NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3929 8.4293 120.2353 56.9427 30.8954 173.1741 2 T 4.4008 7.8319 108.6662 58.8752 71.3886 172.2710 3 D 4.5470 9.1930 122.2362 53.1203 38.2569 177.1092 4 E 4.1417 8.2358 126.7294 57.7560 30.8903 179.9620 5 S 3.9027 7.9287 113.7214 61.6665 63.3873 177.0798 6 V 3.6406 7.7663 121.5527 65.7046 31.2929 177.6034 7 L 4.0228 8.6811 120.4872 57.8335 41.8614 178.3481 8 M 3.9983 7.5088 116.9606 57.3639 31.5943 178.4373 9 R 3.8424 7.4034 117.6804 58.8203 30.1358 178.2852 10 R 4.1135 7.6198 118.5134 58.8889 30.2352 178.0040 11 Q 3.9425 7.8286 118.2193 58.1306 28.9126 177.3967 12 K 3.9110 8.0050 120.3356 59.7181 32.0835 177.9556 13 Q 4.0435 7.4919 117.6636 58.9216 28.6979 177.5780 14 I 3.3794 7.5326 119.9825 64.3643 37.3894 176.3715 15 N 4.3244 7.3364 116.6136 53.1146 38.2033 174.5988 16 Y 4.7723 8.2485 120.5374 58.4191 38.6934 177.3416 17 G 4.0995 7.8221 106.0851 46.0319 0.0000 172.8278 18 K 4.4130 7.8806 119.4612 54.1874 33.0166 177.1584 19 N 4.6701 8.4742 123.1780 53.2181 36.9642 175.5894 20 T 3.9429 8.1255 116.4232 63.9505 69.2771 176.3549 21 I 3.8211 7.9187 122.4764 64.2167 37.1988 177.3504 22 A 4.2393 7.9464 121.0468 54.3860 18.1538 178.6808 23 Y 4.1503 8.7472 116.0807 60.1096 37.3886 177.7818 24 D 4.4905 8.4176 120.9052 56.4379 39.2433 178.5738 25 R 3.6838 8.0673 119.5997 58.8924 29.8458 177.6083 26 Y 3.8195 7.8782 119.8835 60.9557 38.7349 178.2597 27 I 3.8973 7.5870 118.5628 63.5157 37.9054 177.6269 28 K 4.0587 7.5898 118.5266 58.5229 31.8872 177.9290 29 E 4.1437 7.7279 118.9466 57.2912 29.7281 176.3636 30 V 3.7801 7.6111 122.9422 62.4669 31.2348 175.7797 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 E 8.43 4.39 0.00 2.05 2.12 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 2.32 2.46 0.00 2 T 7.83 4.40 4.25 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 1.22 0.00 0.00 3 D 9.19 4.55 0.00 2.82 2.78 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 4 E 8.24 4.14 0.00 2.30 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.17 0.00 5 S 7.93 3.90 0.00 4.27 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 0.00 6 V 7.77 3.64 2.41 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 1.01 0.00 0.00 0.94 0.00 0.00 7 L 8.68 4.02 0.00 1.73 1.73 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 8 M 7.51 4.00 0.00 1.79 2.05 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.64 0.00 9 R 7.40 3.84 0.00 1.82 1.98 0.00 3.30 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.77 0.00 10 R 7.62 4.11 0.00 1.85 1.85 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 11 Q 7.83 3.94 0.00 2.09 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 12 K 8.00 3.91 0.00 1.89 1.79 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.60 7.81 13 Q 7.49 4.04 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.54 0.00 14 I 7.53 3.38 1.91 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.23 0.75 0.00 0.00 15 N 7.34 4.32 0.00 2.76 2.78 0.00 0.00 6.90 7.24 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 16 Y 8.25 4.77 0.00 2.99 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.82 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 0.00 0.00 0.00 18 K 7.88 4.41 0.00 1.70 1.77 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.30 1.47 7.81 19 N 8.47 4.67 0.00 2.77 2.83 0.00 0.00 6.85 7.07 0.00 0.00 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 T 8.13 3.94 3.69 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 0.00 0.00 0.00 1.09 0.00 0.00 21 I 7.92 3.82 1.90 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 1.57 0.76 0.94 0.00 0.00 22 A 7.95 4.24 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.75 4.15 0.00 3.09 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.42 4.49 0.00 2.93 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 25 R 8.07 3.68 0.00 1.96 1.98 0.00 3.09 0.00 0.00 3.09 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 26 Y 7.88 3.82 0.00 3.14 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 I 7.59 3.90 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.32 1.01 0.00 0.00 28 K 7.59 4.06 0.00 1.84 1.86 0.00 1.78 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.65 7.81 29 E 7.73 4.14 0.00 1.79 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 30 V 7.61 3.78 2.17 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 0.71 0.00 0.00 0.94 0.00 0.00