NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9772 8.3544 109.7437 45.9807 0.0000 172.3216 2 I 4.0753 7.6860 114.5435 60.2564 43.8005 171.3644 3 V 3.5854 7.8821 119.2911 65.4205 32.1865 176.9598 4 E 3.9047 8.0351 118.0844 59.3390 29.6589 178.4485 5 Q 4.1402 8.0409 115.5963 58.6379 29.3010 177.8637 6 C 4.6385 7.5259 117.7689 58.4611 41.0202 174.5877 7 C 4.2781 8.4618 117.7135 60.7099 31.1645 174.5351 8 T 4.2885 7.6739 113.1200 64.2348 67.4010 175.8029 9 S 4.6061 7.1884 115.3851 58.0560 64.7707 171.9829 10 I 3.5077 7.6590 124.3287 61.2459 37.2415 172.9002 11 C 4.8061 8.3382 120.2232 55.2014 37.3624 173.4209 12 S 4.4938 8.2996 115.0051 57.5704 63.2157 174.4707 13 L 3.8481 8.4495 126.4657 58.7599 41.4844 179.1584 14 Y 4.3202 7.4081 114.3659 60.8963 37.9488 178.0526 15 Q 4.1745 8.0177 119.2566 58.8760 28.7748 178.4899 16 L 4.2851 7.9286 119.6023 57.8013 41.7369 179.0779 17 E 3.9816 8.1352 118.0115 59.3008 29.1240 178.8261 18 N 4.3702 7.6561 115.3352 54.9839 38.6283 175.1649 19 Y 4.6554 7.5201 116.4183 57.6919 39.0440 175.6460 20 C 4.3898 7.5795 120.3511 59.0594 32.3827 172.7434 21 N 4.5899 8.5321 122.1732 53.7632 38.8211 174.0057 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 8.35 3.98 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 7.69 4.08 0.87 0.00 0.00 0.42 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 0.47 0.68 0.00 0.00 3 V 7.88 3.59 2.03 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 1.03 0.00 0.00 0.85 0.00 0.00 4 E 8.04 3.90 0.00 1.98 1.95 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 2.28 2.31 0.00 5 Q 8.04 4.14 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.01 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 6 C 7.53 4.64 0.00 2.87 3.14 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 8.46 4.28 0.00 2.93 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 8 T 7.67 4.29 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 1.30 0.00 0.00 9 S 7.19 4.61 0.00 3.83 3.77 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 7.66 3.51 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.21 0.91 0.00 0.00 11 C 8.34 4.81 0.00 2.99 3.07 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 8.30 4.49 0.00 3.89 3.89 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 13 L 8.45 3.85 0.00 1.55 1.08 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.41 4.32 0.00 3.03 2.93 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 15 Q 8.02 4.17 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 16 L 7.93 4.29 0.00 1.85 1.79 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.14 3.98 0.00 2.24 2.04 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 2.47 2.56 0.00 18 N 7.66 4.37 0.00 2.02 2.42 0.00 0.00 6.86 7.26 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 7.52 4.66 0.00 3.10 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 20 C 7.58 4.39 0.00 2.96 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 21 N 8.53 4.59 0.00 2.70 2.63 0.00 0.00 6.90 7.58 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