NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.8138 7.8774 117.5234 56.7119 42.5328 173.5200 2 G 4.0093 7.5559 103.3889 44.4397 0.0000 171.5806 3 E 5.1385 9.3299 122.4947 55.6593 35.3836 174.2562 4 S 5.1269 8.4861 115.3832 58.1873 63.6701 172.5321 5 C 5.5867 8.2729 115.4959 54.3172 42.0807 176.2376 6 V 3.6758 8.0408 120.4208 67.1177 31.7074 176.7966 7 W 4.2392 8.4258 128.4163 59.6452 31.1839 175.9171 8 I 4.6440 7.5161 110.4244 57.9370 40.0652 172.8720 9 P 4.7692 0.0000 0.0000 62.5944 32.0679 176.2860 10 C 4.6817 8.3399 117.1439 56.1077 37.3791 171.8364 11 I 4.3742 7.2971 110.2664 62.6291 39.8524 177.8710 12 S 4.0224 8.0219 115.7039 60.7369 63.2488 175.9431 13 A 4.6158 7.9920 119.3282 52.5137 18.3366 177.6052 14 A 4.3379 7.8217 121.6671 55.0228 19.1739 179.5891 15 L 4.0618 7.6038 114.8680 58.5376 40.4460 178.5385 16 G 3.5547 7.0947 110.7186 47.7290 0.0000 175.7299 17 C 4.8061 7.6659 120.0219 56.0155 42.6017 172.4655 18 S 4.7580 8.4293 114.2952 57.6960 66.8477 173.6957 19 C 4.7497 8.8196 124.6132 56.0243 42.3331 172.7262 20 K 4.5041 8.9427 127.2950 56.1871 35.4922 174.5712 21 N 4.1870 9.2358 122.6180 56.4357 36.9596 173.5405 22 K 3.9158 7.7647 117.2360 56.6651 32.6370 175.6189 23 V 4.4136 7.2062 115.9177 61.8534 34.7946 174.4308 24 C 4.9202 8.6523 123.3535 56.2901 39.6289 172.3521 25 Y 5.1519 7.2756 118.5192 56.9124 40.0959 175.9406 26 R 4.6004 8.0942 119.4359 57.0299 30.3535 175.2564 27 N 4.2708 8.3380 109.8602 53.2691 37.5615 174.8211 28 G 4.8484 7.5269 117.1703 45.7636 0.0000 173.4332 29 I 4.3226 6.7908 119.8062 57.7537 40.3634 173.3443 30 P 2.9700 0.0000 0.0000 62.4995 31.0542 176.0450 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 C 7.88 4.81 0.00 3.30 3.28 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 2 G 7.56 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.33 5.14 0.00 2.15 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 2.19 2.21 0.00 4 S 8.49 5.13 0.00 3.84 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 5 C 8.27 5.59 0.00 3.07 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 6 V 8.04 3.68 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.95 0.00 0.00 7 W 8.43 4.24 0.00 3.37 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 8 I 7.52 4.64 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.74 0.95 0.00 0.00 9 P 0.00 4.77 0.00 2.20 2.09 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 10 C 8.34 4.68 0.00 3.01 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.30 4.37 1.88 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 1.43 0.79 0.92 0.00 0.00 12 S 8.02 4.02 0.00 3.92 3.96 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 13 A 7.99 4.62 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.34 1.34 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 0.00 0.00 15 L 7.60 4.06 0.00 1.77 1.76 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.09 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.67 4.81 0.00 3.11 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.76 0.00 3.73 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 19 C 8.82 4.75 0.00 2.98 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 20 K 8.94 4.50 0.00 1.73 1.55 0.00 1.83 0.00 0.00 1.56 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.51 7.81 21 N 9.24 4.19 0.00 2.78 2.72 0.00 0.00 7.31 6.66 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 22 K 7.76 3.92 0.00 2.02 2.01 0.00 1.54 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.33 7.81 23 V 7.21 4.41 1.91 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 0.16 0.00 0.00 -0.02 0.00 0.00 24 C 8.65 4.92 0.00 3.24 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.28 5.15 0.00 2.91 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 26 R 8.09 4.60 0.00 1.74 1.92 0.00 3.43 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 27 N 8.34 4.27 0.00 2.90 2.87 0.00 0.00 7.11 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 28 G 7.53 4.85 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 0.00 0.00 0.00 29 I 6.79 4.32 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.36 0.87 0.00 0.00 30 P 0.00 2.97 0.00 1.95 1.51 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.71 0.00