NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5148 8.3649 120.1919 53.5245 41.1756 175.4146 2 C 4.1914 8.3840 122.4808 56.1497 35.8661 167.3642 3 V 4.7039 8.0332 118.4881 61.6009 35.4293 174.6344 4 R 4.9812 8.2900 122.3614 54.2207 32.4319 174.7563 5 F 3.6313 8.9698 119.5377 60.2938 39.5134 175.1456 6 W 3.8879 8.3257 128.2398 57.0364 26.1985 172.3733 7 G 4.1371 8.0722 108.0827 43.5773 0.0000 169.5261 8 K 4.8977 8.6668 122.9537 56.8232 32.1837 176.3152 9 C 5.2048 8.3626 122.3630 55.2808 47.0059 172.7829 10 S 4.5653 8.6441 118.7137 58.6671 64.0255 174.0262 11 Q 4.5733 7.5449 123.4552 56.6177 32.9218 174.0035 12 T 4.5156 7.4145 111.9084 62.9234 72.9742 172.9862 13 S 3.7353 8.7813 116.7769 59.2949 60.2581 169.6204 14 D 4.6435 7.5700 116.9012 55.3245 43.4915 177.8527 15 C 4.7521 8.4802 120.8885 54.9012 40.1741 174.5522 16 C 4.6843 8.1757 116.4189 56.0372 40.3042 173.3837 17 P 4.1278 0.0000 0.0000 65.2952 31.2598 176.9901 18 H 4.6153 8.1680 115.1683 55.6883 28.6018 174.1773 19 L 4.8455 7.6054 118.9971 53.3973 45.8269 174.2591 20 A 4.6172 8.2217 121.1530 51.0626 22.5956 175.4508 21 C 5.0583 8.5878 119.1387 54.1557 42.2536 174.4709 22 K 4.4350 7.3706 118.5052 55.5313 34.4226 176.7101 23 S 5.0024 8.6261 118.6408 56.8186 65.1023 173.6375 24 K 4.7585 8.6000 117.2872 56.1253 32.6660 175.8958 25 W 4.5987 8.0872 135.0000 58.6833 34.7285 173.5358 26 P 3.4450 0.0000 0.0000 63.8578 31.1132 176.3242 27 R 3.8279 7.8903 115.7313 55.8958 27.4723 175.6411 28 N 5.3324 7.3640 119.6902 53.7384 43.6362 174.6215 29 I 5.1190 6.9785 111.5609 60.3434 41.8633 173.0877 30 C 5.6253 8.9338 121.6290 54.5399 46.7130 173.4079 31 V 4.0561 7.8883 119.2438 58.5661 33.6564 175.0926 32 W 4.1812 6.2906 134.1188 57.9955 31.1493 175.2619 33 D 3.8389 7.2326 125.5258 52.6054 40.1770 177.4975 34 G 4.0481 7.2848 115.0347 44.1740 0.0000 174.6316 35 S 4.3524 7.2148 113.0656 56.8875 62.0084 175.5375 36 V 3.8112 8.0341 121.1883 62.7010 31.2616 176.2595 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 D 8.36 4.51 0.00 2.64 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 2 C 8.38 4.19 0.00 2.98 3.07 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 0.00 0.00 0.00 3 V 8.03 4.70 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 1.08 0.00 0.00 1.04 0.00 0.00 4 R 8.29 4.98 0.00 1.91 2.00 0.00 3.41 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 5 F 8.97 3.63 0.00 3.10 3.08 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 6 W 8.33 3.89 0.00 3.65 3.27 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 7 G 8.07 4.14 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 0.00 0.00 0.00 8 K 8.67 4.90 0.00 1.78 1.83 0.00 1.77 0.00 0.00 2.28 0.00 0.00 2.74 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.40 7.81 9 C 8.36 5.20 0.00 2.91 2.97 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 0.00 0.00 0.00 10 S 8.64 4.57 0.00 4.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 7.54 4.57 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.71 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 12 T 7.41 4.52 4.23 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 1.20 0.00 0.00 13 S 8.78 3.74 0.00 3.99 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 14 D 7.57 4.64 0.00 2.63 2.38 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 15 C 8.48 4.75 0.00 3.23 3.12 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 16 C 8.18 4.68 0.00 2.99 3.06 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 0.00 0.00 0.00 17 P 0.00 4.13 0.00 2.07 2.11 0.00 3.94 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 18 H 8.17 4.62 0.00 3.26 3.49 0.00 5.60 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.61 4.85 0.00 1.48 1.38 1.03 0.55 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 A 8.22 4.62 1.13 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 0.00 0.00 21 C 8.59 5.06 0.00 2.89 2.99 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 22 K 7.37 4.44 0.00 1.83 1.71 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.21 1.39 7.81 23 S 8.63 5.00 0.00 4.30 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 24 K 8.60 4.76 0.00 2.04 2.17 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.81 1.67 7.81 25 W 8.09 4.60 0.00 3.20 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 26 P 0.00 3.45 0.00 2.23 2.05 0.00 4.22 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 2.39 2.09 0.00 27 R 7.89 3.83 0.00 1.82 1.97 0.00 3.57 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 28 N 7.36 5.33 0.00 3.01 2.81 0.00 0.00 6.56 6.64 0.00 0.00 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 I 6.98 5.12 2.16 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.88 1.00 0.00 0.00 30 C 8.93 5.63 0.00 3.10 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 31 V 7.89 4.06 1.55 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 -0.45 0.00 0.00 0.72 0.00 0.00 32 W 6.29 4.18 0.00 2.79 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 0.00 0.00 0.00 33 D 7.23 3.84 0.00 1.97 2.01 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 34 G 7.28 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.21 4.35 0.00 3.91 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 36 V 8.03 3.81 2.12 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 0.90 0.00 0.00 0.95 0.00 0.00