NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0047 8.2127 109.7452 45.3927 0.0000 173.7378 2 I 3.4577 7.9668 117.4573 62.8565 37.5053 173.3331 3 V 3.5101 7.8059 119.2756 65.8342 31.3555 176.9496 4 E 3.8917 8.0764 118.5349 59.5407 29.3740 178.6022 5 Q 4.1723 7.9027 116.2977 57.9962 28.9792 176.7327 6 C 4.9956 8.5133 115.2108 56.5855 42.2625 174.1290 7 C 4.4021 7.7579 118.2215 60.9702 32.3927 174.6812 8 A 4.1107 8.8024 122.3673 54.1363 18.0736 176.7236 9 S 4.7729 7.3729 107.4655 55.9672 66.2280 173.4436 10 V 3.7190 8.1190 120.0729 62.5625 31.6172 176.2464 11 C 4.6896 8.5638 127.2524 56.3832 45.6287 172.3693 12 S 4.8383 8.0835 115.3834 55.5549 66.9485 174.5638 13 L 3.9803 8.5091 123.8948 58.3554 41.6468 178.3297 14 Y 3.9309 8.0532 118.0934 60.8538 38.9653 177.6429 15 Q 4.2395 8.2197 119.7446 59.3194 29.2762 178.0799 16 L 4.1941 8.1326 119.9919 57.9983 41.5921 179.3209 17 E 4.0727 8.7479 118.2302 58.7703 29.0755 178.9032 18 N 4.1149 7.5625 115.6542 55.2300 38.5349 175.1963 19 Y 4.5454 7.4076 115.7035 57.7211 38.5609 175.6486 20 C 4.4385 7.4879 118.4767 59.3504 29.0675 173.5289 21 N 4.5257 8.5697 118.6091 53.6950 38.2592 175.2769 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 7.97 3.46 0.62 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.58 0.00 0.00 3 V 7.81 3.51 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 0.96 0.00 0.00 0.87 0.00 0.00 4 E 8.08 3.89 0.00 2.23 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 2.39 2.47 0.00 5 Q 7.90 4.17 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.53 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 6 C 8.51 5.00 0.00 3.07 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 7.76 4.40 0.00 2.89 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 8 A 8.80 4.11 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 7.37 4.77 0.00 3.98 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.12 3.72 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.94 0.00 0.00 11 C 8.56 4.69 0.00 3.15 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.84 0.00 4.08 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 13 L 8.51 3.98 0.00 1.81 1.76 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.05 3.93 0.00 3.06 2.99 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 0.00 0.00 0.00 0.00 15 Q 8.22 4.24 0.00 2.40 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.67 0.00 16 L 8.13 4.19 0.00 1.93 1.76 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.75 4.07 0.00 1.97 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 2.30 2.33 0.00 18 N 7.56 4.11 0.00 2.55 2.21 0.00 0.00 6.89 8.67 0.00 0.00 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 7.41 4.55 0.00 2.99 2.98 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 20 C 7.49 4.44 0.00 2.89 2.85 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 0.00 0.00 0.00 0.00 21 N 8.57 4.53 0.00 2.71 2.72 0.00 0.00 6.81 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