NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.1686 8.4287 116.1910 58.5488 64.4314 174.0235 2 A 4.4247 8.0836 124.8577 51.2915 20.1054 175.6478 3 I 3.9139 9.0748 116.9340 64.8309 38.3050 176.2415 4 S 4.6417 7.7813 116.2490 59.0837 63.2753 175.2150 5 C 4.9522 7.3927 123.8055 55.5910 40.1325 175.6501 6 G 4.5180 9.1737 113.5184 46.6824 0.0000 171.6588 7 E 4.8159 7.2221 116.0682 55.4918 33.3641 174.5400 8 T 4.2496 8.5361 110.3040 62.0365 70.6216 175.3559 9 C 4.7845 9.0272 122.5902 55.9227 44.7050 172.4056 10 F 4.9031 9.3101 126.1767 59.1951 40.1062 175.9736 11 K 3.6185 9.6641 126.4914 56.9838 31.2076 177.4981 12 F 5.2440 8.8728 114.4089 57.2591 40.6902 172.4246 13 K 4.0068 7.8974 122.6372 58.5008 33.3558 176.2520 14 C 4.2224 7.6859 116.9766 56.0085 40.9441 174.0936 15 Y 4.7540 7.2469 122.4069 57.0326 38.2510 174.6442 16 T 4.4390 7.4423 115.8329 62.2431 69.8362 172.6984 17 P 4.3667 0.0000 0.0000 64.3335 31.6706 176.1120 18 R 3.9217 9.0666 123.4414 57.2200 28.4666 176.7667 19 C 4.9986 8.1581 111.0454 55.5335 40.8300 173.0202 20 S 4.7510 8.6806 117.3817 57.2734 64.3441 174.4294 21 C 4.7833 8.4858 124.6332 56.0672 40.3005 172.6017 22 S 4.4513 8.9946 122.2017 55.7377 60.6200 170.7143 23 Y 4.5696 7.6063 121.3701 55.6513 39.3838 174.7975 24 P 5.6165 0.0000 0.0000 61.8444 31.6868 174.8516 25 V 4.7262 8.4356 119.2881 62.3317 35.5569 173.2572 26 C 5.0454 8.4147 127.0064 55.3305 45.6825 173.3905 27 K 4.5283 9.2800 126.5142 57.0655 32.1057 175.1068 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 8.43 5.17 0.00 3.90 3.85 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 2 A 8.08 4.42 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 0.00 0.00 0.00 3 I 9.07 3.91 1.86 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 1.41 0.84 0.90 0.00 0.00 4 S 7.78 4.64 0.00 3.79 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.39 4.95 0.00 3.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.17 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.22 4.82 0.00 1.84 2.04 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 2.38 2.20 0.00 8 T 8.54 4.25 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 9 C 9.03 4.78 0.00 3.04 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.31 4.90 0.00 3.06 3.06 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 11 K 9.66 3.62 0.00 1.79 1.73 0.00 1.54 0.00 0.00 1.52 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.57 7.81 12 F 8.87 5.24 0.00 2.90 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 13 K 7.90 4.01 0.00 1.83 1.77 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.50 7.81 14 C 7.69 4.22 0.00 3.02 3.11 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 0.00 0.00 0.00 15 Y 7.25 4.75 0.00 2.83 2.34 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.44 4.44 4.20 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 1.21 0.00 0.00 17 P 0.00 4.37 0.00 2.05 2.06 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 18 R 9.07 3.92 0.00 2.06 1.98 0.00 3.24 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 19 C 8.16 5.00 0.00 3.10 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 20 S 8.68 4.75 0.00 4.08 4.10 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 21 C 8.49 4.78 0.00 3.11 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.99 4.45 0.00 3.93 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 23 Y 7.61 4.57 0.00 3.04 2.88 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 24 P 0.00 5.62 0.00 1.47 0.88 0.00 3.58 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.10 0.00 25 V 8.44 4.73 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 1.09 0.00 0.00 0.86 0.00 0.00 26 C 8.41 5.05 0.00 3.05 3.14 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 27 K 9.28 4.53 0.00 1.78 1.56 0.00 1.65 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.39 7.81