NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4645 8.3231 115.4195 58.2556 64.2864 172.0285 2 G 3.3547 8.2609 110.0036 44.5772 0.0000 172.2265 3 S 4.5967 8.4722 118.2684 56.1640 64.7209 170.6507 4 W 4.3481 8.8026 135.0000 58.8472 32.3092 177.1199 5 L 4.4154 8.1925 115.8984 57.1658 40.1315 177.6985 6 R 4.2727 7.6828 119.2969 58.5737 30.3026 177.2822 7 D 4.3740 7.9259 117.3059 57.4565 41.2904 177.9124 8 I 3.9792 7.6390 119.8218 63.1975 37.0469 178.1468 9 W 4.2311 8.0917 129.7485 60.5693 30.6457 177.3543 10 D 4.3771 7.8960 118.4914 57.0997 40.6419 178.0669 11 W 4.0833 8.2597 128.4048 60.5893 30.8777 177.8483 12 I 3.1377 8.3094 120.1443 64.2853 36.5345 178.0156 13 C 3.9542 7.8763 119.6494 62.3296 31.3225 175.4909 14 E 3.9926 7.8695 121.4695 58.7491 28.9296 179.4917 15 V 3.3355 7.3919 118.4144 65.4968 31.4680 177.9518 16 L 3.8929 7.5297 120.1367 58.0523 41.6312 179.1405 17 S 4.1656 7.8844 113.9514 61.4362 62.9606 175.9590 18 D 4.9233 8.2213 123.1686 56.6488 40.5726 178.1264 19 F 3.5797 8.5024 118.5239 60.2337 38.9408 177.3835 20 K 3.9580 7.9131 118.7908 58.9229 32.0772 178.8383 21 T 4.1338 7.8079 109.7728 64.0133 69.1640 176.5938 22 W 3.9283 8.8142 132.1556 60.2401 30.4942 177.7302 23 L 4.1257 7.6021 118.2819 57.8827 41.4722 178.5851 24 K 4.0558 7.7233 118.2436 59.3861 32.0173 178.7169 25 A 3.8982 8.4837 120.5597 54.8126 18.2170 179.1695 26 K 3.7136 7.3542 117.2309 60.0133 32.6637 175.7062 27 L 4.7595 7.2351 119.1951 54.3287 44.5865 172.9552 28 M 3.2591 8.5411 121.1121 54.0092 31.1884 173.8533 29 P 4.1723 0.0000 0.0000 64.6661 31.8380 176.4319 30 Q 4.0400 8.1061 125.3106 54.8514 29.1261 176.3223 31 L 3.9500 8.4745 122.3045 55.2396 41.8061 174.7756 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 S 8.32 4.46 0.00 4.20 4.09 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 2 G 8.26 3.35 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 0.00 3 S 8.47 4.60 0.00 3.85 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 4 W 8.80 4.35 0.00 3.39 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 5 L 8.19 4.42 0.00 1.41 1.80 0.61 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.68 4.27 0.00 1.92 1.96 0.00 3.06 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 7 D 7.93 4.37 0.00 2.74 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 3.98 1.98 0.00 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.10 0.94 0.00 0.00 9 W 8.09 4.23 0.00 3.70 3.17 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 0.00 0.00 0.00 0.00 10 D 7.90 4.38 0.00 3.12 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 11 W 8.26 4.08 0.00 3.41 3.41 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 12 I 8.31 3.14 1.85 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.46 0.00 0.00 13 C 7.88 3.95 0.00 2.99 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 14 E 7.87 3.99 0.00 2.19 1.83 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 2.29 2.13 0.00 15 V 7.39 3.34 1.57 0.00 0.00 0.00 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 -0.51 0.00 0.00 16 L 7.53 3.89 0.00 1.77 1.65 0.76 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.88 4.17 0.00 4.11 4.06 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 0.00 0.00 0.00 0.00 18 D 8.22 4.92 0.00 2.89 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 3.58 0.00 3.31 3.03 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 0.00 20 K 7.91 3.96 0.00 2.05 1.98 0.00 1.53 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.52 7.81 21 T 7.81 4.13 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 1.26 0.00 0.00 22 W 8.81 3.93 0.00 3.54 3.17 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 0.00 0.00 0.00 0.00 23 L 7.60 4.13 0.00 2.10 1.81 1.30 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.72 4.06 0.00 2.19 1.86 0.00 1.58 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.55 7.81 25 A 8.48 3.90 1.18 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 26 K 7.35 3.71 0.00 1.31 1.78 0.00 1.45 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.15 7.81 27 L 7.24 4.76 0.00 1.54 1.52 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 28 M 8.54 3.26 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 29 P 0.00 4.17 0.00 2.16 1.96 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 30 Q 8.11 4.04 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.25 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 31 L 8.47 3.95 0.00 1.76 1.62 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00