NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4891 8.1633 120.2757 55.2974 34.6379 173.0769 2 Q 4.6585 8.5031 118.4208 53.1994 31.1844 172.4876 3 C 5.2581 9.3437 119.1570 53.5861 45.7569 174.6007 4 K 4.3362 8.5144 119.5114 54.0217 30.6900 176.5118 5 T 4.7539 7.4368 122.9788 60.6336 69.4095 173.6666 6 C 4.6813 8.2118 120.1959 55.9543 41.2356 173.5933 7 S 4.6306 9.1711 108.2854 59.1650 69.1513 173.4753 8 F 4.3956 8.2035 120.6823 58.1964 39.4614 173.2996 9 Y 4.2020 8.2671 120.3774 60.4359 38.8309 175.6418 10 T 5.2558 7.4971 110.5076 61.3265 70.3080 173.2603 11 C 4.9187 8.4441 123.0883 54.8163 43.4590 172.7094 12 P 4.2189 0.0000 0.0000 65.0351 32.3057 178.0348 13 N 4.8240 7.7597 122.5009 53.1354 37.9839 173.3039 14 S 4.5653 8.2252 120.6071 58.9829 66.9320 173.6970 15 E 4.4354 8.2598 121.5543 56.0000 31.0511 173.2923 16 T 4.3081 8.3751 122.5723 62.6909 68.1274 174.9904 17 C 4.4306 8.3381 124.6307 56.2733 39.9000 172.5352 18 P 4.5215 0.0000 0.0000 62.5482 32.2280 175.4662 19 D 4.9431 8.3893 116.1346 55.2540 41.0439 178.0695 20 G 3.8893 7.9855 107.3321 46.5655 0.0000 173.6533 21 K 4.3453 7.1949 120.1777 56.9884 34.0231 176.2300 22 N 4.6843 8.3741 114.7927 53.8958 42.3230 174.0014 23 I 4.3247 8.0358 120.2486 60.8879 42.6845 172.1622 24 C 5.1419 8.2229 122.8770 55.4190 41.5489 173.6077 25 V 4.7403 8.0709 117.2593 60.7038 35.2994 172.8402 26 K 4.9113 8.6784 125.4451 55.0580 35.3844 175.4626 27 R 5.9684 8.7954 120.9986 54.1061 33.0127 175.0713 28 S 5.2391 8.7176 116.9804 57.0218 67.8963 172.7350 29 W 5.2469 7.5967 117.3216 55.5793 31.4555 173.9781 30 T 4.5497 8.7295 112.2992 61.6203 69.3798 173.6702 31 A 4.6125 8.2639 123.6802 52.0597 22.9634 176.9020 32 V 4.1793 8.4990 120.2852 60.9311 32.6267 173.2876 33 R 4.5063 8.2001 122.4691 56.5423 32.9532 176.8269 34 G 4.1791 7.7912 104.5102 46.6534 0.0000 172.4885 35 D 4.7738 8.0273 114.6897 52.9931 42.7138 175.4464 36 G 3.8903 7.8744 106.9885 44.9836 0.0000 173.2115 37 P 4.4722 0.0000 0.0000 62.1050 32.9054 174.7145 38 K 4.1494 7.8419 115.0895 58.1126 32.2920 176.8176 39 R 5.1686 7.7979 132.5938 54.4370 30.2838 174.5308 40 E 3.9783 7.4423 124.8596 54.6729 31.0301 175.0165 41 I 4.0486 7.8391 124.2381 58.9131 41.4149 173.7056 42 R 5.1942 9.1014 126.3962 54.8319 34.1126 174.1621 43 R 5.1799 8.2368 115.9673 55.2868 31.6904 173.9691 44 E 4.8300 8.8364 121.5377 54.7953 34.6587 173.1272 45 C 5.0055 8.6799 120.1566 55.7703 45.9965 172.5856 46 A 4.5240 8.6480 125.5916 50.5511 22.5473 175.5121 47 A 4.8999 8.4280 116.4538 52.5712 19.9245 175.9453 48 T 4.6344 7.4478 117.9167 65.7393 72.1926 174.9228 49 C 5.0329 8.1619 109.9594 56.9802 42.7437 171.5025 50 P 4.6243 0.0000 0.0000 61.7348 32.4579 175.8504 51 P 4.4676 0.0000 0.0000 65.5374 31.9399 176.2298 52 S 4.9617 7.4318 111.4257 57.0833 65.9480 172.2188 53 K 4.3963 7.7610 120.1496 56.6446 34.7187 177.2749 54 L 4.3123 7.8632 120.3434 55.5217 42.7523 179.0454 55 G 4.4327 6.9691 104.8275 45.6366 0.0000 172.3735 56 L 5.0049 8.1608 118.0011 52.8502 45.8560 176.2434 57 T 4.5797 8.2760 116.4403 62.2118 70.1585 174.7306 58 V 5.1966 7.8160 126.9531 61.5893 33.7397 175.8101 59 F 5.0304 8.5405 127.3001 57.7883 41.5610 172.0356 60 C 5.4508 8.5837 120.8970 53.6895 41.8047 172.9115 61 C 4.9173 7.9613 116.6049 55.6519 46.5080 172.8082 62 T 4.7904 7.9303 111.7379 59.0960 67.9813 172.9643 63 T 4.5088 7.5486 119.8660 62.5911 72.9309 173.4399 64 D 4.1864 9.0199 122.8143 55.7557 39.1813 177.0059 65 N 3.7904 8.7965 114.3329 54.7166 35.5722 172.7584 66 C 4.7730 7.9512 122.3826 55.8018 44.3991 173.5484 67 N 5.3232 7.9906 135.0000 53.9988 41.5386 174.7211 68 H 4.4131 7.7863 119.6911 55.9038 28.8762 174.8527 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 8.16 4.49 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.58 0.00 2 Q 8.50 4.66 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 3 C 9.34 5.26 0.00 2.87 2.98 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 4 K 8.51 4.34 0.00 1.69 1.77 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.41 7.81 5 T 7.44 4.75 4.19 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 0.00 0.00 0.00 1.28 0.00 0.00 6 C 8.21 4.68 0.00 3.16 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.17 4.63 0.00 3.89 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 8 F 8.20 4.40 0.00 2.97 3.14 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 9 Y 8.27 4.20 0.00 2.76 2.93 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 10 T 7.50 5.26 4.03 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 1.47 0.00 0.00 11 C 8.44 4.92 0.00 2.96 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 12 P 0.00 4.22 0.00 2.17 2.18 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 1.98 1.99 0.00 13 N 7.76 4.82 0.00 2.73 2.65 0.00 0.00 6.68 7.54 0.00 0.00 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 S 8.23 4.57 0.00 3.79 3.85 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 15 E 8.26 4.44 0.00 2.00 1.96 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 2.28 2.34 0.00 16 T 8.38 4.31 4.23 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 1.26 0.00 0.00 17 C 8.34 4.43 0.00 2.93 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 18 P 0.00 4.52 0.00 2.21 2.21 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 19 D 8.39 4.94 0.00 2.68 2.72 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 0.00 0.00 0.00 20 G 7.99 3.89 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 0.00 0.00 0.00 21 K 7.19 4.35 0.00 1.89 1.75 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.58 7.81 22 N 8.37 4.68 0.00 2.57 2.72 0.00 0.00 6.60 7.45 0.00 0.00 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 I 8.04 4.32 1.94 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 1.23 0.45 0.96 0.00 0.00 24 C 8.22 5.14 0.00 2.82 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 25 V 8.07 4.74 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 0.65 0.00 0.00 1.01 0.00 0.00 26 K 8.68 4.91 0.00 1.90 1.91 0.00 1.30 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.53 7.81 27 R 8.80 5.97 0.00 2.01 1.99 0.00 3.26 0.00 0.00 3.33 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 28 S 8.72 5.24 0.00 3.74 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.60 5.25 0.00 3.38 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 30 T 8.73 4.55 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 1.20 0.00 0.00 31 A 8.26 4.61 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.50 4.18 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 0.84 0.00 0.00 0.92 0.00 0.00 33 R 8.20 4.51 0.00 1.81 1.90 0.00 3.38 0.00 0.00 3.27 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 34 G 7.79 4.18 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 0.00 0.00 0.00 35 D 8.03 4.77 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.87 3.89 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 0.00 0.00 0.00 37 P 0.00 4.47 0.00 2.00 1.96 0.00 3.71 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 1.99 1.79 0.00 38 K 7.84 4.15 0.00 1.68 1.71 0.00 1.39 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.41 7.81 39 R 7.80 5.17 0.00 1.68 1.73 0.00 3.08 0.00 0.00 3.89 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 40 E 7.44 3.98 0.00 1.36 1.74 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 1.47 2.22 0.00 41 I 7.84 4.05 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.24 0.93 0.00 0.00 42 R 9.10 5.19 0.00 2.19 2.04 0.00 3.23 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 43 R 8.24 5.18 0.00 1.80 1.86 0.00 3.24 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 44 E 8.84 4.83 0.00 1.84 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 0.00 2.23 2.25 0.00 45 C 8.68 5.01 0.00 2.96 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 46 A 8.65 4.52 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 47 A 8.43 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 7.45 4.63 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 49 C 8.16 5.03 0.00 2.91 2.99 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 50 P 0.00 4.62 0.00 2.19 2.05 0.00 3.77 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 2.00 1.96 0.00 51 P 0.00 4.47 0.00 2.26 2.35 0.00 3.74 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 2.08 1.99 0.00 52 S 7.43 4.96 0.00 3.85 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 53 K 7.76 4.40 0.00 1.65 1.58 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.36 7.81 54 L 7.86 4.31 0.00 1.58 1.64 0.84 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 55 G 6.97 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.16 5.00 0.00 1.49 1.66 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.28 4.58 4.33 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 1.27 0.00 0.00 58 V 7.82 5.20 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 0.88 0.00 0.00 0.99 0.00 0.00 59 F 8.54 5.03 0.00 3.07 2.93 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 60 C 8.58 5.45 0.00 2.92 2.99 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 61 C 7.96 4.92 0.00 2.68 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 62 T 7.93 4.79 4.23 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 1.20 0.00 0.00 63 T 7.55 4.51 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 1.22 0.00 0.00 64 D 9.02 4.19 0.00 2.77 2.73 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 65 N 8.80 3.79 0.00 2.80 2.93 0.00 0.00 6.77 8.17 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 66 C 7.95 4.77 0.00 2.88 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 67 N 7.99 5.32 0.00 2.65 2.88 0.00 0.00 6.72 6.27 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 68 H 7.79 4.41 0.00 3.44 3.47 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00