NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.3326 8.1600 109.1447 45.1769 0.0000 174.5920 2 I 3.0829 7.9626 120.9537 62.6975 37.6298 173.2697 3 V 3.4954 8.3300 120.0933 65.9669 31.7877 177.2953 4 E 3.9247 8.0362 117.7973 59.4731 29.1632 179.3159 5 Q 3.9679 7.8292 116.4017 58.8632 29.0088 177.2481 6 C 4.7361 8.3572 114.7622 56.9545 41.5512 174.2552 7 C 4.4490 7.7384 118.6694 61.3780 32.4179 174.8648 8 T 4.0115 8.5666 115.2859 65.8660 68.2624 174.2556 9 S 4.9781 7.4775 116.2660 56.6027 65.5638 172.5535 10 I 4.5797 8.2048 120.9657 60.1211 39.5044 173.9336 11 C 5.2244 8.5071 118.8827 52.9621 40.6333 174.4270 12 S 4.4932 8.8024 117.3601 57.6291 65.0926 175.1279 13 L 3.9865 8.4378 122.6467 58.5641 41.4805 178.1194 14 Y 4.1531 7.9948 118.0174 60.8057 38.7666 177.5362 15 Q 4.1483 8.0667 118.6209 58.9540 28.8812 178.6470 16 L 4.2899 8.0933 120.0326 57.7388 41.8160 178.9025 17 E 4.2749 8.2561 116.9232 58.0911 29.2270 178.5150 18 N 4.3678 7.7538 116.0315 55.2792 38.5445 175.0877 19 Y 4.5286 7.3969 116.0227 57.8084 38.3855 175.4822 20 C 4.5420 7.5253 118.0686 58.9186 29.3765 173.5494 21 N 4.5473 8.5122 117.1891 53.7648 38.2723 175.5172 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 8.16 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 0.00 0.00 0.00 0.00 2 I 7.96 3.08 0.56 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.88 0.62 0.00 0.00 3 V 8.33 3.50 2.04 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 0.98 0.00 0.00 0.87 0.00 0.00 4 E 8.04 3.92 0.00 2.10 1.98 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 2.40 2.46 0.00 5 Q 7.83 3.97 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 6 C 8.36 4.74 0.00 2.95 3.10 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 7 C 7.74 4.45 0.00 2.88 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 8 T 8.57 4.01 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 9 S 7.48 4.98 0.00 4.05 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 I 8.20 4.58 1.87 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 1.47 0.61 0.92 0.00 0.00 11 C 8.51 5.22 0.00 3.20 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 8.80 4.49 0.00 4.15 4.09 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 0.00 0.00 0.00 0.00 13 L 8.44 3.99 0.00 1.82 1.77 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.99 4.15 0.00 2.88 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 15 Q 8.07 4.15 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 16 L 8.09 4.29 0.00 1.97 1.81 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.26 4.27 0.00 2.22 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 2.36 2.64 0.00 18 N 7.75 4.37 0.00 2.47 2.28 0.00 0.00 6.87 7.12 0.00 0.00 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 7.40 4.53 0.00 3.19 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 7.53 4.54 0.00 3.02 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 8.51 4.55 0.00 2.72 2.73 0.00 0.00 6.76 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