NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.1898 8.3344 116.7893 57.5047 64.8875 172.2290 5 L 3.5809 8.1570 122.5826 53.6458 39.0988 171.1772 6 K 4.6444 8.9147 122.8550 55.9409 34.3187 177.8739 7 K 4.6547 7.5794 117.2784 53.5486 33.7099 175.5514 8 G 3.9511 6.9991 106.0941 46.5001 0.0000 171.1076 9 V 4.2407 8.3367 117.4208 64.3258 34.3141 174.4608 10 F 4.1568 8.4438 110.8062 58.0990 37.2201 177.1719 11 V 3.4640 8.0953 125.8604 62.1777 29.1840 173.5586 12 D 4.3100 7.6233 125.5185 53.4861 39.9201 177.7155 13 D 4.2038 8.9307 126.2728 57.2778 40.6673 177.8791 14 H 4.3408 8.1626 113.3245 57.3582 28.5995 176.7008 15 L 4.2149 7.6877 122.6080 57.4296 41.9725 178.3052 16 L 3.8692 7.1135 117.4950 58.1040 41.2041 179.0706 17 E 3.8630 8.2681 118.3371 59.6446 28.9597 178.9301 18 K 3.8215 7.9456 118.6952 59.1929 32.2520 178.1675 19 V 3.8644 8.0471 116.3940 63.8610 31.6568 176.6212 20 L 4.6980 8.1567 116.6486 55.0538 42.4753 176.1745 21 E 4.6090 7.6824 116.5171 55.7529 31.4597 176.2124 22 L 4.4230 7.6565 119.4683 55.3319 43.1106 177.5480 23 N 4.4830 7.9856 115.0650 54.8369 38.3888 175.1752 24 A 4.4738 7.4279 122.1162 50.2760 15.6270 176.7277 25 K 3.9569 8.7230 119.3258 57.8399 30.4361 178.5737 26 G 3.6131 7.9707 103.7364 46.5360 0.0000 174.1434 27 E 4.8953 8.2045 135.0000 54.8647 32.1568 176.0614 28 K 4.5970 8.3913 119.7092 54.9563 30.8593 176.4161 29 R 3.8511 8.4164 129.9253 55.0682 33.7598 174.9483 30 L 3.3025 7.4591 122.9793 54.2513 40.7193 176.7241 31 I 4.0709 7.0362 124.6164 60.0413 39.0922 175.0745 32 K 4.4534 8.3270 129.8413 56.0580 32.6773 176.3165 33 T 4.7131 8.4658 119.0385 60.3459 71.6350 173.7324 34 W 5.1289 8.9559 118.6421 56.1724 31.4867 175.8239 35 S 4.6810 9.2776 116.0693 58.3554 62.4203 175.8981 36 R 4.4118 8.4932 115.3955 58.3697 29.3346 176.8014 37 R 4.7156 7.9277 114.6684 56.0568 29.9059 175.4463 38 S 4.6027 8.1230 112.8483 57.3941 66.4160 172.7280 39 T 4.4072 7.4879 116.6575 62.1859 69.9007 174.8212 40 I 3.9499 8.2409 126.5407 61.1809 37.7536 175.8648 41 V 4.3353 8.1761 125.7376 59.9182 33.7526 172.9971 42 P 4.2156 0.0000 0.0000 64.4294 31.5811 175.9012 43 E 3.7736 8.7246 118.6370 57.7536 26.9611 175.0928 44 M 4.2889 7.6141 116.6635 55.3967 32.5573 176.6447 45 V 3.6414 7.3970 113.3623 62.0162 32.1488 177.3895 46 G 4.2236 7.8835 109.2363 45.0679 0.0000 174.8304 47 H 4.3827 7.7903 115.8273 57.3762 29.7042 174.7539 48 T 5.0537 7.5449 101.0375 62.7495 68.3808 173.4791 49 I 3.8906 7.4121 125.9164 62.1960 39.3412 176.6365 50 A 4.8454 9.0212 128.8714 50.6329 19.7154 176.0493 51 V 4.1437 8.1267 121.9536 63.2548 33.2037 174.3484 52 Y 5.4597 8.1926 128.2227 55.5743 39.8555 174.7609 53 N 4.8157 8.0453 121.1849 52.5609 37.9554 175.1082 54 G 4.1162 7.8214 105.9547 45.6699 0.0000 174.3084 55 K 4.4004 6.7124 116.6412 57.2711 36.2296 175.4252 56 Q 4.5638 7.5887 114.6030 55.3033 32.5619 174.0446 57 H 5.0813 8.7368 118.3521 54.4020 28.1236 173.6824 58 V 3.9115 8.6644 122.6366 60.2915 32.5252 174.1797 59 P 4.6652 0.0000 0.0000 62.7055 31.7874 175.9341 60 V 4.0208 8.3852 124.3822 60.9040 33.0091 173.7947 61 Y 3.5776 9.1285 123.5616 58.2598 37.9779 175.9609 62 I 3.4350 8.7683 125.3675 61.3430 38.6773 171.3493 63 T 4.7493 8.1219 121.1744 59.3623 70.5933 174.0889 64 E 3.9647 8.9394 122.0468 59.2556 29.1185 178.4006 65 N 4.4920 7.8030 117.3053 56.4309 39.2174 176.4944 66 M 4.6336 7.7274 116.5713 55.6499 28.4792 174.5433 67 V 4.1161 7.2600 121.9611 65.0947 34.3941 176.7688 68 G 3.7620 8.0996 108.4400 48.9737 0.0000 173.1768 69 H 4.3749 7.7044 116.8072 55.6484 29.4183 173.9748 70 K 5.0492 8.5959 118.6764 55.0524 33.6583 176.5303 71 L 4.9663 8.1629 118.7392 55.7518 41.6272 179.2687 72 G 4.1297 8.0440 107.1676 45.5477 0.0000 174.3668 73 E 4.0586 8.0628 117.1400 57.4640 29.6114 177.1642 74 F 4.8443 8.0453 116.1718 56.9525 39.8455 176.2798 75 A 4.7025 7.6842 123.8232 49.1406 19.2282 174.3581 76 P 4.2667 0.0000 0.0000 63.0798 31.8442 177.5437 77 T 4.3157 8.3398 108.7660 61.9571 69.7449 174.4982 78 R 4.7317 7.6405 119.8190 54.7198 33.8570 174.4437 79 T 4.4699 8.3253 115.7654 63.5327 70.9626 173.7476 80 Y 3.5639 8.5670 122.3097 58.1607 35.4817 169.9576 81 R 3.9790 7.4644 118.6143 55.5048 30.6339 177.6064 *82 G 3.7274 8.5500 111.3637 45.7270 0.0000 171.6522 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 4.19 0.00 3.88 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 5 L 8.16 3.58 0.00 1.66 1.96 1.09 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.91 4.64 0.00 1.88 1.85 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.36 7.81 7 K 7.58 4.65 0.00 1.71 1.76 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.51 7.81 8 G 7.00 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 0.00 0.00 0.00 9 V 8.34 4.24 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 0.84 0.00 0.00 0.95 0.00 0.00 10 F 8.44 4.16 0.00 3.33 3.33 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 11 V 8.10 3.46 1.91 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 0.62 0.00 0.00 0.84 0.00 0.00 12 D 7.62 4.31 0.00 2.74 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.93 4.20 0.00 2.77 2.73 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 14 H 8.16 4.34 0.00 3.34 3.45 0.00 5.52 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.69 4.21 0.00 1.86 1.66 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.11 3.87 0.00 1.81 1.72 0.88 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.27 3.86 0.00 2.03 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 2.69 2.42 0.00 18 K 7.95 3.82 0.00 1.91 1.91 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.50 7.81 19 V 8.05 3.86 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 0.84 0.00 0.00 0.84 0.00 0.00 20 L 8.16 4.70 0.00 1.59 1.63 0.90 0.83 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 21 E 7.68 4.61 0.00 1.81 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 2.22 2.23 0.00 22 L 7.66 4.42 0.00 1.93 1.66 0.94 0.49 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 23 N 7.99 4.48 0.00 2.98 3.21 0.00 0.00 6.16 7.46 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 24 A 7.43 4.47 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 25 K 8.72 3.96 0.00 1.81 2.25 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.27 7.81 26 G 7.97 3.61 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 0.00 0.00 0.00 27 E 8.20 4.90 0.00 1.89 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 28 K 8.39 4.60 0.00 1.78 1.19 0.00 1.87 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.37 7.81 29 R 8.42 3.85 0.00 1.81 1.89 0.00 3.08 0.00 0.00 3.15 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 30 L 7.46 3.30 0.00 1.69 2.02 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.04 4.07 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.16 0.80 0.00 0.00 32 K 8.33 4.45 0.00 1.39 1.13 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.83 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 1.32 7.81 33 T 8.47 4.71 4.26 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 0.00 0.00 0.00 1.16 0.00 0.00 34 W 8.96 5.13 0.00 3.38 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 35 S 9.28 4.68 0.00 4.04 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 0.00 36 R 8.49 4.41 0.00 2.02 2.19 0.00 2.95 0.00 0.00 3.15 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.69 0.00 37 R 7.93 4.72 0.00 2.07 2.15 0.00 3.25 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 38 S 8.12 4.60 0.00 3.72 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 39 T 7.49 4.41 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 1.26 0.00 0.00 40 I 8.24 3.95 2.19 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 1.11 0.63 0.92 0.00 0.00 41 V 8.18 4.34 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 1.00 0.00 0.00 0.91 0.00 0.00 42 P 0.00 4.22 0.00 2.06 1.98 0.00 3.86 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 2.02 2.12 0.00 43 E 8.72 3.77 0.00 2.09 2.01 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 2.19 2.24 0.00 44 M 7.61 4.29 0.00 1.90 2.27 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 45 V 7.40 3.64 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 0.66 0.00 0.00 0.88 0.00 0.00 46 G 7.88 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 0.00 0.00 0.00 0.00 47 H 7.79 4.38 0.00 3.04 3.15 0.00 5.70 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.54 5.05 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 1.30 0.00 0.00 49 I 7.41 3.89 1.80 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.31 0.94 0.00 0.00 50 A 9.02 4.85 1.19 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 51 V 8.13 4.14 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 1.02 0.00 0.00 1.02 0.00 0.00 52 Y 8.19 5.46 0.00 2.68 2.79 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 53 N 8.05 4.82 0.00 2.82 2.74 0.00 0.00 6.36 7.00 0.00 0.00 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 7.82 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 55 K 6.71 4.40 0.00 1.55 1.56 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.25 1.38 7.81 56 Q 7.59 4.56 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.65 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 57 H 8.74 5.08 0.00 3.05 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.66 3.91 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 0.86 0.00 0.00 0.95 0.00 0.00 59 P 0.00 4.67 0.00 2.11 2.12 0.00 3.71 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 2.00 1.98 0.00 60 V 8.39 4.02 2.12 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 0.76 0.00 0.00 0.73 0.00 0.00 61 Y 9.13 3.58 0.00 3.00 2.75 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 62 I 8.77 3.43 1.61 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.54 0.00 0.00 63 T 8.12 4.75 4.54 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 1.34 0.00 0.00 64 E 8.94 3.96 0.00 2.12 2.13 0.00 0.00 0.00 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 2.40 0.00 65 N 7.80 4.49 0.00 2.81 2.96 0.00 0.00 6.99 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 66 M 7.73 4.63 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 67 V 7.26 4.12 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 0.82 0.00 0.00 0.99 0.00 0.00 68 G 8.10 3.76 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 0.00 0.00 0.00 69 H 7.70 4.37 0.00 3.46 3.55 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.60 5.05 0.00 1.90 1.93 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.30 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.69 7.81 71 L 8.16 4.97 0.00 1.72 1.72 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.06 4.06 0.00 1.68 1.47 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 2.23 2.23 0.00 74 F 8.05 4.84 0.00 3.05 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 7.68 4.70 1.23 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 0.00 0.00 76 P 0.00 4.27 0.00 2.17 2.09 0.00 3.77 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 1.99 1.99 0.00 77 T 8.34 4.32 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 1.27 0.00 0.00 78 R 7.64 4.73 0.00 1.78 1.84 0.00 3.19 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 79 T 8.33 4.47 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 1.26 0.00 0.00 80 Y 8.57 3.56 0.00 2.90 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 81 R 7.46 3.98 0.00 1.80 1.84 0.00 3.47 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 *82 G 8.55 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.