NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3047 8.2644 123.5822 52.1458 19.8573 175.6143 2 V 4.3642 7.8770 120.6471 58.9057 35.0109 172.8779 3 Q 4.1689 8.5976 120.7305 56.2679 29.9571 176.0555 4 Q 4.5082 8.4447 119.4746 56.4593 29.9259 175.0061 5 N 4.8852 7.4960 112.8095 52.0544 42.5731 174.0339 6 K 4.2710 8.4241 122.4154 54.8950 31.9768 174.9567 7 P 4.2247 0.0000 0.0000 63.0297 31.8528 177.1785 8 T 4.0147 8.4371 117.3235 61.7895 69.1448 174.8824 9 R 3.9475 8.6636 123.6967 60.2769 29.4200 178.0491 10 S 4.0418 8.2782 113.2029 60.5197 62.3692 175.5661 11 K 3.8815 7.9059 121.1673 60.1414 32.1454 177.8631 12 R 3.9471 7.9567 117.9082 59.7424 29.9003 178.0810 13 G 3.8479 8.1473 104.1694 48.5962 0.0000 175.0492 14 M 4.0321 7.3473 118.9995 57.7336 31.8783 178.6664 15 R 4.1644 8.4347 119.1226 59.1222 30.3340 177.8412 16 R 4.6232 7.8993 116.6929 56.5367 29.6712 178.1688 17 S 4.0295 7.6153 113.8569 62.7440 62.7640 175.1490 18 H 4.3568 7.7084 119.4127 56.9268 28.7785 176.8365 19 D 4.5753 7.8571 118.5715 55.0705 40.4919 176.1642 20 A 4.0921 7.4365 122.9661 51.9426 18.9707 177.1047 21 L 4.4474 8.0507 119.6332 54.0422 43.1984 175.8555 22 T 4.5982 8.0259 113.9023 60.3674 70.7368 174.9178 23 A 4.8903 7.7983 131.7521 51.7552 16.7612 180.0470 24 V 4.4150 8.2803 110.1785 62.9647 35.5934 174.7826 25 T 3.4735 8.7822 108.4747 62.2084 67.3917 168.8387 26 S 4.1033 7.4219 121.0057 58.8152 64.9034 170.5482 27 L 4.7014 8.0228 129.5812 54.6077 40.4246 176.5574 28 S 4.8549 8.7790 119.8054 57.9384 66.3586 173.0139 29 V 4.8798 8.1741 123.4363 59.6663 33.3866 174.9408 30 D 4.5187 8.6422 124.6749 54.4857 41.6362 176.1468 31 K 4.2735 8.5422 120.3240 58.9711 33.0839 178.8658 32 T 4.1128 8.1140 115.4125 65.9090 68.9433 174.3704 33 S 4.7568 7.7467 113.9420 56.1623 65.9540 175.2806 34 G 3.7788 8.5122 107.9842 46.1018 0.0000 172.8620 35 E 3.6955 8.3879 120.8867 56.6204 30.3297 177.0390 36 K 4.9281 8.5840 128.7306 55.4368 30.4481 175.1849 37 H 5.0190 8.7633 120.6650 52.9702 32.2843 174.9233 38 L 4.4173 8.2706 120.5561 54.6584 43.5071 176.2775 39 R 3.8275 8.3667 122.8575 57.9792 30.3298 176.8704 40 H 4.3782 10.6741 118.1451 56.6786 26.1995 173.9202 41 H 3.7838 8.2126 111.6410 54.9111 31.1676 173.7789 42 I 3.3241 6.4047 120.0119 59.1902 37.4783 175.3664 43 T 4.5043 8.4457 113.8190 60.2631 70.9267 174.9388 44 A 4.3497 8.0830 123.0347 54.1092 18.7987 178.1152 45 D 4.6836 7.9194 113.4877 52.1668 40.1423 176.6622 46 G 4.4311 8.1549 106.8743 47.5961 0.0000 172.4545 47 Y 4.6716 7.9819 117.9809 57.6607 40.3907 174.9557 48 Y 5.0187 7.3217 124.7385 58.8362 43.8829 176.6363 49 R 4.1444 7.4876 110.7807 55.6639 28.2709 177.6408 50 G 4.2079 8.5431 112.0313 45.7995 0.0000 169.9885 51 R 3.0758 8.4943 116.4352 58.7572 30.7252 176.3607 52 K 3.9816 7.7180 111.2620 56.6397 33.2780 175.6680 53 V 3.8823 8.2563 118.9357 60.9432 32.7679 171.9229 54 I 3.3828 8.3792 130.9543 60.3642 37.0537 173.9106 55 A 3.9972 8.6994 127.7599 52.2668 19.0667 177.1919 56 K 4.4348 8.3576 117.4540 57.4162 34.3334 174.5668 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 A 8.26 4.30 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 2 V 7.88 4.36 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.93 0.00 0.00 3 Q 8.60 4.17 0.00 2.43 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 4 Q 8.44 4.51 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 5 N 7.50 4.89 0.00 2.70 2.64 0.00 0.00 6.92 7.61 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 6 K 8.42 4.27 0.00 1.71 1.75 0.00 1.62 0.00 0.00 2.36 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.42 7.81 7 P 0.00 4.22 0.00 2.08 2.00 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 8 T 8.44 4.01 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 1.23 0.00 0.00 9 R 8.66 3.95 0.00 2.00 2.08 0.00 3.10 0.00 0.00 3.15 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 10 S 8.28 4.04 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.91 3.88 0.00 1.90 1.97 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.61 7.81 12 R 7.96 3.95 0.00 1.89 2.13 0.00 3.18 0.00 0.00 3.17 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 13 G 8.15 3.85 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 0.00 0.00 0.00 14 M 7.35 4.03 0.00 2.12 2.32 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 15 R 8.43 4.16 0.00 1.84 2.01 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 16 R 7.90 4.62 0.00 1.93 1.92 0.00 3.21 0.00 0.00 3.31 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 17 S 7.62 4.03 0.00 3.81 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 7.71 4.36 0.00 3.22 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.86 4.58 0.00 2.82 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.44 4.09 1.28 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 0.00 0.00 21 L 8.05 4.45 0.00 1.64 1.62 0.92 0.78 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 22 T 8.03 4.60 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 23 A 7.80 4.89 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 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.28 4.41 2.09 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 0.82 0.00 0.00 0.93 0.00 0.00 25 T 8.78 3.47 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 26 S 7.42 4.10 0.00 4.13 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 27 L 8.02 4.70 0.00 1.77 1.32 0.93 0.81 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 28 S 8.78 4.85 0.00 3.85 3.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 4.88 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 30 D 8.64 4.52 0.00 2.58 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.54 4.27 0.00 1.76 1.83 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.50 7.81 32 T 8.11 4.11 4.63 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 S 7.75 4.76 0.00 3.54 3.33 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 34 G 8.51 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 35 E 8.39 3.70 0.00 1.70 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.22 0.00 36 K 8.58 4.93 0.00 1.77 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.45 7.81 37 H 8.76 5.02 0.00 3.38 3.41 0.00 5.32 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.27 4.42 0.00 1.76 1.71 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.37 3.83 0.00 1.85 1.93 0.00 3.56 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 40 H 10.67 4.38 0.00 3.22 3.51 0.00 5.99 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.21 3.78 0.00 3.03 3.00 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 6.40 3.32 1.78 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.91 0.00 0.00 43 T 8.45 4.50 4.27 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 1.25 0.00 0.00 44 A 8.08 4.35 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 45 D 7.92 4.68 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.15 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.98 4.67 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 7.32 5.02 0.00 2.99 2.10 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 49 R 7.49 4.14 0.00 1.36 1.57 0.00 3.04 0.00 0.00 2.91 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 50 G 8.54 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 0.00 0.00 0.00 0.00 51 R 8.49 3.08 0.00 1.95 2.01 0.00 3.21 0.00 0.00 3.12 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 52 K 7.72 3.98 0.00 0.81 1.36 0.00 1.44 0.00 0.00 1.51 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.89 0.28 7.81 53 V 8.26 3.88 2.08 0.00 0.00 0.00 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 1.06 0.00 0.00 54 I 8.38 3.38 1.86 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 1.34 0.34 0.90 0.00 0.00 55 A 8.70 4.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.36 4.43 0.00 1.95 2.04 0.00 1.50 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.49 7.81