NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4844 8.3049 120.3275 55.1214 33.9111 176.5591 2 K 3.9636 9.0375 128.9162 56.9658 33.6242 175.5168 3 A 4.6517 8.9256 123.2695 52.8880 20.3698 179.1209 4 K 4.0464 9.3562 126.3998 59.2856 33.0536 177.5968 5 E 3.9601 8.2299 117.4518 59.0021 29.5817 177.9345 6 L 3.9572 7.5840 120.1516 57.5791 42.1838 176.9311 7 R 4.2568 7.8938 115.7353 55.9526 29.7155 174.9302 8 E 4.6277 8.6132 125.7040 56.8276 35.8959 177.5940 9 K 4.2857 5.7523 127.4314 56.6959 34.1022 175.5305 10 S 4.6164 8.3086 111.7680 57.6164 63.0281 173.3493 11 V 3.8262 7.5766 120.0832 62.4543 31.9000 176.2510 12 E 4.0985 8.8766 127.8015 57.7249 29.8782 177.6514 13 E 3.9200 7.8571 118.8797 60.0952 29.6383 178.1044 14 L 4.0739 7.9674 116.5550 57.7862 42.0255 177.6252 15 N 5.3541 8.1646 117.8880 52.0126 37.1079 174.7954 16 T 4.6433 7.5267 111.8450 62.0073 69.1891 175.0128 17 E 4.0801 8.5173 122.0666 58.8010 29.8182 179.6086 18 L 3.9821 8.0067 118.0031 57.4185 42.0981 177.1289 19 L 4.1259 7.9647 121.3552 55.4614 42.4556 176.0358 20 N 4.1982 8.7956 120.2110 54.1569 36.7904 174.3055 21 L 4.7453 7.9817 115.3785 54.1461 43.8828 177.0006 22 L 4.7157 7.6447 117.1763 54.9696 44.3400 178.2216 23 R 2.5100 7.8947 118.0254 59.2532 29.3859 177.9025 24 E 3.9947 8.1495 118.0010 59.3883 29.2481 179.0626 25 Q 4.0267 8.8475 118.0149 59.1321 28.3462 178.3340 26 F 4.0025 8.3158 119.2096 60.7819 39.2346 177.1692 27 N 4.5848 7.8838 115.0037 56.2942 38.2278 179.4062 28 L 4.4402 7.3219 118.3164 55.1919 40.8337 178.0184 29 R 4.4584 8.5602 116.1180 56.1603 30.4923 176.0954 30 M 4.3050 7.7366 119.6399 54.2655 32.6533 177.0735 31 Q 4.1339 8.4088 123.5477 56.8204 29.5196 177.1409 32 A 3.5501 8.9082 121.9702 52.5135 16.5696 177.9648 33 A 3.6332 7.1889 117.9335 54.0557 16.0983 180.1396 34 S 4.4902 7.5392 114.7236 56.5207 61.6266 172.7964 35 G 4.7390 7.6981 119.8461 45.4569 0.0000 172.6114 36 Q 4.3345 8.1960 120.8087 55.5879 27.4519 175.6526 37 L 4.2547 8.4208 123.9934 54.6621 42.2434 176.3661 38 Q 4.5114 8.4018 113.6316 55.7774 35.7279 174.9560 39 Q 4.4545 7.8690 122.7735 55.8866 29.6974 178.0020 40 S 4.4494 7.5992 112.1170 58.8460 61.0524 174.8682 41 H 4.5560 7.7330 124.7955 55.4992 28.1346 175.1788 42 L 4.6212 7.4432 119.6289 53.1270 42.6373 176.5286 43 L 4.7333 7.5369 129.7503 54.0750 42.3448 178.8169 44 K 4.6715 8.3782 122.1674 56.1387 32.0819 177.0414 45 Q 4.1348 7.9539 118.9964 58.4315 29.7791 178.0192 46 V 3.7533 7.6047 118.9092 66.0459 31.7720 178.1961 47 R 3.9229 7.8860 117.3538 59.3233 30.1144 178.9136 48 R 3.9881 7.7532 117.3774 58.9499 29.7856 177.8018 49 D 4.4240 7.7382 117.0371 56.7337 41.2864 177.6773 50 V 3.6900 7.5105 118.2210 67.6946 32.1959 177.3800 51 A 4.2430 7.8533 120.0112 53.4622 20.7298 175.1100 52 R 3.9563 8.9811 111.9316 58.1035 29.4962 178.8746 53 V 3.6691 7.5435 118.7476 64.5887 32.0172 177.7830 54 K 4.0544 7.7297 120.6719 58.9608 31.8572 176.7161 55 T 4.3787 7.6209 115.9950 63.5609 70.8135 174.8297 56 L 4.2625 8.5952 124.9862 57.3308 40.7173 176.0193 57 L 3.8313 9.0349 119.0824 59.0703 41.9115 178.8060 58 N 4.2029 8.0442 115.9780 56.3714 38.8764 176.2985 59 E 3.9391 8.1816 119.7613 58.6575 29.5417 178.0821 60 K 4.3031 7.9062 116.7766 59.0870 33.1731 177.8755 61 A 4.0449 8.7381 119.9511 52.4057 18.4416 179.9685 62 G 3.9632 8.7516 103.3681 44.7866 0.0000 172.5906 63 A 4.1426 9.2105 127.3097 52.2296 18.3577 178.3432 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 4.48 0.00 2.03 1.15 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 2 K 9.04 3.96 0.00 1.80 1.61 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.56 7.81 3 A 8.93 4.65 1.07 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 0.00 0.00 4 K 9.36 4.05 0.00 1.85 1.81 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.52 7.81 5 E 8.23 3.96 0.00 2.00 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 0.00 2.32 2.31 0.00 6 L 7.58 3.96 0.00 1.82 1.72 0.96 0.77 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 7 R 7.89 4.26 0.00 1.96 1.97 0.00 3.13 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.60 0.00 8 E 8.61 4.63 0.00 1.91 1.70 0.00 0.00 0.00 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 2.43 0.00 9 K 5.75 4.29 0.00 1.70 1.74 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.37 7.81 10 S 8.31 4.62 0.00 3.82 3.78 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 11 V 7.58 3.83 2.08 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 0.92 0.00 0.00 0.93 0.00 0.00 12 E 8.88 4.10 0.00 2.04 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 2.38 2.31 0.00 13 E 7.86 3.92 0.00 1.92 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 2.33 2.36 0.00 14 L 7.97 4.07 0.00 1.68 1.73 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.16 5.35 0.00 2.61 2.98 0.00 0.00 6.85 7.62 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 16 T 7.53 4.64 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 1.27 0.00 0.00 17 E 8.52 4.08 0.00 2.06 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 0.00 2.42 2.31 0.00 18 L 8.01 3.98 0.00 1.68 1.81 0.96 0.94 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 19 L 7.96 4.13 0.00 1.73 1.64 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.80 4.20 0.00 2.82 2.84 0.00 0.00 6.90 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 21 L 7.98 4.75 0.00 1.79 1.63 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.64 4.72 0.00 2.00 2.18 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.89 2.51 0.00 1.32 1.69 0.00 2.96 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.38 0.00 24 E 8.15 3.99 0.00 2.07 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 2.39 2.34 0.00 25 Q 8.85 4.03 0.00 2.28 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.40 0.00 26 F 8.32 4.00 0.00 3.06 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 27 N 7.88 4.58 0.00 2.90 2.90 0.00 0.00 7.11 6.62 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 28 L 7.32 4.44 0.00 1.63 1.70 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.56 4.46 0.00 1.86 1.88 0.00 3.10 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 30 M 7.74 4.31 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 31 Q 8.41 4.13 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.09 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 32 A 8.91 3.55 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 A 7.19 3.63 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 34 S 7.54 4.49 0.00 3.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.70 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.20 4.33 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 37 L 8.42 4.25 0.00 1.56 1.38 0.93 0.76 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 38 Q 8.40 4.51 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.34 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 39 Q 7.87 4.45 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.62 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 40 S 7.60 4.45 0.00 3.84 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.73 4.56 0.00 3.10 3.26 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.44 4.62 0.00 1.65 1.61 0.93 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.54 4.73 0.00 1.64 0.95 0.92 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 44 K 8.38 4.67 0.00 1.71 1.64 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.41 7.81 45 Q 7.95 4.13 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.85 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 46 V 7.60 3.75 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 1.09 0.00 0.00 0.94 0.00 0.00 47 R 7.89 3.92 0.00 1.86 1.96 0.00 3.34 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 48 R 7.75 3.99 0.00 1.99 1.98 0.00 3.09 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 49 D 7.74 4.42 0.00 2.96 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 50 V 7.51 3.69 2.22 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 0.88 0.00 0.00 1.01 0.00 0.00 51 A 7.85 4.24 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 52 R 8.98 3.96 0.00 2.04 1.94 0.00 3.14 0.00 0.00 3.39 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 53 V 7.54 3.67 2.08 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 0.85 0.00 0.00 0.93 0.00 0.00 54 K 7.73 4.05 0.00 2.02 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 55 T 7.62 4.38 4.38 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 1.21 0.00 0.00 56 L 8.60 4.26 0.00 1.87 1.80 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.03 3.83 0.00 1.75 1.68 0.92 0.53 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 58 N 8.04 4.20 0.00 2.87 2.93 0.00 0.00 6.62 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 59 E 8.18 3.94 0.00 1.97 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 0.00 2.30 2.42 0.00 60 K 7.91 4.30 0.00 1.87 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.67 7.81 61 A 8.74 4.04 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 62 G 8.75 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 63 A 9.21 4.14 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