NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3310 8.1114 123.5825 51.8686 21.4120 178.4892 3 G 3.5506 8.1312 100.6062 45.5000 0.0000 173.6264 4 S 4.2393 8.1980 116.5719 60.8441 63.7114 174.7226 5 R 3.8858 8.0097 122.1112 59.3772 29.9477 178.8247 6 V 3.9266 8.0545 118.9247 65.0226 31.3637 178.4633 7 T 3.8918 7.9468 116.6016 66.4515 68.2993 176.3710 8 F 4.1031 8.7080 123.0169 61.2890 39.4144 176.9684 9 E 4.0859 8.5584 118.3108 59.5860 29.2437 179.6523 10 R 3.9342 8.0667 118.1039 59.1862 30.1427 179.2857 11 V 3.5724 7.8318 118.1447 65.7929 31.4847 177.7282 12 E 3.7207 7.8600 119.2350 59.1631 29.4348 178.6284 13 Q 3.9665 8.0424 119.6819 59.2071 29.0534 177.9470 14 M 4.0335 8.4292 120.3581 58.2285 31.9762 178.4471 15 S 4.0338 7.9508 113.2824 61.5371 62.5491 176.2026 16 I 3.6663 7.6692 122.2292 64.7841 36.8086 178.5439 17 Q 4.0601 8.1939 118.5626 58.8186 28.5121 178.7691 18 I 3.7065 8.2057 121.5877 64.0951 36.9940 178.3633 19 K 3.9882 8.1316 120.6768 59.4605 32.0367 178.8352 20 E 3.9441 8.2830 119.0338 59.1336 29.2681 179.4040 21 V 3.6506 8.2072 118.7581 65.9611 31.5592 177.8899 22 G 3.9384 8.0199 105.4601 48.4021 0.0000 175.0631 23 D 4.4055 8.3854 122.0063 56.9453 40.8172 179.3642 24 R 4.0237 8.1277 118.4876 59.2827 30.0234 179.2509 25 V 3.6340 8.0718 118.2290 66.1152 31.5290 177.8362 26 N 4.3412 8.5502 116.5603 56.3506 38.3707 176.6780 27 Y 4.2807 8.2607 121.0162 60.8948 38.8226 178.3494 28 I 3.4612 7.8375 120.6542 64.1210 37.1769 178.4574 29 K 3.8870 8.2518 119.5519 59.6481 31.8575 179.5506 30 R 3.9282 8.0286 118.1316 59.3789 29.9839 179.3321 31 S 3.9820 7.9103 114.9412 61.4435 62.6727 176.5459 32 L 3.9511 8.0479 123.1924 57.8080 41.7832 178.8600 33 Q 3.8897 8.0833 119.6826 59.3576 29.1722 178.1049 34 S 4.1282 8.1327 116.2767 61.8094 62.7891 176.7124 35 L 3.9627 7.8956 122.7395 58.0667 41.8084 178.4286 36 D 4.2823 8.3425 118.4645 57.3747 41.1943 178.2303 37 S 4.0639 8.1668 113.6296 61.4108 62.3838 176.1783 38 Q 4.0547 7.9823 120.2764 59.1321 28.4664 178.6631 39 I 3.8241 8.1781 121.2626 64.2533 37.0342 178.6898 40 G 3.5513 7.9609 106.4845 48.2945 0.0000 175.4493 41 H 4.1922 8.0309 119.2145 58.3467 28.5954 177.7477 42 L 4.0155 7.9126 122.1931 58.0853 41.8487 179.0261 43 Q 3.9919 8.2833 118.1725 58.9768 28.6682 178.2748 44 D 4.3611 8.2313 119.9808 57.3445 40.8770 178.8014 45 L 3.9331 7.9397 120.6816 58.0617 42.1606 178.5964 46 S 4.0524 8.3965 113.3569 61.6992 62.2673 176.1925 47 A 4.0277 8.3502 123.4732 54.9580 17.9882 179.4020 48 L 3.9074 8.0210 119.0175 58.5766 42.1649 179.4059 49 T 3.8576 7.9540 115.7624 66.5014 68.1746 176.9190 50 V 3.5375 7.5945 118.9666 65.9804 31.9175 177.0523 51 D 4.4922 8.1737 117.7475 57.9364 41.0639 178.5012 52 T 3.8913 8.0996 116.0815 66.6244 68.2196 176.6005 53 L 4.0674 7.7988 119.7641 57.1604 41.6637 178.8825 54 K 4.2707 7.7505 116.9408 57.3049 32.4147 176.7964 55 T 4.1651 7.6812 114.2460 61.6497 69.0020 174.4946 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 2 A 8.11 4.33 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 3 G 8.13 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.20 4.24 0.00 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.01 3.89 0.00 1.88 2.10 0.00 3.18 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 6 V 8.05 3.93 2.25 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 0.83 0.00 0.00 0.95 0.00 0.00 7 T 7.95 3.89 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 1.24 0.00 0.00 8 F 8.71 4.10 0.00 3.17 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 9 E 8.56 4.09 0.00 2.26 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 0.00 2.52 2.76 0.00 10 R 8.07 3.93 0.00 2.10 1.96 0.00 3.31 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 11 V 7.83 3.57 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 12 E 7.86 3.72 0.00 1.68 1.90 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 2.30 2.19 0.00 13 Q 8.04 3.97 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 14 M 8.43 4.03 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 15 S 7.95 4.03 0.00 3.91 3.98 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 16 I 7.67 3.67 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.77 0.90 0.00 0.00 17 Q 8.19 4.06 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 18 I 8.21 3.71 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.99 0.90 0.00 0.00 19 K 8.13 3.99 0.00 1.83 1.94 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.47 7.81 20 E 8.28 3.94 0.00 2.30 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 21 V 8.21 3.65 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 1.09 0.00 0.00 0.93 0.00 0.00 22 G 8.02 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.39 4.41 0.00 2.83 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.13 4.02 0.00 2.15 2.03 0.00 3.15 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 25 V 8.07 3.63 2.22 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 1.12 0.00 0.00 1.01 0.00 0.00 26 N 8.55 4.34 0.00 2.95 2.89 0.00 0.00 6.65 8.32 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 27 Y 8.26 4.28 0.00 3.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.84 3.46 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.47 0.86 0.00 0.00 29 K 8.25 3.89 0.00 1.92 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.58 7.81 30 R 8.03 3.93 0.00 2.03 1.98 0.00 3.17 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 31 S 7.91 3.98 0.00 3.78 3.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 3.95 0.00 1.84 1.74 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.08 3.89 0.00 2.33 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 34 S 8.13 4.13 0.00 4.03 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.90 3.96 0.00 1.84 1.76 0.91 0.94 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 36 D 8.34 4.28 0.00 2.96 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 37 S 8.17 4.06 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.98 4.05 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 39 I 8.18 3.82 2.00 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 1.45 0.72 0.90 0.00 0.00 40 G 7.96 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.03 4.19 0.00 3.39 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.91 4.02 0.00 1.79 1.84 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.28 3.99 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.55 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 44 D 8.23 4.36 0.00 2.86 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 45 L 7.94 3.93 0.00 1.79 1.81 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.40 4.05 0.00 3.96 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 0.00 47 A 8.35 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 3.91 0.00 1.87 1.97 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.95 3.86 4.36 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 1.21 0.00 0.00 50 V 7.59 3.54 2.22 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 0.79 0.00 0.00 0.96 0.00 0.00 51 D 8.17 4.49 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.10 3.89 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 53 L 7.80 4.07 0.00 1.80 1.74 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.75 4.27 0.00 1.90 1.85 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.56 7.81 55 T 7.68 4.17 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 1.28 0.00 0.00