NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3536 8.3033 118.7977 56.5133 31.7933 177.8280 2 Q 3.7495 8.2203 117.4780 57.7160 29.1339 176.2668 3 R 4.0395 8.4198 119.4584 58.9525 31.7396 177.7777 4 A 4.0096 8.0726 120.5061 55.2955 18.9457 179.2022 5 S 4.1173 8.3438 110.3944 61.1125 62.4577 174.6425 6 P 4.3290 0.0000 0.0000 65.8571 30.9731 178.3541 7 V 3.6053 7.7183 117.5178 66.1061 31.4158 178.0513 8 T 3.8781 8.0782 115.4523 66.6526 68.2463 176.1504 9 F 3.9820 8.4008 122.4209 61.3794 39.3592 177.1842 10 I 3.6497 8.0589 119.2604 64.3966 36.8045 178.2745 11 I 3.6259 7.8457 120.2794 64.5286 37.0041 178.1930 12 A 3.9316 8.0354 121.3609 55.4686 18.0644 179.8360 13 T 3.5618 7.7769 114.3695 66.6337 68.5594 177.2373 14 V 3.5814 7.6645 121.0009 64.9991 31.2707 178.7919 15 V 3.7188 7.6259 113.4846 63.8218 31.3655 178.6968 16 G 3.6125 7.9765 105.5034 47.8224 0.0000 175.8041 17 V 3.6150 7.8882 121.1155 65.4869 31.6431 177.6697 18 L 3.9579 7.9619 119.9631 58.3251 41.9072 178.8975 19 L 3.9994 8.1195 118.8734 57.7012 41.5567 179.2849 20 F 3.9833 8.4398 120.7397 61.2406 39.3701 177.1479 21 L 4.0242 8.2455 119.4862 58.9940 40.1212 179.2031 22 I 3.6732 7.7158 120.4270 64.0832 36.9553 178.3934 23 L 3.9422 7.8383 118.9324 57.5122 41.9628 179.4684 24 V 3.5580 7.2122 117.4632 65.5921 31.5951 178.1015 25 V 3.3281 7.2638 118.1640 65.9859 31.6133 177.9092 26 V 3.6187 7.3734 120.0524 65.4741 32.3427 176.8637 27 V 4.2646 7.7174 115.5183 59.0339 30.0894 174.6569 28 G 3.8344 6.4920 115.8787 45.5590 0.0000 174.9324 29 I 3.6195 7.8032 119.5934 63.5937 37.6710 178.5224 30 L 3.9677 8.1740 121.4952 58.1585 41.6953 178.8985 31 I 3.6556 7.4017 118.5048 64.2152 37.0742 177.8630 32 K 4.0249 7.6437 119.1794 59.4511 32.0667 178.4106 33 R 4.0516 7.7925 117.8356 58.9317 31.4428 178.1938 34 R 4.3711 7.8777 118.8603 54.8658 26.8867 176.7506 35 R 4.2036 7.5271 118.1287 56.1629 29.7101 176.2684 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 E 8.30 4.35 0.00 2.16 2.28 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 2.26 2.34 0.00 2 Q 8.22 3.75 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 3 R 8.42 4.04 0.00 1.89 1.91 0.00 3.24 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 4 A 8.07 4.01 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 5 S 8.34 4.12 0.00 3.95 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 6 P 0.00 4.33 0.00 2.32 2.28 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.07 0.00 7 V 7.72 3.61 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 8 T 8.08 3.88 4.41 0.00 0.00 0.00 0.00 0.00 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 F 8.40 3.98 0.00 3.15 3.22 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 10 I 8.06 3.65 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.86 0.92 0.00 0.00 11 I 7.85 3.63 1.86 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 1.45 0.94 0.90 0.00 0.00 12 A 8.04 3.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.78 3.56 4.03 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 0.00 0.00 1.08 0.00 0.00 14 V 7.66 3.58 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 0.92 0.00 0.00 0.92 0.00 0.00 15 V 7.63 3.72 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 0.72 0.00 0.00 0.97 0.00 0.00 16 G 7.98 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 7.89 3.61 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 0.99 0.00 0.00 0.90 0.00 0.00 18 L 7.96 3.96 0.00 1.92 1.85 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.12 4.00 0.00 1.77 1.74 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.44 3.98 0.00 3.24 3.17 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 0.00 0.00 0.00 21 L 8.25 4.02 0.00 1.99 2.02 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.72 3.67 1.86 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 1.51 0.64 0.89 0.00 0.00 23 L 7.84 3.94 0.00 1.68 1.67 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.21 3.56 1.04 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 0.62 0.00 0.00 0.74 0.00 0.00 25 V 7.26 3.33 2.17 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 0.93 0.00 0.00 0.84 0.00 0.00 26 V 7.37 3.62 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.96 0.00 0.00 27 V 7.72 4.26 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 0.68 0.00 0.00 1.00 0.00 0.00 28 G 6.49 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.80 3.62 1.82 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.90 0.00 0.00 30 L 8.17 3.97 0.00 1.81 1.83 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.40 3.66 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.90 0.89 0.00 0.00 32 K 7.64 4.02 0.00 1.78 2.07 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 33 R 7.79 4.05 0.00 1.85 2.11 0.00 3.30 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 34 R 7.88 4.37 0.00 1.80 1.87 0.00 3.15 0.00 0.00 3.27 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 35 R 7.53 4.20 0.00 1.85 1.83 0.00 3.06 0.00 0.00 3.40 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00