NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9895 8.2127 109.7428 45.4099 0.0000 173.5384 2 I 3.4661 8.2199 118.8658 62.5233 37.5956 173.4603 3 V 3.5130 8.4223 120.0329 66.1517 31.7131 177.3235 4 E 3.9684 8.0644 116.3650 59.3071 29.3722 178.7672 5 Q 4.1479 8.2395 119.0520 58.6628 29.3781 176.5002 6 C 5.0633 8.2973 115.2892 56.1638 41.5759 174.2325 7 C 4.1971 8.1156 117.4730 60.8143 28.8217 175.2985 8 T 4.1782 7.9748 115.8090 65.7072 68.2015 175.0221 9 S 4.7105 7.5417 115.1396 56.0062 66.9755 173.1568 10 I 3.8968 8.3446 122.9254 61.6331 38.1629 175.8965 11 C 4.9803 8.5643 125.2730 55.5508 42.2482 174.4392 12 S 4.4944 8.9340 119.6081 58.0948 64.7228 175.4544 13 L 3.9730 8.5632 122.4393 58.0687 41.0374 179.3025 14 Y 3.9511 7.9735 118.3506 60.8533 38.7646 177.6112 15 Q 4.1706 8.3890 118.9364 59.0407 28.7466 178.8049 16 L 4.2024 8.2866 120.1977 57.8297 41.6477 179.1104 17 E 3.8853 8.1925 119.0585 58.9076 29.1830 178.2288 18 N 4.1015 7.4434 115.9631 56.3028 38.6897 175.2717 19 Y 4.4070 8.0883 116.3955 57.2673 38.4122 175.3882 20 C 4.3654 7.1934 118.3684 59.3255 28.9749 173.5182 21 N 4.5096 8.6313 118.4686 53.8128 38.0750 175.1597 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 3.99 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 0.00 0.00 0.00 2 I 8.22 3.47 1.17 0.00 0.00 -0.00 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 1.44 0.71 0.00 0.00 3 V 8.42 3.51 2.06 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 1.00 0.00 0.00 0.89 0.00 0.00 4 E 8.06 3.97 0.00 2.11 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 2.32 0.00 5 Q 8.24 4.15 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 6 C 8.30 5.06 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 7 C 8.12 4.20 0.00 3.14 2.96 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 0.00 0.00 0.00 8 T 7.97 4.18 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 9 S 7.54 4.71 0.00 3.83 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 3.90 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 1.43 0.75 0.92 0.00 0.00 11 C 8.56 4.98 0.00 3.03 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 8.93 4.49 0.00 4.13 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 8.56 3.97 0.00 1.76 1.81 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.97 3.95 0.00 2.97 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 8.39 4.17 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 16 L 8.29 4.20 0.00 1.86 1.77 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.19 3.89 0.00 2.08 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 18 N 7.44 4.10 0.00 2.50 2.48 0.00 0.00 7.15 7.21 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 19 Y 8.09 4.41 0.00 3.05 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 20 C 7.19 4.37 0.00 3.03 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.63 4.51 0.00 2.71 2.74 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