NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5250 8.3049 120.3343 55.1738 33.4164 174.7408 2 K 4.3980 8.5355 122.6844 54.3541 34.1799 174.8287 3 K 4.6293 9.0450 121.7468 56.7080 34.6297 175.2842 4 Y 4.8903 8.9965 119.9739 56.3925 41.9536 174.4588 5 T 5.0768 8.9846 117.1599 60.1784 70.9697 172.5201 6 C 3.3517 8.9769 129.4495 59.0281 31.9289 173.9651 7 T 3.9888 8.3580 117.1218 63.2720 68.4235 176.0138 8 V 3.8748 7.7243 122.0658 64.6742 31.9846 175.9404 9 C 4.6782 8.1083 110.6584 57.0606 30.9721 174.6794 10 G 3.9383 8.5211 108.8801 44.6180 0.0000 173.1067 11 Y 4.2229 7.9438 121.2108 58.3901 39.9483 174.8564 12 I 4.7439 7.4569 126.2197 59.5301 39.3215 174.4375 13 Y 4.3276 9.3747 130.2063 57.1421 40.1293 173.4533 14 N 4.7433 7.8953 125.5628 51.0471 40.6958 173.3982 15 P 4.1474 0.0000 0.0000 65.4414 31.7757 178.5926 16 E 3.4606 8.1206 116.9384 58.5499 29.5569 177.4898 17 D 4.5181 7.9525 117.0715 53.5660 42.4234 178.0857 18 G 4.0729 7.8464 107.2785 45.3074 0.0000 173.2978 19 D 4.9697 8.6990 111.7262 52.1215 41.7522 175.0829 20 P 4.4574 0.0000 0.0000 65.3086 32.1307 178.8946 21 D 4.4919 8.2714 116.8969 56.6491 40.8429 176.6253 22 N 4.9014 8.2482 115.0900 53.0034 39.0190 175.2736 23 G 3.7715 8.1945 104.7739 45.9843 0.0000 174.6391 24 V 4.0390 7.6046 120.5828 60.6312 31.0474 175.1925 25 N 4.7809 8.3486 125.0464 51.9632 39.2395 173.1690 26 P 4.2113 0.0000 0.0000 64.8942 31.7270 176.8788 27 G 3.9254 9.7017 111.8158 45.4339 0.0000 173.2423 28 T 4.2462 7.2669 116.8905 62.1089 69.2280 174.4583 29 D 4.5732 8.4862 126.3979 53.7664 42.5044 176.3966 30 F 3.4800 9.0539 127.8274 60.9861 39.3318 177.4950 31 K 3.7765 7.8863 117.9007 59.4834 32.3280 177.1507 32 D 4.4567 7.5051 117.1473 54.3959 41.2532 176.8224 33 I 3.3569 6.7756 121.1057 60.1299 37.5031 174.0995 34 P 4.0314 0.0000 0.0000 63.3541 31.4368 176.6387 35 D 4.5443 8.6815 121.5278 55.6027 40.6674 176.4007 36 D 4.6726 7.7537 117.9644 52.8385 40.3461 176.6392 37 W 4.1668 8.1504 131.0789 57.5966 31.1493 175.1854 38 V 4.1913 7.0020 116.8179 58.5910 34.6564 174.9386 39 C 3.5478 8.6415 121.6605 59.2035 31.5305 173.0798 40 P 3.9782 0.0000 0.0000 64.9945 31.2186 177.3340 41 L 4.3072 7.4594 116.7874 55.8628 42.3066 176.8357 42 C 4.6065 7.7121 109.0174 57.0116 30.5733 174.7463 43 G 3.7620 8.3934 108.5813 45.4342 0.0000 173.9997 44 A 4.0849 7.5757 123.1959 51.6992 19.2349 177.9097 45 G 4.1618 8.4728 110.4592 44.7513 0.0000 174.8261 46 K 4.1716 8.7066 118.4642 59.1939 32.0776 179.1611 47 D 4.6441 8.2836 116.8855 55.4631 39.6732 176.7138 48 Q 4.4902 8.6538 118.6908 56.0223 29.1006 175.0728 49 F 5.2453 8.4082 117.4311 56.7166 41.0414 174.8102 50 E 4.8136 8.9520 120.2113 54.4748 33.3699 173.9724 51 E 3.1279 8.4502 127.0052 55.8282 30.3255 176.4229 52 V 3.5989 8.0773 127.5660 63.5702 32.4758 175.8256 53 E 4.0665 8.6608 125.5197 56.9653 29.1798 174.2249 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 4.52 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 2 K 8.54 4.40 0.00 1.92 1.66 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.61 7.81 3 K 9.05 4.63 0.00 1.67 1.70 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.45 7.81 4 Y 9.00 4.89 0.00 2.72 2.52 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 5 T 8.98 5.08 4.20 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 1.21 0.00 0.00 6 C 8.98 3.35 0.00 2.33 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 7 T 8.36 3.99 4.21 0.00 0.00 0.00 0.00 0.00 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 8 V 7.72 3.87 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 0.82 0.00 0.00 0.92 0.00 0.00 9 C 8.11 4.68 0.00 3.07 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 10 G 8.52 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 11 Y 7.94 4.22 0.00 3.16 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 12 I 7.46 4.74 1.67 0.00 0.00 0.80 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 0.83 0.82 0.00 0.00 13 Y 9.37 4.33 0.00 3.70 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 14 N 7.90 4.74 0.00 2.61 2.43 0.00 0.00 7.19 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 15 P 0.00 4.15 0.00 2.23 2.36 0.00 3.58 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 16 E 8.12 3.46 0.00 1.94 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 2.44 2.39 0.00 17 D 7.95 4.52 0.00 2.67 2.70 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 0.00 0.00 0.00 18 G 7.85 4.07 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 0.00 19 D 8.70 4.97 0.00 3.15 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 20 P 0.00 4.46 0.00 2.26 2.12 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 21 D 8.27 4.49 0.00 2.74 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 22 N 8.25 4.90 0.00 3.13 2.99 0.00 0.00 6.94 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 23 G 8.19 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 24 V 7.60 4.04 2.26 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 0.79 0.00 0.00 0.58 0.00 0.00 25 N 8.35 4.78 0.00 2.87 2.72 0.00 0.00 7.01 8.03 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 26 P 0.00 4.21 0.00 2.03 2.27 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 27 G 9.70 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 0.00 0.00 0.00 0.00 28 T 7.27 4.25 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 1.05 0.00 0.00 29 D 8.49 4.57 0.00 2.72 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 30 F 9.05 3.48 0.00 2.66 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.89 3.78 0.00 1.82 1.89 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.40 7.81 32 D 7.51 4.46 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 33 I 6.78 3.36 0.97 0.00 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.11 -0.08 0.00 0.00 34 P 0.00 4.03 0.00 2.14 1.98 0.00 3.37 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 2.05 2.06 0.00 35 D 8.68 4.54 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.75 4.67 0.00 2.77 2.77 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 37 W 8.15 4.17 0.00 3.07 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 38 V 7.00 4.19 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 0.73 0.00 0.00 0.66 0.00 0.00 39 C 8.64 3.55 0.00 3.09 2.83 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 40 P 0.00 3.98 0.00 1.78 1.98 0.00 2.43 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.11 0.00 41 L 7.46 4.31 0.00 1.60 1.71 1.12 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.71 4.61 0.00 2.99 2.94 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 43 G 8.39 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 44 A 7.58 4.08 1.31 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 0.00 0.00 0.00 45 G 8.47 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 0.00 0.00 0.00 46 K 8.71 4.17 0.00 1.84 1.86 0.00 1.54 0.00 0.00 1.76 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.66 7.81 47 D 8.28 4.64 0.00 2.87 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 48 Q 8.65 4.49 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 49 F 8.41 5.25 0.00 3.20 2.97 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 0.00 0.00 0.00 50 E 8.95 4.81 0.00 2.05 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.22 0.00 51 E 8.45 3.13 0.00 1.50 1.56 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 1.95 1.56 0.00 52 V 8.08 3.60 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 0.72 0.00 0.00 0.84 0.00 0.00 53 E 8.66 4.07 0.00 2.11 1.92 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 2.16 2.23 0.00