NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4776 0.0000 0.0000 62.3411 33.6153 174.9210 2 I 4.8126 8.3121 123.1357 59.1189 39.9662 173.0220 3 A 4.7884 9.4468 130.0476 49.9890 22.2146 174.4876 4 Q 4.9283 8.6600 122.4088 54.3697 31.5918 174.3765 5 I 4.4642 8.7645 127.9428 59.8593 39.8993 174.3142 6 H 5.2679 8.8114 124.4931 54.3431 29.7887 174.3361 7 I 4.6337 8.2827 116.5708 58.5804 41.2893 174.8750 8 L 4.6847 8.3212 123.0143 54.2757 42.2435 176.9849 9 E 4.4948 8.0499 120.7805 56.6705 29.9655 176.2008 10 G 3.6601 8.7803 108.3640 45.5937 0.0000 174.5287 11 R 4.4614 7.6483 119.3275 55.1998 31.6617 176.8060 12 S 4.5186 8.2711 116.1156 57.8284 65.5433 175.2115 13 D 4.3886 8.5254 121.7855 57.3776 40.4674 178.9995 14 E 3.9388 8.0792 118.6727 59.5701 29.5263 179.0537 15 Q 4.0082 7.7705 118.0478 59.1555 28.8257 179.3776 16 K 3.9691 8.0092 119.0666 59.2492 31.8857 179.1160 17 E 3.9711 8.1877 119.8695 59.4452 29.4925 179.0618 18 T 3.8998 8.0794 115.9924 66.2452 68.5003 176.4530 19 L 3.9202 8.1309 122.5279 58.4175 42.0970 179.1328 20 I 3.6834 7.7930 119.5756 64.2530 36.9950 178.5261 21 R 3.8751 7.8218 119.3670 59.3509 30.0539 178.2040 22 E 3.9499 8.4778 118.8191 59.6253 29.5354 179.6765 23 V 3.6245 7.9443 118.1222 66.0920 31.5455 178.2482 24 S 4.1684 7.9627 114.6152 61.4156 62.5342 176.6264 25 E 3.9017 8.3502 121.1442 59.3255 29.2689 178.9566 26 A 3.9615 7.9820 120.7783 55.3411 18.4618 179.8274 27 I 3.6330 7.8306 118.0294 64.6109 37.3706 178.5997 28 S 4.1651 8.0103 114.0045 61.2747 61.9899 176.1543 29 R 3.8456 8.6980 121.7222 59.6809 29.7153 178.5678 30 S 4.1095 7.9761 113.4712 61.2907 62.8870 175.5170 31 L 4.3777 7.7435 116.4730 53.7102 42.0268 175.6374 32 D 4.3399 7.4694 117.0712 55.2858 40.0255 172.8575 33 A 4.7747 7.5257 118.8627 48.9100 21.5686 175.7663 34 P 4.2825 0.0000 0.0000 62.6423 32.0368 176.8782 35 L 3.9276 8.9431 125.1592 58.4966 41.9048 178.8289 36 T 4.0671 7.8735 106.3652 63.4454 68.7428 174.7128 37 S 4.4248 8.1215 116.4628 58.9909 63.8571 174.4530 38 V 4.0751 7.5709 122.5284 62.8143 32.1714 175.3670 39 R 4.7006 8.9698 126.3294 54.3209 33.3085 174.5760 40 V 4.8713 8.4957 123.0946 61.0454 34.4601 174.4358 41 I 4.5347 8.9102 128.2569 59.6089 40.0633 174.3403 42 I 4.7303 8.3821 127.8344 60.1230 39.0330 175.3582 43 T 4.5052 8.7628 123.0331 61.7799 71.8730 173.0600 44 E 4.8257 8.7655 126.3784 55.9916 31.5567 175.4341 45 M 4.9221 8.8309 122.7731 53.1906 35.2176 175.6839 46 A 4.5629 8.5575 125.3773 51.7269 19.3295 178.6918 47 K 4.0124 8.5537 120.6691 59.1630 32.2637 178.3282 48 G 4.1084 7.9820 105.5516 45.6447 0.0000 173.4640 49 H 4.9760 8.6301 114.3975 54.8096 29.9946 173.3177 50 F 5.0747 8.1904 122.5841 56.2597 41.4717 173.6970 51 G 4.1606 8.3635 116.3550 43.5485 0.0000 172.2973 52 I 4.1240 8.1654 122.5958 60.0245 39.8144 176.0505 53 G 3.9348 9.5042 113.8949 46.5656 0.0000 174.0247 54 G 3.9258 8.7509 105.5877 44.9833 0.0000 173.7986 55 E 4.7000 7.6234 117.8767 53.6298 33.4695 175.2245 56 L 4.3349 8.4175 121.0951 55.0687 41.9459 178.5898 57 A 3.9782 8.8847 126.1310 55.0908 18.7698 180.1941 58 S 4.1575 8.1829 109.9046 61.4893 63.0559 175.3897 59 K 4.3631 7.6730 117.8381 56.1119 32.1074 177.2707 60 V 4.0228 7.3776 123.6845 61.8398 31.4673 175.1370 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 P 0.00 4.48 0.00 2.09 2.03 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.31 4.81 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 1.27 0.72 0.90 0.00 0.00 3 A 9.45 4.79 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.66 4.93 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.64 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 5 I 8.76 4.46 1.83 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 1.21 0.65 0.88 0.00 0.00 6 H 8.81 5.27 0.00 2.91 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.28 4.63 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.29 0.86 0.00 0.00 8 L 8.32 4.68 0.00 1.53 1.64 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.05 4.49 0.00 1.97 2.07 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 2.31 2.11 0.00 10 G 8.78 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.65 4.46 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 12 S 8.27 4.52 0.00 3.99 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.39 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 3.94 0.00 2.05 1.99 0.00 0.00 0.00 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 15 Q 7.77 4.01 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 16 K 8.01 3.97 0.00 1.83 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 17 E 8.19 3.97 0.00 2.30 1.99 0.00 0.00 0.00 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 2.34 0.00 18 T 8.08 3.90 4.40 0.00 0.00 0.00 0.00 0.00 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 19 L 8.13 3.92 0.00 1.81 1.84 0.91 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.79 3.68 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 1.39 1.11 0.90 0.00 0.00 21 R 7.82 3.88 0.00 1.82 1.90 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.48 3.95 0.00 2.02 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 2.47 2.46 0.00 23 V 7.94 3.62 2.24 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 1.02 0.00 0.00 0.95 0.00 0.00 24 S 7.96 4.17 0.00 4.13 3.89 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 E 8.35 3.90 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 26 A 7.98 3.96 1.38 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 0.00 0.00 0.00 27 I 7.83 3.63 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 1.40 1.16 0.91 0.00 0.00 28 S 8.01 4.17 0.00 3.90 4.08 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 0.00 0.00 0.00 0.00 29 R 8.70 3.85 0.00 2.13 1.90 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 7.98 4.11 0.00 3.94 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 31 L 7.74 4.38 0.00 1.66 1.69 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.47 4.34 0.00 2.76 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 33 A 7.53 4.77 1.24 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 0.00 0.00 0.00 34 P 0.00 4.28 0.00 2.23 2.21 0.00 3.73 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 2.07 1.96 0.00 35 L 8.94 3.93 0.00 1.73 1.73 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.87 4.07 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 37 S 8.12 4.42 0.00 3.95 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 4.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 39 R 8.97 4.70 0.00 1.80 1.76 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 40 V 8.50 4.87 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.91 4.53 1.84 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 1.21 0.66 0.87 0.00 0.00 42 I 8.38 4.73 1.84 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 1.31 0.51 0.87 0.00 0.00 43 T 8.76 4.51 3.96 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 1.20 0.00 0.00 44 E 8.77 4.83 0.00 1.91 1.84 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 2.35 2.31 0.00 45 M 8.83 4.92 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.45 0.00 46 A 8.56 4.56 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.55 4.01 0.00 1.80 1.95 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.47 7.81 48 G 7.98 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.63 4.98 0.00 3.39 3.31 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.19 5.07 0.00 2.98 2.92 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 51 G 8.36 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.17 4.12 1.68 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 0.90 0.62 0.83 0.00 0.00 53 G 9.50 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 0.00 0.00 0.00 54 G 8.75 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 0.00 0.00 0.00 55 E 7.62 4.70 0.00 1.90 1.74 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 2.18 2.21 0.00 56 L 8.42 4.33 0.00 1.69 1.61 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.88 3.98 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.18 4.16 0.00 4.01 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 7.67 4.36 0.00 1.71 1.87 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.36 7.81 60 V 7.38 4.02 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 0.64 0.00 0.00 0.96 0.00 0.00