NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.3046 8.2993 121.7886 55.8752 34.0930 175.6062 3 S 4.6246 7.5812 110.1219 55.5580 66.1361 172.3366 4 L 4.1097 8.8288 122.0274 57.3955 42.4973 178.8044 5 G 4.2716 7.6773 104.1527 43.8344 0.0000 171.3417 6 R 4.5837 8.4126 117.9855 54.2776 32.4681 175.2921 7 H 4.8104 8.6886 121.2179 54.3263 31.9928 172.1938 8 L 4.3923 8.6631 127.3238 53.2874 42.5854 176.2348 9 V 4.1020 8.3188 123.6971 61.1354 31.9780 174.2965 10 A 4.8344 8.3376 129.7982 50.1763 21.4320 174.9153 11 E 4.4457 8.7376 120.3816 54.4489 31.4269 175.5868 12 F 4.7487 8.5402 122.8299 55.8752 40.6825 174.7067 13 Y 4.8204 8.2404 122.7524 56.9665 40.9628 175.0788 14 E 3.7583 8.7440 119.2170 57.7910 26.8824 173.6888 15 C 4.4097 7.5612 115.2550 58.4092 30.4654 174.1339 16 D 4.4845 8.3874 119.3446 54.2108 40.9468 176.4210 17 R 3.9665 8.6093 127.7230 59.3647 29.8833 178.8461 18 E 3.9987 8.0527 117.4829 59.3913 29.6122 179.2113 19 V 3.7572 7.9602 117.8605 65.9087 31.4635 177.9514 20 L 4.1331 7.9536 117.9863 56.7407 41.3856 177.7802 21 D 5.1790 7.6094 116.3057 53.0506 42.3626 175.5540 22 N 4.8199 7.7139 118.4494 50.8111 39.0355 175.1837 23 V 3.7118 8.2446 127.0017 64.7717 31.4031 178.2383 24 Q 3.8479 8.0109 118.1600 58.4497 28.6442 177.9690 25 L 3.8361 8.6435 121.7002 58.2697 42.1396 178.8277 26 I 3.6278 7.6666 119.6920 64.5661 37.0490 177.9379 27 E 2.5400 7.4395 119.6983 58.5921 29.1720 178.8629 28 Q 3.8305 7.6424 117.9381 59.0191 28.8260 178.6476 29 E 3.9453 8.3066 119.6468 59.8187 29.6750 179.3014 30 M 4.1353 8.3783 119.0433 58.5195 32.0169 179.0967 31 K 4.1110 8.0995 118.5948 59.4269 32.1916 179.2759 32 Q 4.0443 8.3869 119.9503 59.0027 29.0078 177.8784 33 A 3.9714 8.7815 122.0696 55.2535 18.1458 179.4807 34 A 3.9738 7.7048 117.8613 55.3460 18.6721 178.9772 35 Y 4.2158 8.0539 118.0155 61.0902 38.7449 177.9707 36 E 3.7960 8.8114 118.7676 59.4210 29.6358 179.1391 37 S 4.3106 7.8533 112.5568 59.4254 63.4913 175.2655 38 G 3.8113 8.0884 110.6624 44.9335 0.0000 173.7328 39 A 4.2581 7.2292 122.2351 52.1691 19.4002 176.6151 40 T 4.6362 8.1447 116.2500 62.0317 70.5923 174.3560 41 I 4.3826 8.3959 127.4780 61.4373 37.6478 175.6948 42 V 4.0104 9.1365 127.9389 65.0056 32.1599 175.4487 43 T 4.7122 7.5811 112.4913 61.6121 70.9194 171.4507 44 S 5.0601 8.3214 117.5692 57.2915 66.2178 173.5171 45 T 4.6280 8.6400 116.9080 60.4980 70.3224 172.3178 46 F 5.3249 9.0232 126.7506 55.9941 42.1833 174.0774 47 H 5.0077 9.6154 121.8428 54.3130 33.7494 171.8706 48 R 5.0323 8.0384 119.4258 54.5245 31.5759 175.2635 49 F 4.7732 9.3354 121.8423 56.1912 41.0604 174.8033 50 L 4.8910 8.3562 120.8897 52.4590 44.7713 174.7761 51 P 4.2391 0.0000 0.0000 64.6928 31.4446 175.3470 52 Y 4.7971 7.1165 114.8276 56.7272 40.2988 172.7112 53 G 4.3179 8.7666 108.5675 43.9958 0.0000 173.3181 54 V 5.1390 8.2921 121.3219 61.0948 35.1091 174.7067 55 S 4.9236 9.4378 121.9902 56.9457 66.8154 173.3054 56 G 4.0495 8.5280 109.5670 44.7722 0.0000 172.1571 57 V 4.3823 7.6464 121.8070 60.6800 35.3024 174.1843 58 V 4.6376 8.2990 126.9997 61.0632 33.5681 174.7065 59 V 4.1090 8.7301 129.7461 62.3802 32.7789 174.9538 60 I 5.1488 8.1844 120.2569 59.4864 41.4059 173.4849 61 S 4.6329 8.5398 115.4617 57.1950 66.9604 174.6069 62 E 4.1588 8.5792 118.4061 56.7172 29.3857 176.9588 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 2 K 8.30 4.30 0.00 1.73 1.91 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 3 S 7.58 4.62 0.00 4.03 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 4 L 8.83 4.11 0.00 1.66 1.77 0.92 0.80 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 5 G 7.68 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 0.00 0.00 0.00 0.00 6 R 8.41 4.58 0.00 1.78 1.84 0.00 3.16 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 7 H 8.69 4.81 0.00 3.01 3.12 0.00 5.73 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.66 4.39 0.00 1.70 1.62 0.95 0.94 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 9 V 8.32 4.10 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 0.78 0.00 0.00 0.72 0.00 0.00 10 A 8.34 4.83 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 11 E 8.74 4.45 0.00 1.79 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 12 F 8.54 4.75 0.00 2.74 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 13 Y 8.24 4.82 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.74 3.76 0.00 2.12 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 2.26 2.38 0.00 15 C 7.56 4.41 0.00 3.01 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 16 D 8.39 4.48 0.00 2.73 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 17 R 8.61 3.97 0.00 1.89 1.94 0.00 3.16 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 18 E 8.05 4.00 0.00 2.15 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 0.00 2.36 2.32 0.00 19 V 7.96 3.76 2.25 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 1.09 0.00 0.00 1.05 0.00 0.00 20 L 7.95 4.13 0.00 1.85 1.74 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.61 5.18 0.00 2.65 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.82 0.00 2.83 2.81 0.00 0.00 6.98 8.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.24 3.71 2.11 0.00 0.00 0.00 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 0.97 0.00 0.00 24 Q 8.01 3.85 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.94 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 25 L 8.64 3.84 0.00 1.75 1.78 0.90 1.01 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 26 I 7.67 3.63 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.79 1.04 0.00 0.00 27 E 7.44 2.54 0.00 1.16 1.61 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 1.95 1.59 0.00 28 Q 7.64 3.83 0.00 2.28 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 29 E 8.31 3.95 0.00 1.96 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 0.00 2.51 2.50 0.00 30 M 8.38 4.14 0.00 2.27 2.40 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.96 2.94 0.00 31 K 8.10 4.11 0.00 2.08 1.87 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.57 7.81 32 Q 8.39 4.04 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.53 0.00 33 A 8.78 3.97 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 34 A 7.70 3.97 1.43 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 35 Y 8.05 4.22 0.00 3.08 3.21 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 0.00 36 E 8.81 3.80 0.00 2.13 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 2.74 2.54 0.00 37 S 7.85 4.31 0.00 4.04 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 38 G 8.09 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.23 4.26 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 40 T 8.14 4.64 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 1.23 0.00 0.00 41 I 8.40 4.38 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.54 0.98 0.00 0.00 42 V 9.14 4.01 2.17 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 0.71 0.00 0.00 0.94 0.00 0.00 43 T 7.58 4.71 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 44 S 8.32 5.06 0.00 4.14 3.88 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 0.00 0.00 0.00 45 T 8.64 4.63 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 1.07 0.00 0.00 46 F 9.02 5.32 0.00 2.94 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 47 H 9.62 5.01 0.00 3.01 2.88 0.00 5.52 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.04 5.03 0.00 1.84 1.84 0.00 3.05 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.53 0.00 49 F 9.34 4.77 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 50 L 8.36 4.89 0.00 1.54 1.49 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 51 P 0.00 4.24 0.00 1.57 1.85 0.00 3.57 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.39 0.00 52 Y 7.12 4.80 0.00 3.08 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 53 G 8.77 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.29 5.14 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 1.01 0.00 0.00 1.05 0.00 0.00 55 S 9.44 4.92 0.00 4.08 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 56 G 8.53 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.65 4.38 1.89 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 0.84 0.00 0.00 0.82 0.00 0.00 58 V 8.30 4.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.08 0.00 0.00 59 V 8.73 4.11 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 0.89 0.00 0.00 0.90 0.00 0.00 60 I 8.18 5.15 1.97 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 0.93 0.00 0.00 61 S 8.54 4.63 0.00 3.89 3.97 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 62 E 8.58 4.16 0.00 1.98 1.89 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 2.30 2.29 0.00