NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2792 8.3001 118.7933 53.0021 34.4284 175.2897 2 A 3.4090 7.8623 119.5979 52.8287 15.2905 176.7766 *3 H 4.6182 8.1743 119.4598 54.7869 31.2262 177.2343 4 K 4.6725 8.0827 126.3641 54.5855 31.7883 179.3448 5 K 4.9432 7.9264 111.7056 56.5072 33.4638 171.8782 6 G 3.8295 8.1362 114.7426 45.4748 0.0000 171.4981 7 L 4.5614 8.2928 122.1819 52.3285 43.1780 178.0594 8 G 3.9876 8.4973 119.1545 44.6791 0.0000 175.7817 9 S 4.5969 7.5831 108.0259 58.3990 62.3541 176.3296 10 T 4.3158 8.2070 119.2403 64.2888 68.9638 175.2148 11 R 4.5657 8.3838 122.1408 56.2915 32.5329 176.6315 12 N 4.7663 8.2834 113.0758 53.3772 38.5679 175.4352 13 G 3.7329 7.2195 106.6763 46.2433 0.0000 173.0951 14 R 4.3023 8.5071 118.6630 54.8391 29.9427 174.7169 15 D 4.3766 7.9966 117.6351 53.7010 43.7817 176.0682 16 S 4.3887 8.7049 122.3648 58.2188 63.6459 173.4570 17 Q 4.2292 8.4862 120.1852 55.0820 29.4130 175.3857 18 A 3.7929 8.3168 123.8466 52.6399 18.5783 176.9256 19 K 4.3078 8.7693 121.4303 55.4040 32.9487 176.9861 20 R 3.6886 7.7817 116.5638 57.2578 27.2231 174.7411 21 L 4.2745 7.2610 116.7993 53.1252 44.1336 175.7269 22 G 3.7593 8.6584 105.6070 44.2587 0.0000 173.4191 23 V 3.8150 7.9497 118.5461 62.8546 31.7401 175.6814 24 K 4.3808 8.7782 124.7391 56.1698 33.5915 176.6308 25 R 4.4799 7.2585 117.3036 54.7306 34.1025 173.9694 26 Y 4.7137 8.4928 119.7059 55.7004 40.1178 174.6102 27 E 4.2768 8.7228 122.3869 58.5965 29.9111 177.4900 28 G 3.9872 9.3571 113.6137 45.5545 0.0000 172.6325 29 Q 4.6248 7.7970 119.0680 53.8810 30.5245 175.6085 30 V 4.1631 8.4584 124.1739 63.4120 32.4017 175.2396 31 V 4.6667 8.9081 118.9863 60.0267 36.6796 174.1806 32 R 4.7471 8.3739 120.1354 54.1843 32.6935 175.8313 33 A 4.1881 8.9268 125.3378 53.5396 18.1734 176.8039 34 G 4.1436 9.2610 112.4767 45.9090 0.0000 174.4534 35 N 4.2466 8.4653 117.1546 54.1298 39.4807 174.4530 36 I 4.5748 8.3697 123.0770 60.3897 39.0920 174.9232 37 L 4.6655 9.1315 126.7968 55.4019 44.9527 176.7009 38 V 4.6706 7.4815 117.2710 61.5188 35.3129 173.0685 39 R 5.0996 8.7405 126.6049 54.4059 32.8353 174.6636 40 Q 4.7862 8.4742 120.3598 55.4032 30.9620 174.8914 41 R 4.1266 9.0438 121.6270 59.0551 31.3744 177.4753 42 G 3.5177 7.3932 108.3278 45.9334 0.0000 173.9901 43 T 4.3108 7.8126 119.0557 62.3442 67.6074 176.1737 44 R 3.8881 7.4317 120.9617 57.0018 30.3456 176.4957 45 F 4.8075 9.0683 115.5757 55.4871 41.4961 175.4870 46 K 4.6098 8.4891 122.8943 53.8077 34.7636 173.8832 47 P 4.5205 0.0000 0.0000 62.8714 31.7362 176.1445 48 G 4.0610 8.5051 113.6889 45.0496 0.0000 173.4159 49 K 3.9065 8.8576 123.1399 57.0999 33.3882 177.0883 50 N 4.1121 9.0676 124.2177 53.5348 34.9986 175.2997 51 V 4.2876 7.2532 116.8982 61.6931 34.9066 175.2386 52 G 3.2154 7.7859 116.4611 45.5799 0.0000 171.6850 53 M 5.1861 8.1513 119.5989 54.4677 34.5192 174.9470 54 G 3.9639 9.6059 116.6327 44.6850 0.0000 173.9907 55 R 3.7165 8.2928 118.1637 58.9278 29.8874 177.8302 56 D 4.7217 7.8359 116.1392 53.2083 39.9924 177.0564 57 F 4.1467 7.8384 115.2994 59.6438 37.2882 175.2018 58 T 4.4932 7.6169 118.4923 63.4451 69.5550 173.6693 59 L 5.5100 8.9557 126.5271 52.7365 43.9718 175.6380 60 F 5.3665 7.8293 116.0532 54.9198 41.8624 173.4146 61 A 4.2816 9.1814 123.0891 52.6733 18.7728 178.1271 62 L 4.6080 8.4415 120.4652 55.2428 43.2934 176.5732 63 V 4.5474 7.4696 109.9946 59.6354 36.4358 174.6883 64 D 4.7818 8.1678 121.6178 53.8677 40.9202 175.9765 65 G 4.1129 8.0429 110.8688 45.5552 0.0000 170.3635 66 V 4.5239 8.1603 119.9172 62.1411 33.0051 176.4784 67 V 4.3884 8.3950 127.5009 62.8953 32.8970 174.5225 68 E 5.1818 9.7119 124.7266 54.7762 32.9779 174.3273 69 F 5.3234 8.8964 119.5996 56.2143 41.6202 175.0785 70 Q 4.6559 9.3886 122.2258 54.6867 32.7761 172.7759 71 D 5.4705 8.9537 125.4597 52.0747 43.7007 176.0343 72 R 4.7329 9.0197 127.5106 56.7266 32.7337 179.3799 73 G 3.9120 7.8523 111.9836 46.4128 0.0000 178.0697 74 R 4.1638 9.1194 124.6823 58.1727 30.0422 176.9534 75 L 4.2245 8.2224 117.2370 54.9146 42.3937 176.3624 76 G 3.7643 8.5350 104.4583 44.4795 0.0000 171.9561 77 R 5.2874 7.9399 116.2365 54.8921 32.8585 175.4398 78 Y 5.6822 9.7887 119.5716 55.1762 42.5220 174.4406 79 V 4.3601 8.2065 121.3888 61.4507 34.1510 174.1133 80 H 5.2802 9.5529 123.9419 53.9165 33.4310 172.5135 81 V 4.7501 8.7634 120.2965 61.0287 33.6185 175.2699 82 R 4.3092 8.9338 126.6442 54.8138 30.4901 175.2905 83 P 4.7465 0.0000 0.0000 62.8980 31.3043 174.6993 84 L 4.6143 7.9492 115.7366 54.9582 43.1295 175.2888 85 A 4.2377 8.2473 121.1900 52.5193 19.2951 176.0647 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 1 M 8.30 4.28 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.12 0.00 2 A 7.86 3.41 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 H 8.17 4.62 0.00 2.95 2.86 0.00 7.18 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.08 4.67 0.00 1.75 1.45 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 0.97 7.81 5 K 7.93 4.94 0.00 1.76 1.62 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.11 0.79 7.81 6 G 8.14 3.83 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 0.00 0.00 0.00 7 L 8.29 4.56 0.00 1.66 1.46 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.50 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 0.00 0.00 0.00 9 S 7.58 4.60 0.00 3.64 3.75 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 10 T 8.21 4.32 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 1.23 0.00 0.00 11 R 8.38 4.57 0.00 1.82 1.90 0.00 3.12 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 12 N 8.28 4.77 0.00 2.71 2.85 0.00 0.00 6.89 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 13 G 7.22 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 14 R 8.51 4.30 0.00 1.88 2.21 0.00 3.27 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.45 0.00 15 D 8.00 4.38 0.00 2.56 2.48 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 16 S 8.70 4.39 0.00 3.91 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 17 Q 8.49 4.23 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 18 A 8.32 3.79 1.28 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 0.00 0.00 19 K 8.77 4.31 0.00 1.76 1.85 0.00 1.92 0.00 0.00 1.92 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.40 7.81 20 R 7.78 3.69 0.00 1.91 1.95 0.00 3.37 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 21 L 7.26 4.27 0.00 1.64 1.64 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.66 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 23 V 7.95 3.82 1.73 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 0.61 0.00 0.00 0.63 0.00 0.00 24 K 8.78 4.38 0.00 1.62 1.73 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 R 7.26 4.48 0.00 1.68 1.78 0.00 3.36 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 26 Y 8.49 4.71 0.00 3.27 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 27 E 8.72 4.28 0.00 2.14 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 2.47 2.76 0.00 28 G 9.36 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 0.00 0.00 0.00 29 Q 7.80 4.62 0.00 2.42 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 30 V 8.46 4.16 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 0.79 0.00 0.00 0.95 0.00 0.00 31 V 8.91 4.67 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 0.89 0.00 0.00 0.95 0.00 0.00 32 R 8.37 4.75 0.00 1.93 1.83 0.00 3.15 0.00 0.00 3.35 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 33 A 8.93 4.19 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 34 G 9.26 4.14 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 0.00 0.00 0.00 35 N 8.47 4.25 0.00 2.86 2.81 0.00 0.00 6.53 7.64 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 36 I 8.37 4.57 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.07 0.89 0.00 0.00 37 L 9.13 4.67 0.00 1.47 1.55 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.48 4.67 1.98 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 0.60 0.00 0.00 0.67 0.00 0.00 39 R 8.74 5.10 0.00 1.85 1.79 0.00 3.38 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 40 Q 8.47 4.79 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.56 0.00 41 R 9.04 4.13 0.00 1.76 2.03 0.00 3.24 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 42 G 7.39 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 4.31 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 44 R 7.43 3.89 0.00 2.19 2.08 0.00 3.21 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 45 F 9.07 4.81 0.00 2.70 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 46 K 8.49 4.61 0.00 0.79 1.41 0.00 1.32 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.27 0.97 7.81 47 P 0.00 4.52 0.00 2.09 1.97 0.00 3.67 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 1.97 1.95 0.00 48 G 8.51 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 0.00 0.00 0.00 49 K 8.86 3.91 0.00 1.80 1.82 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.55 1.61 7.81 50 N 9.07 4.11 0.00 3.03 2.89 0.00 0.00 6.47 7.68 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 51 V 7.25 4.29 2.20 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 0.55 0.00 0.00 0.84 0.00 0.00 52 G 7.79 3.22 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 53 M 8.15 5.19 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 54 G 9.61 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 55 R 8.29 3.72 0.00 1.74 1.95 0.00 3.15 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 56 D 7.84 4.72 0.00 2.88 2.84 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 57 F 7.84 4.15 0.00 3.44 3.23 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 58 T 7.62 4.49 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 1.31 0.00 0.00 59 L 8.96 5.51 0.00 1.57 1.48 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 60 F 7.83 5.37 0.00 3.24 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.18 4.28 1.35 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 62 L 8.44 4.61 0.00 1.54 1.70 0.78 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.47 4.55 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 0.75 0.00 0.00 0.93 0.00 0.00 64 D 8.17 4.78 0.00 2.55 2.65 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 0.00 0.00 0.00 0.00 65 G 8.04 4.11 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 0.00 66 V 8.16 4.52 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 1.04 0.00 0.00 0.96 0.00 0.00 67 V 8.40 4.39 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 0.84 0.00 0.00 1.04 0.00 0.00 68 E 9.71 5.18 0.00 2.05 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 2.35 2.27 0.00 69 F 8.90 5.32 0.00 3.03 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 70 Q 9.39 4.66 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 71 D 8.95 5.47 0.00 2.72 2.56 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 72 R 9.02 4.73 0.00 1.89 1.84 0.00 3.36 0.00 0.00 2.73 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 73 G 7.85 3.91 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 0.00 0.00 0.00 74 R 9.12 4.16 0.00 1.82 2.03 0.00 3.36 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 75 L 8.22 4.22 0.00 1.77 1.86 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.54 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 77 R 7.94 5.29 0.00 1.39 1.85 0.00 2.74 0.00 0.00 2.36 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.31 0.00 78 Y 9.79 5.68 0.00 2.82 2.68 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 79 V 8.21 4.36 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 0.39 0.00 0.00 0.79 0.00 0.00 80 H 9.55 5.28 0.00 2.99 3.12 0.00 5.61 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.76 4.75 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 0.87 0.00 0.00 0.93 0.00 0.00 82 R 8.93 4.31 0.00 1.93 2.07 0.00 2.86 0.00 0.00 3.37 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.59 0.00 83 P 0.00 4.75 0.00 2.20 2.17 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 84 L 7.95 4.61 0.00 1.71 1.64 0.95 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.25 4.24 1.20 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.