NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9739 8.2127 109.7447 45.3216 0.0000 175.9622 2 I 3.2912 7.9014 122.4357 62.6906 37.8786 171.9729 3 V 3.5760 7.4844 119.0545 65.9377 30.9312 177.2777 4 E 4.0269 7.9813 116.9868 59.2762 29.3899 178.6917 5 Q 3.9153 8.1449 119.6961 58.8908 29.3988 176.8021 6 C 4.8500 9.9671 113.1269 57.0145 40.8024 173.8943 7 C 4.4344 8.3969 118.1585 59.7327 28.9521 174.4879 8 T 4.3893 7.2554 109.8111 62.2363 69.5231 174.8986 9 S 4.6784 7.4973 114.2635 56.3888 65.9354 173.5645 10 I 3.9305 8.1904 122.7930 61.5365 37.5504 176.3934 11 C 4.9965 8.5540 122.2052 55.7867 40.2813 174.1933 12 S 4.8242 8.2052 117.2613 57.3080 65.6744 175.4422 13 L 3.9855 8.6609 122.6942 58.3146 41.0938 179.5863 14 Y 3.8236 8.4604 115.1590 61.2680 38.2633 178.0751 15 Q 4.2151 9.2896 120.0558 58.9312 28.8098 178.9081 16 L 4.2508 8.4144 120.5445 57.7137 41.6111 179.0265 17 E 4.1082 8.1747 118.0536 58.7496 29.1187 178.4564 18 N 4.5111 7.8818 115.0738 54.8267 38.6996 175.1392 19 Y 4.5420 7.5259 116.7015 57.8222 38.2070 175.4731 20 C 4.5334 7.5516 118.0018 58.9190 29.3992 173.6109 21 N 4.5384 8.4971 117.2383 53.7524 38.2736 175.5074 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 3.97 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 0.00 0.00 0.00 2 I 7.90 3.29 1.38 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.83 0.75 0.00 0.00 3 V 7.48 3.58 2.05 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 0.98 0.00 0.00 0.88 0.00 0.00 4 E 7.98 4.03 0.00 2.24 2.19 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 2.37 2.38 0.00 5 Q 8.14 3.92 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.60 2.54 0.00 6 C 9.97 4.85 0.00 2.97 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 7 C 8.40 4.43 0.00 3.00 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 8 T 7.26 4.39 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 7.50 4.68 0.00 3.95 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 3.93 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 0.54 0.93 0.00 0.00 11 C 8.55 5.00 0.00 2.98 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 8.21 4.82 0.00 4.35 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 8.66 3.99 0.00 1.82 1.48 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.46 3.82 0.00 2.99 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 9.29 4.22 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.79 0.00 0.00 0.00 0.00 0.00 2.47 2.69 0.00 16 L 8.41 4.25 0.00 1.87 1.75 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.17 4.11 0.00 2.12 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 2.23 2.37 0.00 18 N 7.88 4.51 0.00 2.56 2.60 0.00 0.00 6.89 8.43 0.00 0.00 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 7.53 4.54 0.00 2.94 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 20 C 7.55 4.53 0.00 3.00 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 8.50 4.54 0.00 2.71 2.72 0.00 0.00 6.77 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