NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8977 8.3549 109.7371 45.5476 0.0000 172.0863 2 I 4.0533 8.1013 121.0841 60.0654 37.8646 174.9736 3 G 4.3209 8.3723 113.3963 44.0937 0.0000 171.5610 4 D 4.8528 7.7135 117.9888 50.3297 43.3831 173.9646 5 P 4.2655 0.0000 0.0000 65.5780 31.3809 179.3280 6 V 3.5780 7.8006 116.7744 66.3344 31.4567 178.0605 7 T 3.9266 8.5398 115.8361 66.5605 68.0842 175.7408 8 C 4.2224 8.0238 119.8892 59.9228 44.8070 175.8239 9 L 4.0787 8.1049 120.4822 57.6209 40.9552 179.6013 10 K 4.0398 8.3852 118.5373 59.1192 32.0482 178.6420 11 S 4.4406 7.7158 112.1443 58.8380 63.2502 175.0365 12 G 3.7784 8.0510 110.7331 45.5659 0.0000 173.2606 13 A 4.7706 7.3939 122.1738 50.7640 20.7383 176.9685 14 I 4.5172 8.7010 111.7284 59.5929 40.8380 174.2159 15 C 5.1671 8.5861 120.8529 55.7854 38.7397 172.6794 16 H 4.7386 8.9830 124.1627 53.3847 32.4212 171.0255 17 P 4.4207 0.0000 0.0000 63.9025 31.5187 176.1447 18 V 3.9159 9.6077 128.3984 63.2079 31.8625 171.5137 19 F 4.8984 7.2772 110.0726 55.9331 40.5632 173.4949 20 C 4.5322 8.6264 118.7523 54.3542 41.6655 172.5694 21 P 4.8122 0.0000 0.0000 61.7617 31.8300 175.3002 22 R 3.9546 8.4496 117.8685 58.4730 29.9216 176.0950 23 R 4.2881 9.0369 123.0036 56.3075 28.8969 175.4603 24 Y 4.4675 8.0319 114.7865 57.0880 39.0216 175.3542 25 K 4.7664 8.7809 121.9701 54.3669 35.7720 175.3089 26 Q 4.7054 8.7392 125.1107 56.2088 29.4782 175.4555 27 I 4.4762 9.7462 118.4091 59.8353 38.9831 176.3840 28 G 3.9197 6.8299 109.3209 46.5361 0.0000 171.0731 29 T 5.2242 8.1329 110.0562 59.3418 71.6601 172.7422 30 C 4.7165 8.4033 116.5084 56.7769 40.7540 175.0231 31 G 4.3416 8.1485 113.4182 45.7790 0.0000 175.4995 32 L 4.1677 7.4091 119.6075 53.0734 42.3530 174.7975 33 P 4.3778 0.0000 0.0000 64.3391 31.7462 177.1384 34 G 3.9477 8.9539 109.4429 45.9885 0.0000 173.0679 35 T 4.4510 7.8496 111.4810 61.5029 70.1601 173.6352 36 K 4.6685 9.1431 124.7085 54.7107 35.3097 174.2775 37 C 5.0341 8.9204 125.3323 55.9920 44.1071 171.6372 38 C 5.7639 9.2630 123.3700 55.2740 45.4012 173.0653 39 K 5.1486 9.2268 123.2331 54.7877 35.8569 175.1496 40 K 4.4068 8.1538 125.9731 54.9370 32.8208 175.3957 41 P 4.3662 0.0000 0.0000 62.8350 31.3255 176.2383 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 8.35 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.05 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 1.35 0.77 0.97 0.00 0.00 3 G 8.37 4.32 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 0.00 4 D 7.71 4.85 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.26 0.00 6 V 7.80 3.58 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 1.06 0.00 0.00 0.93 0.00 0.00 7 T 8.54 3.93 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 8 C 8.02 4.22 0.00 3.11 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.10 4.08 0.00 1.73 1.70 0.94 0.81 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 10 K 8.39 4.04 0.00 1.89 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.58 7.81 11 S 7.72 4.44 0.00 3.99 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 12 G 8.05 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 13 A 7.39 4.77 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.70 4.52 1.76 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 0.90 0.00 0.00 15 C 8.59 5.17 0.00 2.82 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 16 H 8.98 4.74 0.00 2.91 2.96 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.42 0.00 1.92 1.93 0.00 3.46 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 18 V 9.61 3.92 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.99 0.00 0.00 19 F 7.28 4.90 0.00 3.09 2.93 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 20 C 8.63 4.53 0.00 3.06 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.81 0.00 2.28 2.24 0.00 3.39 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 22 R 8.45 3.95 0.00 1.86 2.02 0.00 3.30 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 23 R 9.04 4.29 0.00 2.08 2.06 0.00 3.14 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 24 Y 8.03 4.47 0.00 3.05 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 25 K 8.78 4.77 0.00 1.69 1.69 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.34 7.81 26 Q 8.74 4.71 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 27 I 9.75 4.48 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.87 0.93 0.00 0.00 28 G 6.83 3.92 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 0.00 0.00 0.00 29 T 8.13 5.22 4.38 0.00 0.00 0.00 0.00 0.00 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 30 C 8.40 4.72 0.00 2.93 3.09 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 31 G 8.15 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.41 4.17 0.00 1.71 1.59 0.91 1.06 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 33 P 0.00 4.38 0.00 2.03 2.02 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 34 G 8.95 3.95 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 0.00 0.00 0.00 35 T 7.85 4.45 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 36 K 9.14 4.67 0.00 1.65 1.72 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.35 1.51 7.81 37 C 8.92 5.03 0.00 3.15 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 38 C 9.26 5.76 0.00 2.85 3.03 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 0.00 39 K 9.23 5.15 0.00 1.83 1.61 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.46 7.81 40 K 8.15 4.41 0.00 1.41 1.48 0.00 1.58 0.00 0.00 1.92 0.00 0.00 2.40 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.60 0.21 7.81 41 P 0.00 4.37 0.00 2.01 1.94 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00