NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9911 8.2127 109.7433 45.3000 0.0000 173.8069 2 I 3.3484 8.0151 118.9075 62.4378 37.5292 173.0419 3 V 3.4947 7.7736 118.9832 65.9322 31.6660 177.0099 4 E 3.9230 8.0233 117.2810 59.4092 29.6260 178.1132 5 Q 4.1872 8.0779 118.5920 58.2560 29.2410 175.7004 6 C 5.0810 8.1563 113.6981 56.8317 41.5504 173.9407 7 C 4.5125 7.9278 116.2036 59.8862 28.3564 173.5767 8 T 4.4093 7.9300 114.3417 64.7829 70.3018 174.1603 9 S 4.7807 7.6993 115.3334 56.2555 64.7461 174.2525 10 I 3.8008 8.2419 125.8091 61.6453 37.3555 176.3559 11 C 4.8244 8.6252 123.3672 56.1382 42.3824 174.4387 12 S 4.5249 9.0305 119.8133 57.7408 64.8854 175.4750 13 L 4.0062 8.4558 121.8544 58.1341 41.0940 178.9573 14 Y 4.1143 8.1153 117.8103 61.0750 38.8291 177.9750 15 Q 4.0922 8.2697 118.7224 58.9855 28.7379 178.7661 16 L 4.2313 8.2042 120.0526 57.8443 41.6350 179.2404 17 E 3.9013 8.3206 118.5771 59.3770 29.0984 178.8009 18 N 4.1474 7.5849 116.0483 55.8659 38.9112 175.3317 19 Y 4.4374 7.9041 116.7101 57.2444 38.4602 175.3500 20 C 4.4519 7.2003 118.2448 59.3115 29.0071 173.5049 21 N 4.5215 8.5799 118.1957 53.7846 38.1129 175.2548 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 G 8.21 3.99 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 0.00 0.00 0.00 2 I 8.02 3.35 0.60 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.07 0.63 0.00 0.00 3 V 7.77 3.49 2.04 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 0.95 0.00 0.00 0.87 0.00 0.00 4 E 8.02 3.92 0.00 2.00 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 2.30 2.37 0.00 5 Q 8.08 4.19 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.54 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 6 C 8.16 5.08 0.00 3.02 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 7 C 7.93 4.51 0.00 3.05 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 8 T 7.93 4.41 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 1.21 0.00 0.00 9 S 7.70 4.78 0.00 3.85 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 10 I 8.24 3.80 1.88 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 1.42 0.47 0.93 0.00 0.00 11 C 8.63 4.82 0.00 2.99 3.08 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 0.00 0.00 0.00 12 S 9.03 4.52 0.00 4.12 4.07 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 13 L 8.46 4.01 0.00 1.78 1.81 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.12 4.11 0.00 2.94 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 Q 8.27 4.09 0.00 2.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.59 0.00 16 L 8.20 4.23 0.00 1.90 1.78 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.32 3.90 0.00 2.04 1.89 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 2.32 2.55 0.00 18 N 7.58 4.15 0.00 2.42 2.18 0.00 0.00 7.15 8.01 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 19 Y 7.90 4.44 0.00 3.20 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 20 C 7.20 4.45 0.00 3.03 2.86 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 21 N 8.58 4.52 0.00 2.71 2.73 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00