NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3285 8.1933 115.2684 57.9740 63.9464 174.0681 2 I 3.3882 8.3610 129.3565 62.9154 37.2696 176.6576 3 S 4.2015 8.8161 115.5118 60.7683 63.9753 174.8535 4 S 4.1314 7.6018 117.6334 60.2400 61.8987 176.8203 5 R 3.7834 7.6153 124.8821 59.7966 30.8318 178.2435 6 V 3.7421 7.7684 118.5561 65.2874 31.1510 177.6720 7 K 3.8928 8.3570 120.4101 59.2760 32.0980 178.3960 8 S 4.1623 8.7466 113.2961 61.5806 62.0836 176.7883 9 K 4.0707 8.2893 121.3081 59.1744 31.7865 179.1633 10 R 3.9375 8.1183 115.9877 59.6542 28.8160 178.6804 11 I 3.7234 7.5151 119.0720 64.8772 37.5253 177.4980 12 Q 3.7018 8.0550 116.0376 59.5406 28.2729 178.8028 13 L 4.0189 8.2595 126.5307 56.3888 42.5096 178.7657 14 G 3.8965 7.7918 106.4907 45.2300 0.0000 173.3010 15 L 4.7598 7.5523 119.1810 53.3008 41.5788 175.8995 16 N 4.9108 8.1772 116.9544 51.6647 39.0524 174.0546 17 Q 3.9309 8.2578 114.3177 58.0812 28.8197 178.8463 18 A 3.7228 7.6183 117.9768 54.7909 19.1224 180.1107 19 E 3.0886 9.1299 108.0511 57.5909 29.9444 179.8546 20 L 3.8002 5.7737 125.1370 58.6801 43.0829 177.6177 21 A 4.0602 8.0573 120.7629 55.4004 18.1442 179.3780 22 Q 3.9424 8.8985 117.1940 58.5603 29.0354 178.3243 23 K 4.0989 7.6035 119.8757 59.3075 32.6177 178.4469 24 V 3.7828 8.3003 117.6221 63.7660 31.4996 176.8449 25 G 3.9970 8.2928 106.4327 45.8822 0.0000 173.3873 26 T 4.6745 6.8865 116.4843 61.2893 65.9263 176.4737 27 T 4.6720 8.0709 107.5582 59.5207 71.8403 173.9458 28 Q 3.9661 8.9608 124.8667 59.6912 29.0091 178.8170 29 Q 4.2644 8.0502 115.1199 57.8073 29.5352 177.7602 30 S 4.5829 8.4509 114.6497 60.4842 63.2768 176.1210 31 I 3.9305 7.3972 120.7289 63.1491 36.7682 177.7523 32 E 4.0671 8.0223 120.3610 58.9538 29.7843 178.0889 33 Q 4.0565 7.7391 116.7606 59.5633 28.8197 177.5457 34 L 4.1599 8.4593 121.5791 56.3328 41.6944 179.0622 35 E 3.8517 7.7664 121.3232 58.7020 30.7915 179.1391 36 N 4.9063 8.4071 116.8513 54.5348 37.5868 174.8846 37 G 4.1175 7.6836 103.7386 46.2912 0.0000 173.8892 38 K 4.2411 8.5411 120.4285 56.9402 32.5828 176.8543 39 T 4.7217 7.5509 107.4343 60.2607 71.7788 172.6727 40 K 4.3681 8.8294 121.7784 58.2806 34.3184 177.2834 41 R 4.4480 7.3810 120.5293 52.4974 29.9067 173.3403 42 P 3.9140 0.0000 0.0000 62.0036 32.0646 177.3864 43 R 4.1213 7.9004 120.4373 57.2934 30.1414 176.5018 44 F 4.9444 6.6794 110.5026 56.7843 38.7287 176.2960 45 L 3.9886 7.8929 124.0650 58.7555 41.7037 177.3106 46 P 4.2794 0.0000 0.0000 65.8150 31.0888 178.6107 47 E 4.1218 8.3121 116.2769 58.7307 28.6082 178.9046 48 L 4.1078 8.3121 120.8242 57.7481 42.3254 178.4538 49 A 4.7480 8.0635 120.1918 54.4247 18.0336 179.6011 50 S 4.1826 7.5202 111.5769 61.8620 63.8541 175.5934 51 A 3.9208 7.9160 123.1338 53.8344 17.7103 178.5790 52 L 3.9927 9.5573 120.9232 54.8795 42.6940 177.7452 53 G 4.0787 8.1566 106.4275 46.1878 0.0000 173.0157 54 V 4.3666 7.4611 112.1709 58.5305 35.1245 175.4312 55 S 4.6257 8.1974 115.1468 57.7607 64.5280 174.9401 56 V 3.6509 8.6275 124.6527 66.8775 31.0074 177.4419 57 D 4.4439 8.4714 118.2543 56.6737 40.6658 178.5748 58 W 4.5382 8.5714 128.4750 60.8753 30.9189 177.7612 59 L 3.9560 8.1298 118.2686 58.4612 41.1091 179.0978 60 L 3.9300 7.8640 119.4636 58.0571 41.7025 178.5272 61 N 4.2818 8.3693 119.9494 53.9134 38.1795 175.5145 62 G 3.7396 7.9833 105.6851 45.4900 0.0000 173.4526 63 T 4.2391 7.7384 119.3890 63.8898 69.4702 174.2313 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 S 8.19 4.33 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.39 1.84 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 1.43 0.20 0.88 0.00 0.00 3 S 8.82 4.20 0.00 4.17 4.19 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 4 S 7.60 4.13 0.00 4.15 3.72 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 R 7.62 3.78 0.00 1.58 1.13 0.00 2.21 0.00 0.00 2.73 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.62 0.00 6 V 7.77 3.74 2.13 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 0.87 0.00 0.00 0.98 0.00 0.00 7 K 8.36 3.89 0.00 2.02 1.97 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.50 7.81 8 S 8.75 4.16 0.00 3.92 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 9 K 8.29 4.07 0.00 1.96 1.87 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.63 1.75 7.81 10 R 8.12 3.94 0.00 2.03 2.22 0.00 3.11 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.91 0.00 11 I 7.52 3.72 1.89 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 1.72 0.82 0.92 0.00 0.00 12 Q 8.05 3.70 0.00 2.33 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.71 0.00 13 L 8.26 4.02 0.00 1.58 1.76 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.79 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 15 L 7.55 4.76 0.00 1.71 1.83 0.91 1.00 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 16 N 8.18 4.91 0.00 2.91 3.02 0.00 0.00 7.39 7.28 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 17 Q 8.26 3.93 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 18 A 7.62 3.72 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 9.13 3.09 0.00 2.11 1.73 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 2.26 2.80 0.00 20 L 5.77 3.80 0.00 1.88 1.87 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.06 4.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.90 3.94 0.00 1.94 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 23 K 7.60 4.10 0.00 1.78 1.93 0.00 1.84 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.56 7.81 24 V 8.30 3.78 1.96 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 0.43 0.00 0.00 0.84 0.00 0.00 25 G 8.29 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 0.00 0.00 0.00 26 T 6.89 4.67 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 0.66 0.00 0.00 27 T 8.07 4.67 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 28 Q 8.96 3.97 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.97 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 29 Q 8.05 4.26 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.56 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 30 S 8.45 4.58 0.00 4.01 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 0.00 31 I 7.40 3.93 1.99 0.00 0.00 0.65 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 0.86 0.89 0.00 0.00 32 E 8.02 4.07 0.00 2.20 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 0.00 2.36 2.34 0.00 33 Q 7.74 4.06 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 34 L 8.46 4.16 0.00 1.95 1.65 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.77 3.85 0.00 2.05 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 0.00 2.38 2.71 0.00 36 N 8.41 4.91 0.00 2.74 2.81 0.00 0.00 7.30 7.38 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 37 G 7.68 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.54 4.24 0.00 1.67 1.96 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.42 7.81 39 T 7.55 4.72 4.19 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 1.19 0.00 0.00 40 K 8.83 4.37 0.00 1.82 1.90 0.00 1.50 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.27 1.38 7.81 41 R 7.38 4.45 0.00 1.74 1.84 0.00 3.19 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 42 P 0.00 3.91 0.00 1.25 0.66 0.00 3.95 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.88 0.00 43 R 7.90 4.12 0.00 1.61 1.85 0.00 3.14 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 44 F 6.68 4.94 0.00 3.25 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.99 0.00 1.71 1.75 0.92 0.91 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 46 P 0.00 4.28 0.00 2.24 2.11 0.00 3.62 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 47 E 8.31 4.12 0.00 2.12 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 0.00 2.45 2.43 0.00 48 L 8.31 4.11 0.00 1.80 2.29 0.96 1.12 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 49 A 8.06 4.75 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.52 4.18 0.00 4.18 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 51 A 7.92 3.92 1.34 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 52 L 9.56 3.99 0.00 1.90 1.86 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.16 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 0.00 0.00 0.00 54 V 7.46 4.37 1.72 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 0.30 0.00 0.00 1.08 0.00 0.00 55 S 8.20 4.63 0.00 4.10 4.01 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 56 V 8.63 3.65 2.13 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 1.10 0.00 0.00 0.98 0.00 0.00 57 D 8.47 4.44 0.00 2.84 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.57 4.54 0.00 3.35 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.96 0.00 1.71 1.70 1.05 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.86 3.93 0.00 1.63 1.59 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 61 N 8.37 4.28 0.00 2.79 2.92 0.00 0.00 7.13 8.33 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 62 G 7.98 3.74 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 0.00 0.00 0.00 63 T 7.74 4.24 4.26 0.00 0.00 0.00 0.00 0.00 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