NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2887 8.0327 117.3741 63.5631 69.1843 174.9400 2 S 4.0403 7.8334 113.6159 58.0183 62.7665 172.7526 3 S 4.3241 8.7180 114.1834 59.1427 63.2885 173.3027 4 I 4.2932 7.3998 117.8839 63.2134 38.7527 177.2616 5 V 3.6093 7.1512 119.0900 66.6354 31.0731 177.1973 6 H 3.8980 7.4031 115.9481 59.4286 29.8259 176.1545 7 L 4.0841 7.9293 121.0240 58.7476 41.6222 178.4980 8 C 3.5549 8.7332 116.7067 62.7453 27.8005 175.3311 9 A 4.2805 8.2100 119.6271 52.5954 17.9794 177.6681 10 I 4.2260 8.3525 119.5160 63.2875 38.8464 177.9656 11 S 4.1987 8.0430 111.1473 60.2409 62.4874 175.2151 12 L 4.2890 7.4181 122.8145 57.9220 42.1287 177.4718 13 D 4.4496 8.1314 117.5157 57.6667 40.7126 177.9695 14 R 3.8891 7.6754 118.8218 59.9603 29.9010 177.1617 15 Y 4.3746 7.8436 113.7519 58.3721 37.7938 177.4071 16 W 4.4687 8.9322 131.6139 60.6044 30.7520 177.5852 17 S 3.7388 8.1266 111.4939 61.4290 61.9949 175.7801 18 I 3.7545 7.1151 119.1583 64.7664 36.8283 178.1540 19 T 3.8069 7.5098 116.4090 67.0452 68.2041 176.2616 20 Q 3.6615 7.6423 119.0638 58.0116 28.9730 177.0939 21 A 4.5087 7.7826 119.5544 52.1808 19.9113 177.7684 22 I 4.0684 7.5969 119.0937 63.4122 37.8912 177.5791 23 E 4.1783 7.9707 117.4684 58.3656 29.5340 177.5365 24 Y 4.1178 7.8736 118.6407 59.6981 40.1164 175.1690 25 N 4.9887 8.3991 116.4745 51.0709 38.5926 172.0379 26 L 4.5146 7.6978 119.7558 55.4120 45.1701 176.5045 27 K 4.5835 7.7279 116.7514 55.0368 32.0960 174.8624 28 R 4.6343 7.4882 119.8960 54.9584 32.7186 176.0979 29 T 5.0180 8.1665 112.8819 58.0860 67.6149 171.3467 30 P 4.2460 0.0000 0.0000 64.2337 32.0637 176.2102 31 R 4.7192 10.6400 119.1538 53.9205 33.7008 175.2260 32 R 4.4882 8.2500 117.1875 57.4834 31.0123 175.1021 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 T 8.03 4.29 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 2 S 7.83 4.04 0.00 3.92 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 3 S 8.72 4.32 0.00 3.86 3.83 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 0.00 0.00 0.00 4 I 7.40 4.29 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 1.52 0.84 0.91 0.00 0.00 5 V 7.15 3.61 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 1.07 0.00 0.00 0.93 0.00 0.00 6 H 7.40 3.90 0.00 3.14 3.31 0.00 6.02 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.93 4.08 0.00 1.76 1.82 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 8 C 8.73 3.55 0.00 3.19 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 9 A 8.21 4.28 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 0.00 0.00 0.00 0.00 0.00 10 I 8.35 4.23 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.91 0.00 0.00 11 S 8.04 4.20 0.00 3.87 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.42 4.29 0.00 1.90 1.70 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.13 4.45 0.00 2.83 2.71 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 14 R 7.68 3.89 0.00 1.81 1.74 0.00 3.06 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 15 Y 7.84 4.37 0.00 2.77 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.93 4.47 0.00 3.29 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 3.74 0.00 3.91 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 18 I 7.12 3.75 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.55 0.90 0.00 0.00 19 T 7.51 3.81 4.31 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 1.20 0.00 0.00 20 Q 7.64 3.66 0.00 1.52 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.58 0.00 0.00 0.00 0.00 0.00 1.97 1.67 0.00 21 A 7.78 4.51 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 22 I 7.60 4.07 1.98 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 1.38 0.78 0.89 0.00 0.00 23 E 7.97 4.18 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 24 Y 7.87 4.12 0.00 2.59 2.43 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 25 N 8.40 4.99 0.00 2.64 2.69 0.00 0.00 6.76 7.74 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 26 L 7.70 4.51 0.00 1.74 1.56 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.73 4.58 0.00 1.70 1.66 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.37 7.81 28 R 7.49 4.63 0.00 1.78 1.77 0.00 3.39 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 29 T 8.17 5.02 4.13 0.00 0.00 0.00 0.00 0.00 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 30 P 0.00 4.25 0.00 2.20 2.23 0.00 3.71 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.82 0.00 31 R 10.64 4.72 0.00 1.88 1.75 0.00 3.50 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 32 R 8.25 4.49 0.00 1.67 1.59 0.00 3.31 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.46 0.00