NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7051 8.3249 119.2717 57.7649 41.2453 176.2525 2 Q 3.9705 8.4800 118.5054 56.5817 28.8821 175.2370 3 W 4.7766 8.0148 113.4833 55.1680 32.3279 174.7758 4 Q 3.8612 9.0374 117.8755 56.1642 28.2074 176.9973 5 R 4.6984 8.5983 112.6951 53.3167 30.7463 175.5544 6 N 4.5255 8.0134 113.4357 53.6760 39.9463 173.7446 7 I 3.0100 7.8811 125.8590 62.9879 37.8627 177.1786 8 R 3.9377 7.4129 123.6835 55.6671 28.8358 176.7658 9 K 4.2548 8.1705 125.9265 55.3605 30.5463 175.7457 10 V 4.2496 7.7030 120.1567 63.1812 34.3905 175.4925 11 R 4.1275 7.9804 121.8427 56.3893 29.9734 176.1011 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 F 8.32 4.71 0.00 3.10 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 2 Q 8.48 3.97 0.00 2.41 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.93 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 3 W 8.01 4.78 0.00 3.33 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.04 3.86 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 7.57 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 5 R 8.60 4.70 0.00 1.75 1.87 0.00 3.28 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 6 N 8.01 4.53 0.00 2.74 2.74 0.00 0.00 7.33 7.95 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 7 I 7.88 3.01 1.55 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 -0.18 0.00 0.00 8 R 7.41 3.94 0.00 1.86 1.90 0.00 2.99 0.00 0.00 3.11 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 9 K 8.17 4.25 0.00 1.69 1.75 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.41 7.81 10 V 7.70 4.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.91 0.00 0.00 11 R 7.98 4.13 0.00 1.82 1.83 0.00 3.33 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00