NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.7884 8.4449 120.3874 56.4370 30.9753 172.0588 2 S 4.4058 7.4674 119.2926 57.7397 66.7838 173.1747 3 D 4.6008 8.7777 116.0350 54.2527 46.1197 177.3196 4 G 3.8043 7.7447 118.8205 45.8131 0.0000 174.0531 5 I 3.1839 8.6758 124.0157 63.1485 38.5746 174.7385 6 F 4.1324 7.2321 119.7304 53.9266 38.6083 174.3722 7 T 4.3143 7.2976 123.5081 61.8659 71.6638 173.0033 8 D 4.6884 8.3879 114.5550 56.2633 41.8767 177.9909 9 S 4.0460 8.0037 113.8403 61.8654 62.7452 175.6027 10 Y 4.5432 8.1138 121.4715 59.6029 37.5586 178.1597 11 S 2.9421 7.4552 114.9722 60.6318 61.2892 176.3661 12 R 4.0111 8.1049 117.9834 58.5003 29.1365 176.9086 13 Y 4.3612 8.6271 119.3293 58.5702 39.1416 175.9755 14 R 3.8892 8.0203 119.0671 58.0934 30.4691 177.6611 15 K 3.7489 7.6742 116.7005 59.8970 32.3495 178.8509 16 Q 3.8970 7.2853 114.8330 60.3422 28.4605 178.7475 17 M 3.6220 7.9080 115.7423 58.6879 31.9171 178.1635 18 A 4.0527 7.8308 123.2410 55.8053 18.9693 179.2977 19 V 3.6195 7.3500 114.9867 66.2872 31.6828 176.6433 20 K 4.2622 8.1109 121.0216 56.6205 32.1578 176.7146 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 H 8.44 4.79 0.00 3.03 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.47 4.41 0.00 3.94 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 4.60 0.00 2.47 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.74 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.68 3.18 1.72 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.30 0.89 0.00 0.00 6 F 7.23 4.13 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.30 4.31 4.31 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 1.37 0.00 0.00 8 D 8.39 4.69 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.00 4.05 0.00 4.08 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 10 Y 8.11 4.54 0.00 3.17 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 7.46 2.94 0.00 3.53 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 12 R 8.10 4.01 0.00 2.06 2.14 0.00 2.84 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 13 Y 8.63 4.36 0.00 2.90 3.07 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 0.00 0.00 0.00 0.00 14 R 8.02 3.89 0.00 1.82 1.59 0.00 3.28 0.00 0.00 3.11 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.77 0.00 15 K 7.67 3.75 0.00 1.91 1.81 0.00 1.51 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.49 7.81 16 Q 7.29 3.90 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.63 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 17 M 7.91 3.62 0.00 1.84 2.02 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 18 A 7.83 4.05 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 19 V 7.35 3.62 2.13 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 0.83 0.00 0.00 0.89 0.00 0.00 20 K 8.11 4.26 0.00 1.70 1.67 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.57 7.81