NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9344 8.2127 109.7431 45.0159 0.0000 174.3625 2 I 2.3573 7.4150 117.9657 62.5091 37.5071 172.4972 3 V 3.3967 7.6029 118.9601 65.9814 31.6905 176.7906 4 E 3.7880 8.0787 117.1203 59.0097 29.3981 177.5710 5 Q 4.3472 7.7530 117.6046 57.4440 29.7915 175.9795 6 C 5.0502 8.2530 116.5533 57.0312 40.8210 174.6502 7 C 4.1531 7.7846 117.7391 61.3964 28.2988 175.1185 8 H 4.5924 7.9826 116.7284 56.8963 29.2337 175.5043 9 S 4.8508 7.0145 114.1341 56.1201 65.6925 173.2322 10 I 4.0339 8.2243 123.1840 61.0004 38.3874 175.7908 11 C 5.1894 8.5447 124.9571 55.0553 39.1599 174.6209 12 S 4.5373 9.1777 120.0751 57.6451 65.0517 175.4272 13 L 3.9633 8.2496 121.1450 57.9386 40.9247 179.3872 14 Y 4.0955 7.5328 115.6735 61.2828 37.6909 178.2076 15 Q 4.2020 8.1285 118.7222 58.8005 28.7434 178.9124 16 V 3.8484 7.8457 119.6149 65.9284 31.5072 177.6772 17 E 3.9565 8.6822 119.4937 59.2699 29.1505 178.4265 18 N 4.1920 7.5586 115.1407 56.0281 38.5562 175.7710 19 Y 4.4890 7.6177 115.5664 57.3817 38.3781 175.4011 20 C 4.4483 7.5762 118.6928 59.4695 29.1263 173.2787 21 N 4.5064 8.5080 118.3443 53.9165 38.5655 174.6534 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 3.93 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 0.00 0.00 0.00 2 I 7.42 2.36 0.56 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 1.23 0.94 0.63 0.00 0.00 3 V 7.60 3.40 1.99 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 0.90 0.00 0.00 0.84 0.00 0.00 4 E 8.08 3.79 0.00 1.96 2.16 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 2.31 2.39 0.00 5 Q 7.75 4.35 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.49 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 6 C 8.25 5.05 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 7 C 7.78 4.15 0.00 2.99 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 8 H 7.98 4.59 0.00 3.11 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.01 4.85 0.00 4.06 3.75 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 8.22 4.03 1.89 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 1.44 0.76 0.93 0.00 0.00 11 C 8.54 5.19 0.00 3.00 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 12 S 9.18 4.54 0.00 4.18 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 13 L 8.25 3.96 0.00 1.39 1.49 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.53 4.10 0.00 3.00 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 15 Q 8.13 4.20 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 16 V 7.85 3.85 2.25 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 1.04 0.00 0.00 1.03 0.00 0.00 17 E 8.68 3.96 0.00 2.14 2.16 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 2.36 0.00 18 N 7.56 4.19 0.00 2.45 2.50 0.00 0.00 7.01 7.34 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 7.62 4.49 0.00 3.13 3.00 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 20 C 7.58 4.45 0.00 3.03 2.89 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 0.00 0.00 0.00 21 N 8.51 4.51 0.00 2.69 2.69 0.00 0.00 6.84 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