NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9754 8.3549 109.7351 45.4177 0.0000 173.1503 0 S 4.6384 8.4279 118.6274 54.7794 67.4572 172.7288 1 S 3.7799 8.7518 115.8125 56.9203 63.8086 177.7404 2 G 3.4180 5.9480 107.5188 45.4420 0.0000 169.5551 3 V 4.9901 8.1399 120.4149 61.4013 34.0581 176.5844 4 R 4.6776 9.6790 127.0624 54.6674 32.6835 175.2548 5 L 5.5006 7.7312 120.5120 52.9108 45.2081 175.8751 6 W 4.9542 9.2881 121.1191 54.8341 33.2309 176.2560 7 A 4.3458 8.8891 123.5957 54.4950 19.3349 177.4879 8 T 4.8976 7.7756 103.5661 58.9453 72.5335 174.9503 9 R 3.7320 8.6653 121.0975 59.6739 30.0974 178.3115 10 Q 3.8484 8.0627 117.1579 59.0250 28.4893 178.7139 11 A 4.0188 7.5676 120.5927 55.1397 18.7074 179.1817 12 M 2.5500 7.4056 116.3801 58.1443 32.1154 178.4636 13 L 3.7734 8.2033 119.6522 57.6043 41.4808 179.7256 14 G 3.7560 7.7886 104.8439 46.8324 0.0000 174.0198 15 Q 4.6208 7.5909 117.3078 55.1900 30.4772 177.7009 16 V 3.4125 7.1830 117.7590 64.5131 31.5564 178.2835 17 H 4.1037 8.1984 117.0019 58.5707 28.5833 175.8677 18 E 4.2319 8.0333 116.4766 56.6521 29.7203 176.3150 19 V 3.9136 7.2476 120.0483 60.8808 32.3801 174.0845 20 P 4.6364 0.0000 0.0000 61.7114 32.2912 175.5301 21 E 4.1868 8.5918 119.5702 58.1487 29.7996 178.5587 22 G 4.0782 9.4197 111.3526 45.0176 0.0000 173.4932 23 W 4.5530 7.9746 120.3976 56.0341 30.7634 175.9931 24 L 4.9892 8.9847 123.8895 54.6368 43.1011 175.9906 25 I 5.4119 9.1810 122.4158 59.7976 40.8550 174.0553 26 F 5.4021 9.8228 130.1807 56.3675 42.2848 173.9868 27 V 4.6757 8.1364 126.2545 61.1025 32.5346 176.3061 28 A 3.9459 8.8066 132.1713 55.1306 18.7750 179.0853 29 E 3.9569 8.1898 116.0128 59.3024 29.6489 177.6758 30 Q 4.3595 7.9418 113.4373 54.8803 29.3666 174.9742 31 E 3.6803 7.1720 115.3062 57.5801 27.8712 174.1102 32 E 4.6662 7.4546 115.6562 54.4496 32.9034 175.5966 33 L 5.3866 8.0037 123.4896 53.6988 45.4869 174.6815 34 Y 5.4992 9.4246 122.4889 56.3505 43.1749 174.1716 35 V 4.9913 9.0079 120.3535 59.8329 34.4647 175.0351 36 R 4.5146 9.3316 125.9028 56.6661 31.1863 175.6861 37 V 4.7650 8.6606 118.6843 58.9336 36.5304 174.3957 38 Q 4.1694 8.7957 121.3219 57.3540 28.8001 175.6055 39 N 4.1870 9.0081 123.9811 52.7221 38.0333 174.0537 40 G 3.9490 6.5420 103.8219 45.8812 0.0000 171.9255 41 F 5.3791 7.5378 113.0802 55.4521 40.9223 173.3665 42 R 4.7315 9.0324 121.5725 54.0736 32.7115 175.3421 43 K 4.4911 8.9377 125.7150 56.5141 33.1090 176.0101 44 V 4.1076 8.5596 128.0549 61.8264 32.4693 175.5866 45 Q 4.1137 8.7387 127.5113 55.8025 29.0084 175.4128 46 L 4.7679 8.3044 122.0429 52.9678 44.8640 175.0724 47 E 4.5877 8.2111 119.1038 54.0800 32.0895 175.7678 48 A 4.1647 8.1921 122.1894 51.9935 18.9085 177.3849 49 R 3.9957 8.3762 120.4213 56.6893 30.6639 176.1514 50 T 4.4425 8.2809 122.2291 61.3567 69.7925 173.0856 51 P 4.5129 0.0000 0.0000 62.1906 32.2045 176.0325 52 L 4.2220 8.1238 119.2285 53.4281 42.2530 175.5016 53 P 4.2267 0.0000 0.0000 63.7030 31.5194 177.1398 54 R 4.1118 8.5667 117.9358 56.7113 29.2312 175.0235 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 G 8.35 3.98 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 0.00 0.00 0.00 0 S 8.43 4.64 0.00 3.84 3.60 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 1 S 8.75 3.78 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.95 3.42 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 0.00 3 V 8.14 4.99 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 0.97 0.00 0.00 0.94 0.00 0.00 4 R 9.68 4.68 0.00 1.90 1.11 0.00 3.01 0.00 0.00 2.75 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 5 L 7.73 5.50 0.00 1.38 1.65 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 6 W 9.29 4.95 0.00 3.28 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 7 A 8.89 4.35 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 4.90 4.25 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 1.30 0.00 0.00 9 R 8.67 3.73 0.00 1.87 1.93 0.00 3.20 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 10 Q 8.06 3.85 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.36 0.00 11 A 7.57 4.02 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 12 M 7.41 2.55 0.00 1.60 1.46 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.81 0.00 13 L 8.20 3.77 0.00 1.67 1.58 0.86 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.79 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 15 Q 7.59 4.62 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 16 V 7.18 3.41 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.47 0.00 0.00 17 H 8.20 4.10 0.00 3.09 3.42 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.03 4.23 0.00 2.14 1.97 0.00 0.00 0.00 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 2.24 0.00 19 V 7.25 3.91 2.19 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 0.85 0.00 0.00 1.09 0.00 0.00 20 P 0.00 4.64 0.00 2.58 2.08 0.00 2.84 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 21 E 8.59 4.19 0.00 2.12 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 2.47 2.38 0.00 22 G 9.42 4.08 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 0.00 0.00 0.00 23 W 7.97 4.55 0.00 3.52 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 24 L 8.98 4.99 0.00 1.75 1.74 0.95 1.06 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 25 I 9.18 5.41 2.07 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.12 0.92 0.00 0.00 26 F 9.82 5.40 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.14 4.68 2.04 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 0.93 0.00 0.00 0.98 0.00 0.00 28 A 8.81 3.95 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.19 3.96 0.00 2.14 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 0.00 2.32 2.29 0.00 30 Q 7.94 4.36 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 31 E 7.17 3.68 0.00 2.15 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 0.00 2.43 2.46 0.00 32 E 7.45 4.67 0.00 1.85 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 2.10 2.36 0.00 33 L 8.00 5.39 0.00 1.89 1.47 1.21 0.90 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 34 Y 9.42 5.50 0.00 2.90 3.12 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 35 V 9.01 4.99 2.19 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 1.03 0.00 0.00 1.03 0.00 0.00 36 R 9.33 4.51 0.00 2.08 2.19 0.00 3.42 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.76 0.00 37 V 8.66 4.76 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 0.77 0.00 0.00 0.97 0.00 0.00 38 Q 8.80 4.17 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 39 N 9.01 4.19 0.00 2.83 2.82 0.00 0.00 7.07 7.98 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 40 G 6.54 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 41 F 7.54 5.38 0.00 3.19 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 9.03 4.73 0.00 1.82 1.90 0.00 3.15 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 K 8.94 4.49 0.00 1.98 1.76 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 0.91 7.81 44 V 8.56 4.11 2.19 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 0.82 0.00 0.00 0.99 0.00 0.00 45 Q 8.74 4.11 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 46 L 8.30 4.77 0.00 1.59 1.56 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.21 4.59 0.00 1.93 1.88 0.00 0.00 0.00 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 2.27 0.00 48 A 8.19 4.16 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 49 R 8.38 4.00 0.00 1.81 1.87 0.00 3.25 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 50 T 8.28 4.44 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 51 P 0.00 4.51 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.66 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 52 L 8.12 4.22 0.00 1.66 1.64 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.23 0.00 2.17 2.07 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 54 R 8.57 4.11 0.00 1.85 1.75 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.00