6441 124.5875 54.8470 41.1977 177.9990 13 D 4.2889 8.8609 124.7267 57.3512 40.7050 177.9655 14 H 4.2757 8.0333 111.6770 57.0482 28.4805 175.4016 15 L 4.5715 8.1636 120.9876 56.9296 43.2732 178.5877 16 L 3.9290 7.3582 118.2301 57.5454 41.4805 179.4263 17 E 3.8385 8.0402 119.3188 59.2447 29.7725 178.2044 18 K 4.2013 7.9817 116.3202 57.6239 32.6068 177.0395 19 V 3.9885 7.9968 118.0997 65.0940 32.6827 177.4211 20 L 4.3053 8.3577 119.3613 56.1833 41.8813 178.3335 21 E 4.1925 7.9794 115.5898 57.6992 30.1455 177.3466 22 L 4.6815 7.4655 118.5163 54.4987 42.0741 177.1590 23 N 4.9154 7.9868 118.6883 53.8026 40.7858 174.0062 24 A 4.4654 7.6041 121.3586 49.6677 16.9827 176.7136 25 K 3.9513 8.7903 116.9867 56.9512 30.3470 179.0366 26 G 4.3595 7.1956 104.8290 46.6485 0.0000 176.7863 27 E 4.7165 7.3905 134.0017 55.3529 30.1531 180.5813 28 K 4.3896 8.5867 125.7704 56.3006 30.7229 176.9359 29 R 4.7066 8.1170 127.7087 57.0235 31.0332 175.2106 30 L 4.1562 7.8891 121.7307 55.2784 40.1647 178.2763 31 I 4.0198 7.1970 120.1706 59.8584 38.5405 175.0476 32 K 3.8596 8.2790 127.9275 55.9402 31.5489 176.1615 33 T 4.4950 7.9283 119.9651 60.1819 70.0548 174.3504 34 W 4.9997 8.7593 120.5709 56.3032 31.9795 176.8049 35 S 4.6787 8.0372 116.0382 57.2293 60.9674 175.3694 36 R 4.0795 7.9265 119.5004 58.8933 29.8229 178.9209 37 R 4.3781 7.9798 114.0938 56.8918 30.1202 175.9831 38 S 4.2491 8.0575 115.5124 56.9283 64.8729 174.0303 39 T 3.9311 7.7804 119.6918 64.0743 69.1324 173.6908 40 I 3.8699 8.0444 125.7996 61.3487 37.9106 175.7974 41 V 3.4108 8.4728 120.9229 60.7530 30.8159 175.1357 42 P 4.4103 0.0000 0.0000 63.7388 30.4784 176.7138 43 E 4.4099 8.0679 116.7477 56.6783 33.0508 174.8718 44 M 3.8248 7.8908 121.9358 56.3356 32.3464 176.3754 45 V 4.3251 7.8721 115.9136 59.7382 35.3974 175.9285 46 G 3.5622 8.0805 114.3590 47.1366 0.0000 173.1930 47 H 4.0869 7.5625 121.3827 55.0519 26.6433 173.8894 48 T 3.9882 8.1884 113.9446 61.9048 69.8788 173.0598 49 I 4.8020 8.7517 126.5172 58.4668 39.7716 177.5414 50 A 4.6049 8.4573 132.6610 51.7292 17.5772 177.2675 51 V 3.6773 7.8757 120.1050 64.0215 32.3828 174.9553 52 Y 4.9008 8.1970 128.5459 57.0337 39.2122 175.3982 53 N 4.7710 6.9167 119.3568 51.8769 37.5590 176.2286 54 G 4.3346 7.3383 110.8262 47.0754 0.0000 171.4926 55 K 4.1622 8.0427 119.2826 56.5092 33.4477 175.8189 56 Q 4.9281 7.8919 113.8507 54.5687 33.4247 173.9001 57 H 4.9180 8.7825 116.6876 55.4508 28.9725 176.4910 58 V 3.9602 8.5776 119.2038 59.5564 30.9354 173.2570 59 P 4.3970 0.0000 0.0000 63.2088 31.4917 175.5537 60 V 4.4182 8.2397 125.3233 59.8458 33.9601 176.1931 61 Y 4.1536 8.4960 126.0185 58.6995 39.2277 175.6590 62 I 4.3112 6.2701 111.5439 60.5042 39.5866 175.9918 63 T 4.5053 7.6218 113.2186 61.3479 69.5424 173.9509 64 E 4.2107 8.3398 119.9644 59.0105 30.4108 178.1127 65 N 4.3699 8.4524 115.1703 56.6891 38.5049 176.2711 66 M 4.4852 7.7566 118.1979 55.7383 29.0013 175.6561 67 V 3.9750 7.9367 125.2467 65.4805 32.9473 177.5642 68 G 3.6789 8.1188 108.0985 48.7768 0.0000 173.5995 69 H 4.2593 7.6887 115.7364 55.0422 29.5377 174.5055 70 K 4.2461 8.7773 122.6474 55.8733 33.1381 177.7200 71 L 4.1405 8.4163 122.8981 58.3251 42.1356 180.0082 72 G 3.9566 8.2850 107.3221 48.9472 0.0000 175.1449 73 E 3.7666 8.0894 119.0713 57.8255 29.7973 177.4520 74 F 4.8865 7.6552 117.8339 56.5299 40.4393 175.7320 75 A 4.6134 8.2343 116.2549 50.2956 20.9811 175.5815 76 P 4.1465 0.0000 0.0000 63.0681 32.0284 177.3722 77 T 4.0885 8.4810 111.6520 63.4231 69.5611 175.2066 78 R 4.4681 7.6397 119.4429 55.0218 31.6710 175.8926 79 T 4.3063 8.2001 117.0136 63.1892 70.4994 173.9701 80 Y 3.7189 8.4632 121.8337 59.0005 36.5914 169.6034 81 R 3.9493 7.3581 118.9134 55.6568 32.0030 177.6888 *82 G 3.7274 8.4771 107.0405 46.5111 0.0000 172.7594 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 4 S 8.33 4.27 0.00 3.88 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 5 L 7.82 3.59 0.00 1.53 1.75 1.13 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.29 4.52 0.00 1.90 2.02 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.33 1.38 7.81 7 K 8.13 4.48 0.00 1.69 1.75 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.47 7.81 8 G 7.25 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 0.00 0.00 0.00 9 V 8.65 4.34 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 0.94 0.00 0.00 0.95 0.00 0.00 10 F 8.07 3.98 0.00 3.33 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.73 3.40 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 0.62 0.00 0.00 0.82 0.00 0.00 12 D 8.64 4.27 0.00 2.65 2.36 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 13 D 8.86 4.29 0.00 2.68 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 14 H 8.03 4.28 0.00 3.29 3.47 0.00 5.50 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.16 4.57 0.00 1.83 1.68 0.91 0.73 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 16 L 7.36 3.93 0.00 1.79 1.70 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.04 3.84 0.00 2.00 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 2.38 2.30 0.00 18 K 7.98 4.20 0.00 1.87 1.81 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.47 7.81 19 V 8.00 3.99 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 0.86 0.00 0.00 0.84 0.00 0.00 20 L 8.36 4.31 0.00 1.76 1.67 0.91 0.93 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 21 E 7.98 4.19 0.00 2.10 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 2.45 2.26 0.00 22 L 7.47 4.68 0.00 1.78 1.61 0.91 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.99 4.92 0.00 2.99 2.87 0.00 0.00 7.11 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 24 A 7.60 4.47 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 K 8.79 3.95 0.00 1.91 2.32 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.34 7.81 26 G 7.20 4.36 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 0.00 27 E 7.39 4.72 0.00 1.95 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 2.31 2.39 0.00 28 K 8.59 4.39 0.00 1.74 1.53 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.39 7.81 29 R 8.12 4.71 0.00 1.94 2.01 0.00 3.09 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.49 0.00 30 L 7.89 4.16 0.00 1.61 1.64 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.20 4.02 1.81 0.00 0.00 0.81 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 1.17 0.93 0.00 0.00 32 K 8.28 3.86 0.00 1.33 0.95 0.00 1.64 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 1.26 7.81 33 T 7.93 4.50 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 1.18 0.00 0.00 34 W 8.76 5.00 0.00 3.48 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.68 0.00 4.10 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 0.00 36 R 7.93 4.08 0.00 2.15 2.32 0.00 3.04 0.00 0.00 3.46 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.70 0.00 37 R 7.98 4.38 0.00 2.15 2.23 0.00 3.13 0.00 0.00 3.51 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 38 S 8.06 4.25 0.00 3.73 3.95 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 0.00 0.00 0.00 39 T 7.78 3.93 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 1.25 0.00 0.00 40 I 8.04 3.87 2.16 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 1.02 0.00 0.00 41 V 8.47 3.41 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 0.76 0.00 0.00 0.92 0.00 0.00 42 P 0.00 4.41 0.00 2.02 2.08 0.00 3.59 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 2.01 2.10 0.00 43 E 8.07 4.41 0.00 1.83 1.78 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 2.22 2.24 0.00 44 M 7.89 3.82 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 45 V 7.87 4.33 2.02 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 0.82 0.00 0.00 0.84 0.00 0.00 46 G 8.08 3.56 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 0.00 0.00 0.00 47 H 7.56 4.09 0.00 3.06 3.24 0.00 5.72 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.19 3.99 4.29 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 1.45 0.00 0.00 49 I 8.75 4.80 1.85 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 1.11 1.51 0.90 0.00 0.00 50 A 8.46 4.60 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 3.68 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 0.99 0.00 0.00 1.04 0.00 0.00 52 Y 8.20 4.90 0.00 2.68 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.92 4.77 0.00 2.90 2.79 0.00 0.00 7.11 7.18 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 54 G 7.34 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.04 4.16 0.00 1.61 1.71 0.00 1.66 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.39 7.81 56 Q 7.89 4.93 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 57 H 8.78 4.92 0.00 3.07 3.32 0.00 5.75 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.58 3.96 2.11 0.00 0.00 0.00 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 1.07 0.00 0.00 59 P 0.00 4.40 0.00 2.09 2.15 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 60 V 8.24 4.42 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 1.06 0.00 0.00 0.97 0.00 0.00 61 Y 8.50 4.15 0.00 2.80 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 62 I 6.27 4.31 1.67 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.64 0.52 0.00 0.00 63 T 7.62 4.51 4.33 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 0.00 0.00 0.00 1.36 0.00 0.00 64 E 8.34 4.21 0.00 1.98 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 2.27 2.26 0.00 65 N 8.45 4.37 0.00 2.75 2.94 0.00 0.00 6.91 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 66 M 7.76 4.49 0.00 2.01 2.20 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 67 V 7.94 3.97 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 0.82 0.00 0.00 1.03 0.00 0.00 68 G 8.12 3.68 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 0.00 0.00 0.00 69 H 7.69 4.26 0.00 3.48 3.31 0.00 5.90 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 70 K 8.78 4.25 0.00 1.80 1.95 0.00 2.08 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.52 7.81 71 L 8.42 4.14 0.00 1.81 1.85 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.29 3.96 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 0.00 0.00 0.00 73 E 8.09 3.77 0.00 1.26 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 2.16 2.27 0.00 74 F 7.66 4.89 0.00 3.11 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 75 A 8.23 4.61 1.27 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 0.00 0.00 0.00 76 P 0.00 4.15 0.00 2.17 2.10 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 77 T 8.48 4.09 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 1.17 0.00 0.00 78 R 7.64 4.47 0.00 1.81 1.89 0.00 3.19 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 79 T 8.20 4.31 4.29 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 1.28 0.00 0.00 80 Y 8.46 3.72 0.00 2.96 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 R 7.36 3.95 0.00 1.78 1.83 0.00 3.44 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 *82 G 8.48 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 * Residues marked with a * may have inaccurate shift predictions.