NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7464 8.1700 119.7127 53.2312 41.1362 175.2007 2 H 3.7858 8.9275 117.3925 59.0697 29.4114 174.9651 3 Y 3.8138 8.5043 122.6206 60.7420 39.0977 177.2944 4 A 4.1134 8.6391 121.5927 55.2894 18.5054 178.6438 5 C 4.0907 8.6648 117.2081 60.0564 41.8879 176.1415 6 V 3.7064 7.8568 121.1930 65.3435 30.8430 177.8279 7 S 3.9917 8.0956 112.9542 60.7990 62.2093 175.2980 8 S 4.5923 7.7568 114.4250 58.1755 63.1861 175.0921 9 G 3.8648 8.1265 111.8143 45.2379 0.0000 174.1245 10 G 4.1297 7.8923 107.7676 45.3845 0.0000 172.4656 11 Q 4.8407 8.8219 116.8696 54.3629 32.0989 174.1449 12 C 4.9362 8.7352 119.1397 56.2116 39.5175 172.9196 13 L 5.0044 8.7701 124.4669 53.1406 44.3026 177.8183 14 Y 4.1399 9.1046 119.9885 60.0707 38.5297 175.5423 15 S 4.8084 7.6960 114.8167 56.6880 65.4730 173.4161 16 A 4.2005 8.2814 123.1964 52.7388 18.7243 178.5091 17 C 4.4972 8.4171 117.9665 56.0799 35.9593 172.3862 18 P 4.5724 0.0000 0.0000 61.7396 31.9546 175.8301 19 I 3.5106 7.8176 112.4942 62.4982 37.5437 176.1592 20 F 4.2004 8.4996 119.1255 58.1182 36.2901 174.5108 21 T 5.0199 7.6112 110.0304 59.9001 72.0791 172.9908 22 K 4.7427 8.1377 119.8304 55.0882 36.7718 175.1428 23 I 4.2724 8.2622 122.1151 61.5110 37.4472 177.1040 24 Q 4.3581 9.2454 126.4889 52.6304 29.2042 173.9389 25 G 3.7770 9.0685 108.1829 44.4531 0.0000 169.8090 26 T 4.9397 7.9273 106.6316 60.3811 72.0731 172.8900 27 C 4.5920 8.3739 118.5342 56.3239 39.7837 172.5863 28 Y 3.5831 8.4802 115.8850 60.1736 33.5076 170.1886 29 R 3.8814 9.0112 114.0184 57.1960 28.3969 178.2999 30 G 4.0172 8.4376 105.0840 45.5954 0.0000 175.5101 31 K 4.0867 7.8719 118.0398 58.1410 32.6201 176.7725 32 A 4.4922 8.0596 120.1819 49.5873 22.2837 175.8840 33 K 4.3506 8.6279 119.2379 55.9291 34.1914 175.7698 34 C 4.9285 8.9152 125.1145 55.7318 45.5457 171.6234 35 C 5.3199 9.2923 125.8079 55.5025 41.5842 174.4752 36 K 4.2393 8.6377 123.0414 56.6501 32.5754 176.3390 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 D 8.17 4.75 0.00 2.88 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.93 3.79 0.00 3.36 3.46 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.50 3.81 0.00 3.15 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 4 A 8.64 4.11 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.09 0.00 2.96 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 6 V 7.86 3.71 1.90 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 0.96 0.00 0.00 0.91 0.00 0.00 7 S 8.10 3.99 0.00 3.58 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 8 S 7.76 4.59 0.00 4.07 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 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 0.00 0.00 0.00 10 G 7.89 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 0.00 0.00 0.00 0.00 11 Q 8.82 4.84 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 12 C 8.74 4.94 0.00 2.52 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 0.00 0.00 0.00 13 L 8.77 5.00 0.00 1.50 1.54 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 9.10 4.14 0.00 2.96 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 15 S 7.70 4.81 0.00 3.90 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 16 A 8.28 4.20 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 17 C 8.42 4.50 0.00 2.96 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.57 0.00 2.22 2.18 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 19 I 7.82 3.51 1.09 0.00 0.00 0.39 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 0.23 0.69 0.00 0.00 20 F 8.50 4.20 0.00 3.31 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 5.02 4.34 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 1.27 0.00 0.00 22 K 8.14 4.74 0.00 1.78 1.89 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.46 7.81 23 I 8.26 4.27 1.85 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 1.32 0.52 0.88 0.00 0.00 24 Q 9.25 4.36 0.00 1.79 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.40 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 25 G 9.07 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 0.00 0.00 0.00 26 T 7.93 4.94 4.21 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 1.19 0.00 0.00 27 C 8.37 4.59 0.00 1.78 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.48 3.58 0.00 3.04 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 29 R 9.01 3.88 0.00 1.99 2.03 0.00 3.44 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.44 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.87 4.09 0.00 2.09 2.08 0.00 1.97 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.58 1.58 7.81 32 A 8.06 4.49 0.46 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 33 K 8.63 4.35 0.00 1.71 1.66 0.00 1.85 0.00 0.00 1.55 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.33 7.81 34 C 8.92 4.93 0.00 2.88 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 35 C 9.29 5.32 0.00 2.84 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.64 4.24 0.00 1.59 1.62 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.37 7.81