NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9969 8.2127 109.7432 45.3491 0.0000 173.5970 2 I 3.1248 8.0829 118.8701 62.4477 37.5554 173.2991 3 V 3.4666 7.7221 118.9491 65.9082 31.7012 176.9781 4 E 3.9179 8.0362 117.2649 59.5368 29.5988 178.3556 5 Q 4.2271 8.2330 117.1200 57.9760 28.9519 176.1847 6 C 5.1968 8.1763 113.2095 55.9153 41.5781 174.0370 7 C 4.4679 8.0718 116.7674 59.6575 28.4627 174.1926 8 T 4.5567 7.8324 108.3757 61.3844 70.5708 174.3917 9 S 4.6994 7.6165 117.0673 56.1566 66.7305 173.2166 10 I 3.8307 8.3147 125.0918 61.6087 37.3929 176.4220 11 C 4.8108 8.5995 123.2414 56.0846 40.0306 174.4340 12 S 4.5092 9.0280 119.9099 57.6601 64.8373 175.4114 13 L 4.0040 8.4670 121.4893 58.2311 41.0529 179.1631 14 Y 4.1979 8.0211 117.7350 60.8892 39.0253 177.7195 15 Q 3.8802 8.1731 118.9393 58.9056 28.7604 178.7160 16 L 4.2058 8.3647 120.4026 57.9229 41.6353 179.3444 17 E 3.9354 8.3922 118.6651 59.2797 29.0758 178.6017 18 N 3.9589 7.3144 116.1777 56.4641 39.0433 175.3479 19 Y 4.4041 7.9522 115.7456 57.1919 38.3652 175.4516 20 C 4.5179 7.1510 118.2169 59.2504 29.0234 173.5078 21 N 4.5227 8.5815 117.9587 53.8084 38.1000 175.2791 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 3.12 0.77 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.04 0.66 0.00 0.00 3 V 7.72 3.47 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 0.95 0.00 0.00 0.87 0.00 0.00 4 E 8.04 3.92 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 5 Q 8.23 4.23 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.50 0.00 0.00 0.00 0.00 0.00 2.67 2.67 0.00 6 C 8.18 5.20 0.00 2.93 3.03 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 0.00 0.00 0.00 0.00 7 C 8.07 4.47 0.00 3.10 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 4.56 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 1.21 0.00 0.00 9 S 7.62 4.70 0.00 3.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.31 3.83 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 0.92 0.00 0.00 11 C 8.60 4.81 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 9.03 4.51 0.00 4.12 4.07 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 13 L 8.47 4.00 0.00 1.77 1.82 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.02 4.20 0.00 2.90 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.88 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 16 L 8.36 4.21 0.00 1.87 1.78 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.39 3.94 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 18 N 7.31 3.96 0.00 2.21 2.29 0.00 0.00 7.17 8.85 0.00 0.00 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 7.95 4.40 0.00 3.04 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 7.15 4.52 0.00 3.05 2.87 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 0.00 0.00 0.00 21 N 8.58 4.52 0.00 2.72 2.74 0.00 0.00 6.80 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