NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.9171 8.3244 115.8820 56.3448 39.9929 175.2322 2 V 3.3556 7.1291 120.7986 64.3859 32.2013 174.9141 3 N 4.6024 7.4487 118.7156 50.5310 37.7672 172.2381 4 Q 4.3803 7.0235 116.7151 55.5487 31.5627 173.9365 5 H 4.3644 8.6924 115.7269 55.3983 28.7166 175.0884 6 L 4.7268 8.4951 125.0456 53.1188 43.5245 175.7666 7 C 4.9615 8.1280 120.6465 58.5695 33.0662 175.3617 8 G 3.8002 8.4688 110.7456 46.5236 0.0000 177.4092 9 S 4.1336 8.6276 117.2680 61.2304 63.1355 176.3497 10 H 4.2398 8.2474 118.4576 58.5590 28.2870 177.4623 11 L 3.9334 7.7756 121.8301 57.9924 42.0845 178.8943 12 V 3.2533 7.4699 118.2044 65.9304 31.4043 177.9004 13 E 4.0136 8.3147 118.1425 59.1799 29.1807 179.1667 14 A 4.2244 7.7486 120.9029 55.2893 18.4069 179.6793 15 L 3.6110 7.5908 117.5021 57.7727 41.3416 179.1241 16 Y 4.2530 7.6111 119.3927 60.8299 38.5583 178.2889 17 L 3.7645 7.8286 118.5667 57.5644 41.8022 179.4369 18 V 3.7629 7.8480 117.4746 66.3317 31.9989 177.7425 19 C 4.3059 8.5572 116.6822 60.5638 28.5347 175.0630 20 G 3.6443 8.2976 109.6861 46.5569 0.0000 176.3215 21 E 4.2144 8.8035 122.8153 58.1551 29.5377 178.0880 22 R 3.9342 7.8311 117.9595 56.9874 30.3531 177.7156 23 G 3.9084 9.2343 105.7194 45.4035 0.0000 171.2511 24 F 4.8331 7.4460 112.3966 56.2803 40.0303 172.7363 25 F 4.9746 8.4287 114.8844 55.0547 40.1748 173.5747 26 Y 4.8402 8.9895 124.4551 56.3901 38.7972 175.2303 27 T 4.3536 8.0326 124.3969 60.6253 69.4752 172.7397 28 P 4.1708 0.0000 0.0000 64.3522 31.7969 177.4966 29 K 4.3900 7.0912 115.3392 54.0951 31.3128 176.0333 30 A 4.3348 7.8788 124.3400 51.9888 19.1904 176.7898 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 F 8.32 4.92 0.00 3.18 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 2 V 7.13 3.36 1.68 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 0.58 0.00 0.00 -0.04 0.00 0.00 3 N 7.45 4.60 0.00 2.69 2.71 0.00 0.00 6.71 7.69 0.00 0.00 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 Q 7.02 4.38 0.00 2.12 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.43 7.00 0.00 0.00 0.00 0.00 0.00 2.19 2.35 0.00 5 H 8.69 4.36 0.00 3.19 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.50 4.73 0.00 1.59 1.59 0.91 1.06 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 7 C 8.13 4.96 0.00 2.90 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 8 G 8.47 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 9 S 8.63 4.13 0.00 4.01 4.14 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 10 H 8.25 4.24 0.00 3.38 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.78 3.93 0.00 1.79 1.76 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 12 V 7.47 3.25 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 0.98 0.00 0.00 0.30 0.00 0.00 13 E 8.31 4.01 0.00 2.06 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 2.29 2.50 0.00 14 A 7.75 4.22 1.35 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 15 L 7.59 3.61 0.00 0.85 0.19 0.71 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.61 4.25 0.00 3.22 3.18 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 17 L 7.83 3.76 0.00 1.94 1.70 0.61 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.85 3.76 2.09 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 0.78 0.00 0.00 0.92 0.00 0.00 19 C 8.56 4.31 0.00 3.22 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 20 G 8.30 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 4.21 0.00 1.98 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 2.31 2.28 0.00 22 R 7.83 3.93 0.00 2.12 2.05 0.00 3.26 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 23 G 9.23 3.91 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 0.00 0.00 0.00 24 F 7.45 4.83 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.43 4.97 0.00 3.17 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 26 Y 8.99 4.84 0.00 3.10 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 27 T 8.03 4.35 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 1.20 0.00 0.00 28 P 0.00 4.17 0.00 1.89 1.95 0.00 3.38 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.84 0.00 29 K 7.09 4.39 0.00 1.62 1.71 0.00 1.51 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 30 A 7.88 4.33 1.23 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 0.00 0.00