NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4185 8.3349 115.4116 58.7131 64.4106 173.3690 -1 N 4.5984 8.3393 117.2439 53.0600 38.8778 175.3062 0 A 3.9805 8.7878 124.6251 55.7415 19.2428 180.3357 1 T 3.8065 7.8559 113.4715 66.9232 68.6067 176.9014 2 K 4.0249 7.9564 119.7644 59.4618 32.0470 179.2392 3 T 3.8839 8.1032 116.3127 66.9358 68.3961 176.6210 4 I 3.7574 7.9510 121.4914 64.4609 37.1549 177.8135 5 H 4.0854 8.3488 119.1470 59.5513 29.6317 177.0343 6 N 4.3272 8.7610 118.3209 56.2416 38.2463 177.3344 7 A 4.0078 7.8481 122.4013 55.1754 18.4048 179.9585 8 R 3.8269 8.0202 116.7351 59.3898 30.0924 178.6670 9 Y 3.8076 8.0691 119.4562 60.7540 38.7063 178.0869 10 Q 3.9577 8.4230 118.9080 58.7408 28.6818 178.5431 11 A 3.9118 8.2606 122.2435 54.9191 18.3650 179.3068 12 L 3.7681 7.9103 118.9601 58.3316 42.0165 179.2203 13 L 3.7507 7.6245 118.7884 57.5940 41.4320 178.8581 14 D 4.2921 8.2082 118.1363 57.5697 41.1455 178.4858 15 L 3.9920 8.1415 119.5533 57.8197 41.4841 179.6100 16 L 4.0770 8.0531 119.1334 57.4718 41.4460 179.3021 17 L 3.9708 8.2196 120.6712 58.0448 42.0180 178.3304 18 E 3.8907 8.3791 119.2417 59.4803 29.4806 178.8257 19 A 3.9762 8.1114 120.5464 55.1157 18.3294 179.6340 20 R 3.7931 8.3488 117.5726 59.5832 30.3297 178.5379 21 S 4.0841 8.3596 112.9656 61.5273 62.1384 176.0942 22 A 4.0306 8.0936 122.1518 54.9213 18.1986 178.9909 23 A 4.1561 7.8579 117.8685 52.5280 18.6615 177.6530 24 G 3.7883 7.7802 104.6650 46.8033 0.0000 173.5837 25 I 4.4061 7.2794 120.3761 58.9639 39.3502 176.9637 26 T 4.2402 8.1854 115.7083 61.0341 71.0022 175.6342 27 Q 3.9415 8.5163 120.4384 59.1484 28.7891 179.0601 28 K 3.8933 8.0598 119.9649 59.5998 32.1843 178.2080 29 E 3.9070 8.2443 119.4832 59.0158 29.5718 178.4460 30 L 3.7856 8.1433 120.4392 58.0553 42.1519 178.7149 31 A 3.9748 8.3738 120.8383 55.1315 18.3060 179.2449 32 A 3.9237 7.9957 119.1353 55.6568 18.2292 180.1127 33 R 3.8669 7.7090 114.9917 59.2935 30.1928 178.8760 34 L 4.1707 7.8027 117.3077 54.7809 41.9106 177.0982 35 G 3.8437 7.8509 106.6411 46.7827 0.0000 173.5380 36 R 4.6378 7.7464 116.2712 52.8350 34.1627 174.0650 37 P 4.4820 0.0000 0.0000 62.3721 32.1150 177.6662 38 Q 4.0872 8.7349 121.2141 59.3568 28.8047 178.7409 39 S 4.4903 8.1895 116.3271 60.6554 62.7405 176.1730 40 F 4.1299 8.2216 124.2835 61.2600 39.0717 177.3624 41 V 3.7443 7.9819 117.5138 66.0579 31.6516 177.9579 42 S 4.1409 8.3859 114.3528 61.5559 62.7381 176.6516 43 K 4.0438 8.5162 122.5259 59.0633 31.8558 179.5818 44 T 3.7099 7.6984 116.2076 66.7815 68.1721 176.6219 45 E 4.0145 8.1991 119.1444 59.0684 29.5599 178.2619 46 N 4.5996 8.2294 113.6252 52.3877 38.8834 174.7835 47 A 3.8215 7.6289 121.7413 53.4896 16.6576 178.0326 48 E 4.5187 8.4053 117.6574 57.7945 30.1516 176.3821 49 R 4.6691 7.3647 113.9918 54.6743 32.4619 174.2978 50 R 4.4064 8.2475 118.0394 54.8871 31.4384 176.2156 51 L 4.5554 8.7701 123.4402 54.0254 42.5863 176.6790 52 D 4.8747 8.9625 123.5616 51.5537 41.2422 177.9180 53 V 3.7101 8.2165 118.7391 64.7390 31.7724 177.9507 54 I 3.9212 8.0624 120.5395 64.4718 37.3971 176.9951 55 E 4.2428 9.2119 120.3651 59.6244 29.5475 180.0321 56 F 4.3081 8.6462 119.0087 58.8163 39.0426 176.3371 56 D 4.3281 8.6862 119.1087 55.3163 40.5426 176.8371 59 F 3.9934 8.7897 121.0566 61.4754 39.3443 176.8312 60 C 4.0220 7.9650 115.6749 63.1041 27.8530 176.2364 61 R 4.0211 7.9900 119.0502 59.2740 29.4267 179.2483 62 G 3.5616 8.0074 104.4155 46.9454 0.0000 174.6714 63 I 4.1811 7.3172 112.5687 60.7627 38.2887 176.6641 64 G 3.9235 7.7907 108.9686 45.4019 0.0000 172.8049 65 T 4.4626 7.4446 113.5014 59.5787 69.3583 174.0893 66 D 4.4863 8.5563 127.5420 53.6191 42.1233 175.2108 67 P 4.1999 0.0000 0.0000 66.2101 31.3750 178.0385 68 Y 4.0734 8.3788 116.3419 60.7964 37.7896 178.4539 69 A 4.0943 8.3494 121.3106 54.9267 18.5368 179.3003 70 L 3.9626 8.1786 118.9054 58.3678 42.1813 179.1309 71 L 3.9602 8.2032 118.9309 57.9822 41.5393 179.7245 72 S 4.1355 8.1994 115.0709 61.4281 62.5426 176.7012 73 K 3.9422 7.9261 121.2708 59.3288 32.0452 178.2366 74 L 4.0798 7.8529 119.5251 58.4108 42.1076 178.6483 75 E 4.0930 8.2547 117.0236 58.6832 30.0985 179.2594 76 A 4.2785 7.6394 122.8254 51.4014 17.9226 178.8542 *78 T 4.1029 7.4359 117.8708 63.1132 69.6731 173.1987 79 P 4.4194 0.0000 0.0000 62.8427 31.2977 176.7519 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 S 8.33 4.42 0.00 3.99 3.99 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 0.00 0.00 0.00 -1 N 8.34 4.60 0.00 2.84 2.83 0.00 0.00 6.72 6.28 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 A 8.79 3.98 1.33 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 1 T 7.86 3.81 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 1.20 0.00 0.00 2 K 7.96 4.02 0.00 1.78 1.83 0.00 1.65 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.10 3.88 4.41 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 0.00 0.00 0.00 1.21 0.00 0.00 4 I 7.95 3.76 1.88 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 1.41 0.69 0.91 0.00 0.00 5 H 8.35 4.09 0.00 3.19 3.50 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 6 N 8.76 4.33 0.00 2.75 2.87 0.00 0.00 6.96 7.05 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 7 A 7.85 4.01 1.33 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 8 R 8.02 3.83 0.00 1.99 1.95 0.00 3.12 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 9 Y 8.07 3.81 0.00 2.93 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 10 Q 8.42 3.96 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.63 2.55 0.00 11 A 8.26 3.91 1.33 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 12 L 7.91 3.77 0.00 1.62 1.44 0.87 0.07 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 13 L 7.62 3.75 0.00 1.76 1.57 0.96 0.52 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 14 D 8.21 4.29 0.00 2.86 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 15 L 8.14 3.99 0.00 1.86 1.72 0.91 0.83 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 16 L 8.05 4.08 0.00 1.79 1.77 0.62 0.39 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 L 8.22 3.97 0.00 1.76 1.83 0.95 1.10 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 18 E 8.38 3.89 0.00 2.17 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 2.32 2.35 0.00 19 A 8.11 3.98 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.35 3.79 0.00 1.93 1.98 0.00 3.14 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 21 S 8.36 4.08 0.00 3.93 4.06 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 22 A 8.09 4.03 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 23 A 7.86 4.16 1.36 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 24 G 7.78 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 0.00 0.00 0.00 25 I 7.28 4.41 1.83 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 1.32 0.85 0.85 0.00 0.00 26 T 8.19 4.24 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 1.21 0.00 0.00 27 Q 8.52 3.94 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 28 K 8.06 3.89 0.00 1.94 1.81 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 29 E 8.24 3.91 0.00 2.11 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 0.00 2.27 2.32 0.00 30 L 8.14 3.79 0.00 1.62 1.68 0.61 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.37 3.97 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.00 3.92 1.36 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 33 R 7.71 3.87 0.00 1.91 1.95 0.00 3.18 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 34 L 7.80 4.17 0.00 1.69 1.58 1.01 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.85 3.84 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 0.00 0.00 0.00 36 R 7.75 4.64 0.00 1.55 1.57 0.00 2.21 0.00 0.00 2.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.43 0.00 37 P 0.00 4.48 0.00 2.25 2.00 0.00 3.64 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 2.16 2.09 0.00 38 Q 8.73 4.09 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 39 S 8.19 4.49 0.00 4.14 4.17 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 40 F 8.22 4.13 0.00 3.21 3.32 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 41 V 7.98 3.74 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 1.21 0.00 0.00 1.09 0.00 0.00 42 S 8.39 4.14 0.00 4.10 4.31 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 0.00 0.00 0.00 43 K 8.52 4.04 0.00 1.85 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.46 1.61 7.81 44 T 7.70 3.71 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 0.79 0.00 0.00 45 E 8.20 4.01 0.00 1.95 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 2.43 2.71 0.00 46 N 8.23 4.60 0.00 2.73 2.85 0.00 0.00 6.98 6.86 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 47 A 7.63 3.82 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 4.52 0.00 1.94 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 2.44 2.37 0.00 49 R 7.36 4.67 0.00 1.85 1.82 0.00 2.94 0.00 0.00 2.91 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.54 0.00 50 R 8.25 4.41 0.00 1.78 1.78 0.00 3.21 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 51 L 8.77 4.56 0.00 1.77 1.68 0.60 1.22 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 52 D 8.96 4.87 0.00 2.95 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 53 V 8.22 3.71 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 0.77 0.00 0.00 0.94 0.00 0.00 54 I 8.06 3.92 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.84 0.95 0.00 0.00 55 E 9.21 4.24 0.00 2.32 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.64 0.00 56 F 8.65 4.31 0.00 3.08 3.16 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 0.00 56 D 8.69 4.33 0.00 2.66 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 59 F 8.79 3.99 0.00 3.35 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 60 C 7.96 4.02 0.00 2.70 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 61 R 7.99 4.02 0.00 1.98 1.96 0.00 3.15 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 62 G 8.01 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 63 I 7.32 4.18 1.83 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.71 0.74 0.00 0.00 64 G 7.79 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.44 4.46 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 1.19 0.00 0.00 66 D 8.56 4.49 0.00 2.80 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.13 1.94 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 68 Y 8.38 4.07 0.00 3.19 3.10 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 69 A 8.35 4.09 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 70 L 8.18 3.96 0.00 1.97 1.92 1.05 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.20 3.96 0.00 1.93 1.68 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 72 S 8.20 4.14 0.00 4.10 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 73 K 7.93 3.94 0.00 1.79 2.05 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.46 7.81 74 L 7.85 4.08 0.00 1.63 1.82 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.25 4.09 0.00 2.10 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 2.32 2.51 0.00 76 A 7.64 4.28 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 *78 T 7.44 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 1.21 0.00 0.00 79 P 0.00 4.42 0.00 2.04 1.98 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 * Residues marked with a * may have inaccurate shift predictions.