NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0011 8.2127 109.7468 44.3501 0.0000 175.0255 2 I 3.1617 7.5999 121.7853 63.2213 38.0177 172.6158 3 V 3.4875 8.4840 113.3481 63.0639 32.3637 176.5273 4 E 4.5021 9.2328 117.3655 56.4428 30.0657 177.5362 5 Q 4.0311 7.9533 119.1373 58.2979 29.8621 177.4207 6 C 4.6061 7.5742 116.6941 59.2197 40.6889 175.6174 7 C 4.0326 7.8561 118.5024 62.9402 31.2828 174.4585 8 T 4.4368 7.1452 111.2623 62.4507 68.2798 175.5594 9 S 4.6465 6.2740 114.0429 58.9739 68.6243 175.8450 10 I 4.4367 8.3002 121.3431 59.8911 38.7157 173.5405 11 C 5.0822 8.6798 120.1144 53.4839 44.8403 173.7035 12 S 4.7357 8.1021 115.9183 56.7177 65.2380 174.4056 13 L 4.0420 8.3681 118.4905 57.6450 41.5839 178.4931 14 Y 4.0109 7.9648 118.1662 59.3853 39.4111 176.8888 15 Q 4.2994 8.1194 118.9193 58.6248 29.1493 177.4850 16 L 4.3723 8.3661 120.6369 57.1403 42.0735 178.3965 17 E 4.0943 7.8046 118.3466 59.0843 28.9601 177.9866 18 N 4.5190 7.4809 114.1566 53.8143 38.0266 175.0394 19 Y 4.7217 7.5954 114.4985 57.5152 41.5606 176.9524 20 C 4.3421 7.7537 113.6762 60.4001 27.4723 173.6507 21 N 4.4776 9.3488 126.8737 54.5718 38.0658 174.3484 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 7.60 3.16 0.56 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.09 0.54 0.00 0.00 3 V 8.48 3.49 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 0.86 0.00 0.00 0.96 0.00 0.00 4 E 9.23 4.50 0.00 1.82 1.96 0.00 0.00 0.00 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 2.29 0.00 5 Q 7.95 4.03 0.00 2.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 6 C 7.57 4.61 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 7 C 7.86 4.03 0.00 2.91 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 8 T 7.15 4.44 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 9 S 6.27 4.65 0.00 3.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.44 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 1.47 0.67 0.92 0.00 0.00 11 C 8.68 5.08 0.00 3.25 3.16 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 0.00 0.00 0.00 12 S 8.10 4.74 0.00 4.09 4.10 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 0.00 0.00 0.00 13 L 8.37 4.04 0.00 1.80 1.80 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.96 4.01 0.00 3.01 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 8.12 4.30 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 16 L 8.37 4.37 0.00 2.04 1.70 0.84 1.10 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 17 E 7.80 4.09 0.00 1.83 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 18 N 7.48 4.52 0.00 2.19 2.38 0.00 0.00 6.56 7.25 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 19 Y 7.60 4.72 0.00 3.13 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 7.75 4.34 0.00 2.88 2.22 0.00 0.00 0.00 0.00 0.00 0.00 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 9.35 4.48 0.00 2.68 2.72 0.00 0.00 6.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00