NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.5478 8.0433 122.7604 54.8547 44.0572 175.1010 2 K 5.0783 8.8015 123.8825 54.4449 35.5822 173.2019 3 C 5.3428 9.8034 122.2636 54.9838 44.7922 173.3013 4 N 5.1914 9.4030 120.3754 53.5951 39.0911 175.0652 5 K 4.3549 8.5519 121.7354 54.7048 34.1043 176.5023 6 L 3.7845 8.5764 122.3533 58.2459 41.8188 177.4542 7 V 4.0808 7.6927 122.2174 60.4683 30.7330 174.2104 8 P 4.3206 0.0000 0.0000 64.6273 31.0693 177.5365 9 L 3.9084 7.5952 118.3098 56.5871 41.9468 176.5665 10 F 5.3673 8.1385 117.3353 55.9009 42.5626 173.8900 11 Y 5.4858 8.0794 117.7794 55.9571 41.5187 173.5202 12 K 4.6622 9.0742 119.4103 55.0013 36.3973 174.8427 13 T 4.8481 8.4328 121.7285 62.7239 69.2722 175.5383 14 C 4.5833 9.2518 125.6186 56.4318 35.4867 172.3909 15 P 4.5018 0.0000 0.0000 61.4598 32.2743 175.2125 16 A 4.1137 8.2083 121.6537 53.7944 18.5514 177.7765 17 G 3.9366 9.1771 110.7084 44.7364 0.0000 173.4284 18 K 4.5874 7.5087 118.0168 55.0861 32.6779 175.8153 19 N 5.1268 8.4972 124.6395 52.0830 39.8241 174.4836 20 L 4.8048 7.7723 117.7563 53.9539 46.2776 173.8427 21 C 5.7427 9.5618 122.5005 55.7500 38.0821 172.3085 22 Y 5.5960 8.3869 118.2118 55.9483 41.8628 173.7083 23 K 4.7005 9.2890 118.6831 54.7884 36.6220 174.9480 24 M 4.9507 8.9016 123.9492 53.7447 34.7498 174.3137 25 F 5.0436 9.3155 124.6283 55.9256 42.9569 174.1589 26 M 4.7472 8.4926 121.9165 53.8477 33.1173 176.6809 27 V 3.6308 8.7011 125.0679 66.2399 31.4823 177.5259 28 A 4.1838 8.2063 121.6751 54.7651 18.8874 177.6172 29 T 4.6830 7.5360 104.6260 59.7979 68.3376 172.0811 30 P 4.7732 0.0000 0.0000 63.5786 32.6900 177.7305 31 K 4.0508 8.2831 120.9866 59.4506 31.9969 176.6837 32 V 4.6866 7.3896 108.4090 58.5336 35.6134 173.1882 33 P 3.6761 0.0000 0.0000 63.1554 31.4257 176.5773 34 V 4.1789 7.9045 112.8789 61.3108 32.4061 175.8073 35 K 4.5008 7.4113 120.2488 55.7221 35.3257 174.1024 36 R 4.3632 8.1779 124.0523 54.3011 34.5773 175.7401 37 G 3.7686 6.5002 107.0234 46.3369 0.0000 171.1181 38 C 5.1297 8.1872 116.6477 56.3925 40.2582 172.3903 39 I 4.3183 8.1977 120.3237 60.7838 41.1057 174.9006 40 D 4.4632 8.7516 122.5850 54.8423 40.1043 177.0892 41 V 4.3644 7.2600 110.4133 58.7566 34.8739 175.6163 42 C 4.3703 8.4521 122.0920 54.7824 43.4970 171.7657 43 P 4.0489 0.0000 0.0000 62.1806 31.2963 176.2755 44 K 4.0454 8.1776 123.2687 56.4411 32.7120 176.9814 45 S 4.8120 8.5433 122.2520 58.3811 63.5760 173.3152 46 S 4.6978 8.9438 115.8994 56.8534 65.8787 174.0479 47 L 3.7782 8.8184 120.7695 58.0937 41.8098 178.1164 48 L 4.6381 7.9148 114.9907 54.1769 42.9657 175.3526 49 V 4.7882 7.5638 119.5538 60.9181 34.6871 174.2365 50 K 4.9786 9.1610 127.1675 54.8004 35.3629 174.6269 51 Y 5.3013 8.8926 122.0579 56.2521 40.6842 175.3791 52 V 4.5413 9.0017 122.9275 61.4606 34.1688 173.4778 53 C 5.9003 8.9571 125.1744 55.5364 38.8923 172.2095 54 C 5.1474 9.2153 116.2534 53.7688 45.2229 173.4559 55 N 5.1212 8.5196 115.7697 53.2010 37.5916 174.3370 56 T 4.6093 7.5984 113.7948 62.2397 71.8784 173.5919 57 D 4.6637 8.8234 123.7969 56.2165 40.9928 177.0406 58 R 3.8027 9.0293 125.2165 57.2620 28.1937 174.9536 59 C 4.4900 8.2178 111.6829 56.3544 42.5228 173.2327 60 N 4.5512 7.9424 122.9013 52.9995 37.1407 174.5239 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 L 8.04 4.55 0.00 1.77 1.63 0.98 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.80 5.08 0.00 1.71 1.80 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.55 7.81 3 C 9.80 5.34 0.00 2.87 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 4 N 9.40 5.19 0.00 2.65 2.76 0.00 0.00 6.93 7.31 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 5 K 8.55 4.35 0.00 1.74 1.80 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.60 7.81 6 L 8.58 3.78 0.00 1.56 1.75 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.69 4.08 2.39 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 1.10 0.00 0.00 1.02 0.00 0.00 8 P 0.00 4.32 0.00 2.17 2.15 0.00 3.80 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 1.95 1.98 0.00 9 L 7.60 3.91 0.00 1.12 0.46 0.78 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 10 F 8.14 5.37 0.00 2.96 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 11 Y 8.08 5.49 0.00 3.08 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 12 K 9.07 4.66 0.00 1.80 1.65 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.40 7.81 13 T 8.43 4.85 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 1.29 0.00 0.00 14 C 9.25 4.58 0.00 2.83 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 15 P 0.00 4.50 0.00 2.23 2.21 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 16 A 8.21 4.11 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 17 G 9.18 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 7.51 4.59 0.00 1.72 1.87 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.38 7.81 19 N 8.50 5.13 0.00 2.66 2.79 0.00 0.00 6.86 7.85 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 20 L 7.77 4.80 0.00 1.76 1.70 1.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 21 C 9.56 5.74 0.00 3.00 2.95 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 22 Y 8.39 5.60 0.00 3.22 3.07 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 0.00 0.00 0.00 23 K 9.29 4.70 0.00 1.80 1.45 0.00 1.54 0.00 0.00 1.47 0.00 0.00 2.88 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.21 1.33 7.81 24 M 8.90 4.95 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.22 0.00 25 F 9.32 5.04 0.00 3.05 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 26 M 8.49 4.75 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.44 0.00 27 V 8.70 3.63 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 0.71 0.00 0.00 0.96 0.00 0.00 28 A 8.21 4.18 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 0.00 0.00 0.00 0.00 0.00 29 T 7.54 4.68 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 1.22 0.00 0.00 30 P 0.00 4.77 0.00 2.18 2.40 0.00 3.82 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 1.99 2.00 0.00 31 K 8.28 4.05 0.00 1.75 1.95 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.59 7.81 32 V 7.39 4.69 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 0.83 0.00 0.00 0.92 0.00 0.00 33 P 0.00 3.68 0.00 1.74 0.95 0.00 3.62 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 34 V 7.90 4.18 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 0.61 0.00 0.00 0.91 0.00 0.00 35 K 7.41 4.50 0.00 1.83 1.73 0.00 1.81 0.00 0.00 2.05 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.50 7.81 36 R 8.18 4.36 0.00 1.42 1.61 0.00 3.49 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.47 0.00 37 G 6.50 3.77 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 0.00 0.00 0.00 38 C 8.19 5.13 0.00 3.04 3.08 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 0.00 0.00 0.00 0.00 39 I 8.20 4.32 1.98 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.03 1.02 0.00 0.00 40 D 8.75 4.46 0.00 2.81 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 41 V 7.26 4.36 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 0.70 0.00 0.00 0.83 0.00 0.00 42 C 8.45 4.37 0.00 2.91 2.96 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 43 P 0.00 4.05 0.00 0.49 1.14 0.00 3.18 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.56 0.00 44 K 8.18 4.05 0.00 1.65 1.69 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.55 7.81 45 S 8.54 4.81 0.00 4.00 3.87 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 46 S 8.94 4.70 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.82 3.78 0.00 1.64 1.76 0.93 0.87 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 48 L 7.91 4.64 0.00 1.72 1.64 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.56 4.79 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 0.68 0.00 0.00 0.93 0.00 0.00 50 K 9.16 4.98 0.00 1.69 1.68 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.49 7.81 51 Y 8.89 5.30 0.00 2.91 2.92 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 52 V 9.00 4.54 2.30 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 1.09 0.00 0.00 1.11 0.00 0.00 53 C 8.96 5.90 0.00 2.92 3.01 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 54 C 9.22 5.15 0.00 2.98 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 55 N 8.52 5.12 0.00 2.93 2.90 0.00 0.00 5.87 7.71 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 56 T 7.60 4.61 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 1.20 0.00 0.00 57 D 8.82 4.66 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.03 3.80 0.00 1.76 1.97 0.00 2.21 0.00 0.00 2.85 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.32 0.00 59 C 8.22 4.49 0.00 3.11 3.26 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 0.00 60 N 7.94 4.55 0.00 2.79 2.81 0.00 0.00 5.93 7.56 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