NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3725 8.3331 119.6810 55.8319 31.1316 175.3461 2 G 4.1161 7.9093 117.1404 42.6127 0.0000 173.9108 3 P 4.2254 0.0000 0.0000 61.5823 32.4515 171.7558 4 P 4.6167 0.0000 0.0000 62.7168 31.7293 175.1090 5 Y 4.9105 6.8508 114.7800 55.9172 40.9165 172.2993 6 P 4.5549 0.0000 0.0000 63.0632 31.8517 176.7322 7 T 4.6390 8.3139 109.0673 61.2464 70.4520 173.8367 8 Y 4.3406 8.2739 123.1781 57.5038 38.9996 174.5115 9 P 4.2728 0.0000 0.0000 65.0294 31.9428 178.2298 10 G 2.4845 7.6943 106.6329 47.5187 0.0000 173.9893 11 Y 4.3981 7.5935 123.8390 55.1454 39.4316 172.7475 12 P 4.3076 0.0000 0.0000 61.0680 30.7279 175.7233 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 Q 8.33 4.37 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 2 G 7.91 4.12 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 0.00 0.00 0.00 3 P 0.00 4.23 0.00 0.49 1.51 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 4 P 0.00 4.62 0.00 2.22 2.14 0.00 3.31 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 5 Y 6.85 4.91 0.00 2.97 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 6 P 0.00 4.55 0.00 2.16 2.12 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 7 T 8.31 4.64 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 1.25 0.00 0.00 8 Y 8.27 4.34 0.00 2.85 2.99 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 9 P 0.00 4.27 0.00 1.85 1.99 0.00 3.50 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.02 0.00 10 G 7.69 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 0.00 0.00 0.00 11 Y 7.59 4.40 0.00 2.88 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 1.90 1.88 0.00 3.05 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00