NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2342 8.2431 119.7122 57.0390 31.5401 175.3249 2 G 3.9332 9.4212 106.7608 44.5655 0.0000 171.3041 3 W 4.9289 8.5654 129.9454 55.1849 34.3886 173.1862 4 V 4.0221 7.5061 124.8803 60.3354 31.8949 174.3634 5 E 3.7076 8.4815 127.7699 56.9538 30.0165 175.6738 6 I 4.2295 7.9412 124.8751 62.1839 39.1455 174.3768 7 C 4.9956 7.4929 110.0959 54.1369 44.9730 173.1261 8 A 4.4567 8.5359 121.8587 52.2542 19.1898 176.3513 9 A 5.2686 8.3653 121.7476 50.0531 23.2207 175.3947 10 D 4.6452 9.1238 119.3926 52.3331 41.0648 177.0713 11 D 4.1857 8.1797 117.7749 56.7395 40.6221 176.9115 12 Y 4.4650 7.6632 114.9165 57.5182 38.4599 176.2190 13 G 3.9415 8.3844 108.3626 45.7734 0.0000 173.4992 14 R 4.5599 8.2904 118.7704 54.3436 31.5355 175.4753 15 C 4.8965 8.5475 119.2647 57.0626 40.8769 173.7234 16 L 4.4988 8.6674 122.9253 55.0959 42.0075 176.6323 17 T 4.6585 8.2201 111.3882 59.9323 71.0890 174.3466 18 E 4.1512 8.6329 122.0083 56.2357 30.3356 177.3482 19 A 4.1266 8.6380 125.0707 54.6130 18.9114 177.8317 20 Q 4.2567 7.9312 117.9615 56.0713 29.1094 175.4462 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 R 8.24 4.23 0.00 1.84 1.96 0.00 3.15 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 2 G 9.42 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 0.00 0.00 0.00 3 W 8.57 4.93 0.00 3.27 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 4 V 7.51 4.02 1.85 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 0.74 0.00 0.00 0.86 0.00 0.00 5 E 8.48 3.71 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 2.38 2.45 0.00 6 I 7.94 4.23 1.78 0.00 0.00 0.73 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 0.53 0.87 0.00 0.00 7 C 7.49 5.00 0.00 2.94 3.01 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 8 A 8.54 4.46 1.29 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 0.00 0.00 9 A 8.37 5.27 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 9.12 4.65 0.00 2.85 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 11 D 8.18 4.19 0.00 1.85 2.25 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 12 Y 7.66 4.46 0.00 3.18 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 13 G 8.38 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.56 0.00 2.15 1.89 0.00 3.17 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 15 C 8.55 4.90 0.00 2.87 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 16 L 8.67 4.50 0.00 1.55 1.61 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.22 4.66 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 18 E 8.63 4.15 0.00 1.99 1.93 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 2.32 2.26 0.00 19 A 8.64 4.13 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 20 Q 7.93 4.26 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00