NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.3202 8.3449 119.6846 54.4173 31.3463 174.2086 2 N 4.7581 7.8320 115.1912 50.8980 41.6186 172.8203 3 G 4.2386 8.7209 111.8922 44.0503 0.0000 171.0527 4 Y 4.6739 8.4130 118.1931 56.0525 41.8458 174.4537 5 E 4.4876 8.7594 124.6454 54.5884 31.7504 175.1360 6 N 4.7847 8.3337 123.0543 51.0950 38.3091 173.5039 7 P 4.4838 0.0000 0.0000 65.7135 31.4947 178.5138 8 T 4.4509 8.3936 115.9477 66.1504 68.4098 175.9096 9 Y 4.2995 8.4498 121.9518 60.8608 38.7161 178.2319 10 K 3.9292 8.5074 118.7113 59.9806 31.9551 178.8926 11 F 3.9847 7.8398 115.7907 59.4912 38.8294 176.0086 12 F 4.6876 7.9270 113.9203 56.6951 40.5720 174.7973 13 E 3.8266 7.6901 126.4143 56.2368 29.2793 176.0595 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 8.34 4.32 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 2 N 7.83 4.76 0.00 2.84 2.76 0.00 0.00 6.60 6.81 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 G 8.72 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 0.00 0.00 0.00 0.00 4 Y 8.41 4.67 0.00 2.85 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 5 E 8.76 4.49 0.00 1.93 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 6 N 8.33 4.78 0.00 2.87 2.79 0.00 0.00 6.82 7.81 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 P 0.00 4.48 0.00 2.36 2.30 0.00 3.90 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 8 T 8.39 4.45 4.51 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 1.47 0.00 0.00 9 Y 8.45 4.30 0.00 3.15 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 10 K 8.51 3.93 0.00 1.26 1.51 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.54 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.65 7.81 11 F 7.84 3.98 0.00 2.84 2.62 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 F 7.93 4.69 0.00 2.88 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 13 E 7.69 3.83 0.00 1.21 1.76 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 2.24 2.20 0.00