NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.8759 8.4449 117.8478 54.5889 30.2044 172.8702 2 P 4.2060 0.0000 0.0000 61.7352 31.5161 174.6771 3 L 4.6556 8.7351 120.9372 54.9838 42.3087 176.3187 4 K 4.3477 8.0181 119.3643 56.8464 33.8728 176.7131 5 Q 3.8393 8.1145 118.3626 56.8527 29.2545 173.4205 6 Y 3.3550 7.9426 116.5367 57.8407 34.2837 169.5106 7 W 4.8819 7.5813 120.9736 55.2414 31.3284 176.7621 8 W 5.5365 9.3193 126.6166 58.3933 30.0894 176.3503 9 R 3.5132 9.3605 113.2518 58.5962 30.3365 176.5477 10 P 4.4319 0.0000 0.0000 62.0364 29.2476 173.5910 11 S 3.7791 7.8948 120.4031 57.0877 65.4727 174.4436 12 I 3.8553 7.4955 124.9439 61.2683 37.1325 175.5011 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 4.88 0.00 3.38 3.51 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.21 0.00 2.35 2.13 0.00 3.87 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 3 L 8.74 4.66 0.00 1.62 1.67 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.02 4.35 0.00 1.67 1.77 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.11 1.21 7.81 5 Q 8.11 3.84 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.39 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 6 Y 7.94 3.36 0.00 3.02 2.78 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 7 W 7.58 4.88 0.00 3.57 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.32 5.54 0.00 3.23 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 9 R 9.36 3.51 0.00 1.57 1.63 0.00 2.72 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.04 0.00 10 P 0.00 4.43 0.00 2.15 2.06 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 11 S 7.89 3.78 0.00 3.65 3.31 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 0.00 12 I 7.50 3.86 1.61 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.71 0.78 0.00 0.00