NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0068 8.2127 109.7432 44.9090 0.0000 175.8021 2 I 3.1518 8.5440 120.6564 63.2493 37.5674 172.3682 3 V 3.5222 8.4489 119.8867 66.1719 31.5969 177.2756 4 E 3.9827 8.0120 116.4401 59.4719 29.4635 178.6797 5 Q 4.1770 8.2146 118.7507 58.3335 29.2826 176.3406 6 C 5.1466 8.1856 115.1307 55.7509 41.9363 174.1365 7 C 4.2891 8.1123 117.4148 59.9764 28.8093 174.5629 8 T 4.3412 7.8584 109.0440 62.6225 69.5821 174.9607 9 S 4.6903 7.4831 114.3820 55.9910 66.1111 173.1277 10 I 3.8614 8.2649 122.9227 61.7625 37.4194 176.3547 11 C 5.0137 8.4940 122.5248 55.5502 43.0678 174.4673 12 S 4.5166 9.1557 119.4033 57.8225 64.9618 175.5228 13 L 3.9160 8.2499 122.1556 58.1837 41.0382 179.3684 14 Y 4.3054 7.4568 115.4088 61.2456 38.2378 178.3018 15 Q 4.2155 8.3008 118.9737 59.0306 28.7865 178.7392 16 L 4.3065 8.2615 120.0612 57.6759 41.6149 178.9826 17 E 3.9751 8.4719 119.1992 59.0566 29.1940 178.4790 18 N 4.2822 7.8404 115.3603 56.1558 38.5615 175.7148 19 Y 4.4444 7.8286 115.6870 57.4220 38.5628 175.6529 20 C 4.4174 7.3198 118.4926 59.2970 28.9828 173.5377 21 N 4.5191 8.6938 118.5963 53.8538 38.0699 175.1145 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 4.01 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 0.00 0.00 0.00 2 I 8.54 3.15 0.76 0.00 0.00 0.29 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 0.74 0.67 0.00 0.00 3 V 8.45 3.52 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 0.99 0.00 0.00 0.88 0.00 0.00 4 E 8.01 3.98 0.00 2.12 2.01 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 2.32 2.43 0.00 5 Q 8.21 4.18 0.00 2.21 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 6 C 8.19 5.15 0.00 3.01 3.04 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 0.00 0.00 0.00 7 C 8.11 4.29 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 8 T 7.86 4.34 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 7.48 4.69 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.86 1.88 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 1.41 0.54 0.91 0.00 0.00 11 C 8.49 5.01 0.00 2.98 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 12 S 9.16 4.52 0.00 4.06 4.05 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 13 L 8.25 3.92 0.00 1.34 1.57 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.46 4.31 0.00 3.00 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 15 Q 8.30 4.22 0.00 2.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 16 L 8.26 4.31 0.00 1.89 1.79 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.47 3.98 0.00 2.29 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 0.00 2.35 2.40 0.00 18 N 7.84 4.28 0.00 2.46 2.45 0.00 0.00 6.99 7.10 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 19 Y 7.83 4.44 0.00 3.04 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 20 C 7.32 4.42 0.00 3.07 2.89 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 21 N 8.69 4.52 0.00 2.72 2.75 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