NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4341 8.3649 120.1859 53.8037 41.3567 172.5528 2 V 3.8934 7.5878 113.2911 58.5442 32.9753 172.3266 3 N 4.0749 8.6191 126.7252 53.2490 37.0888 172.9481 4 E 3.8237 8.3498 121.1165 58.2633 30.0657 178.3553 5 C 4.5461 7.8197 119.4353 55.4394 42.5062 172.6703 6 I 4.0172 8.1185 126.9685 63.0843 37.9015 177.3896 7 S 4.4734 7.2020 111.9059 57.1517 62.2095 170.4939 8 N 4.1625 8.3284 124.5042 52.0842 38.5785 173.2202 9 P 4.1977 0.0000 0.0000 65.6467 31.6993 178.0885 10 C 4.4211 8.0476 115.1865 57.5052 40.6086 173.7426 11 Q 4.4840 8.8951 123.8932 55.5207 28.9064 174.7969 12 N 4.7855 7.3828 115.2730 53.1881 41.9365 174.0492 13 D 4.6645 8.4225 116.2712 55.5923 41.4403 176.3513 14 A 4.4193 7.6467 121.5436 51.7642 20.5605 177.4586 15 T 4.6488 8.1286 112.8865 62.1102 71.9763 173.5655 16 C 4.7276 8.5583 124.2295 56.2500 39.8917 173.1583 17 L 4.6562 7.6485 119.5015 54.5406 44.2408 172.3112 18 D 5.3748 8.3325 122.2962 51.6352 43.7496 174.1861 19 Q 4.4874 8.2530 114.0217 55.1599 31.7872 174.6007 20 I 4.2387 8.0446 116.5974 58.8038 35.3494 174.3952 21 G 3.8037 7.2955 118.9101 45.0636 0.0000 170.2516 22 E 4.5239 7.1746 121.8133 54.4157 31.9335 173.8686 23 F 4.9813 8.0519 116.2799 57.9085 41.1780 172.7787 24 Q 4.2662 8.2337 125.2617 54.2406 33.1700 173.2309 25 C 4.9451 8.4984 123.3987 54.9963 40.7609 173.9165 26 I 4.0990 8.5369 127.4270 60.1279 36.4801 175.9497 27 C 4.6372 8.2686 124.6163 57.0059 35.6629 173.0868 28 M 4.6246 8.1948 118.7889 53.3278 33.4859 173.2965 29 P 4.2226 0.0000 0.0000 65.2514 30.0079 176.4036 30 G 3.8609 8.8827 117.4767 46.6732 0.0000 170.7804 31 Y 4.3712 7.6951 119.9193 55.2042 40.7908 174.5431 32 E 4.3974 8.1425 127.4860 55.7047 31.0535 174.9012 33 G 4.3645 8.8322 110.8311 44.2115 0.0000 174.3827 34 V 3.5167 8.3752 122.2538 65.2533 32.0853 176.3143 35 Y 4.9805 7.1609 115.8909 58.9213 38.6552 176.1444 36 C 4.3682 8.1270 113.1560 57.7082 37.4357 172.7064 37 E 4.5229 8.2936 116.6890 56.1400 31.5561 177.1217 38 I 4.0015 8.3905 125.2716 61.3792 37.2705 175.3381 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 D 8.36 4.43 0.00 2.60 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 2 V 7.59 3.89 2.06 0.00 0.00 0.00 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 0.91 0.00 0.00 3 N 8.62 4.07 0.00 2.82 2.80 0.00 0.00 7.25 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 4 E 8.35 3.82 0.00 1.67 1.82 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 2.35 1.50 0.00 5 C 7.82 4.55 0.00 3.20 3.31 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 6 I 8.12 4.02 1.84 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 1.41 0.92 0.89 0.00 0.00 7 S 7.20 4.47 0.00 3.74 3.71 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 0.00 0.00 0.00 0.00 8 N 8.33 4.16 0.00 2.87 2.80 0.00 0.00 7.33 8.00 0.00 0.00 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 P 0.00 4.20 0.00 1.68 2.19 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.04 0.00 10 C 8.05 4.42 0.00 2.93 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 11 Q 8.90 4.48 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 12 N 7.38 4.79 0.00 2.35 2.53 0.00 0.00 7.15 8.14 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 13 D 8.42 4.66 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.65 4.42 1.21 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 0.00 0.00 15 T 8.13 4.65 4.22 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 1.20 0.00 0.00 16 C 8.56 4.73 0.00 3.12 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 17 L 7.65 4.66 0.00 1.50 1.53 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.33 5.37 0.00 3.06 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 19 Q 8.25 4.49 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 7.18 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 20 I 8.04 4.24 1.87 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 1.35 0.69 0.92 0.00 0.00 21 G 7.30 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.17 4.52 0.00 1.98 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 2.24 2.26 0.00 23 F 8.05 4.98 0.00 2.94 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 24 Q 8.23 4.27 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.54 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 25 C 8.50 4.95 0.00 2.77 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.54 4.10 1.84 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 1.20 1.11 0.89 0.00 0.00 27 C 8.27 4.64 0.00 2.94 3.09 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 0.00 0.00 0.00 28 M 8.19 4.62 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 29 P 0.00 4.22 0.00 2.19 2.15 0.00 3.79 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 2.03 2.00 0.00 30 G 8.88 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 7.70 4.37 0.00 3.10 2.76 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 32 E 8.14 4.40 0.00 2.05 1.79 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 2.27 2.25 0.00 33 G 8.83 4.36 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 0.00 34 V 8.38 3.52 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 0.73 0.00 0.00 35 Y 7.16 4.98 0.00 3.04 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 36 C 8.13 4.37 0.00 2.80 2.38 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 0.00 37 E 8.29 4.52 0.00 2.11 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 0.00 2.22 2.35 0.00 38 I 8.39 4.00 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.35 0.85 0.00 0.00