NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0319 8.0549 120.3648 62.8851 32.7666 174.6062 2 R 4.0249 8.4699 125.4922 56.1691 32.6398 174.7355 3 W 5.7463 8.2899 118.9424 55.0210 34.1499 174.0441 4 A 5.1354 9.1625 123.8568 50.6236 22.8187 174.7405 5 R 4.8778 8.8161 120.9568 54.1583 32.5998 175.3471 6 A 4.1620 8.6114 129.0421 52.2951 18.6653 178.1586 7 L 3.8436 8.9086 123.5117 56.6279 42.4669 176.7388 8 Y 4.9669 7.6538 113.5955 55.8584 42.2855 174.9462 9 D 4.9278 9.0947 121.2730 54.8999 41.9408 175.6950 10 F 4.9480 9.2685 125.1408 56.3214 42.3109 173.0787 11 E 4.3906 8.2384 127.0759 54.3209 30.4784 175.3103 12 A 3.8659 8.0751 130.7192 52.0626 18.8516 176.6494 13 L 4.6074 9.1264 122.4119 54.3063 43.7923 176.1630 14 E 4.7742 7.7644 117.2783 53.7800 33.1689 176.2607 15 E 3.9305 8.7663 121.2051 59.0701 29.9740 177.2210 16 D 4.7335 7.9979 116.2261 53.1956 39.9534 174.9475 17 E 5.2153 7.8781 119.5324 55.2542 31.4688 175.4738 18 L 4.6653 9.1367 126.3725 53.4197 43.0512 176.3665 19 G 3.8896 8.7299 114.1067 46.3368 0.0000 171.2806 20 F 5.1678 8.3431 115.1474 56.0847 42.0647 173.0386 21 R 5.1616 8.9869 117.7661 54.2038 32.7141 176.1420 22 S 4.2218 9.2420 116.6436 60.5546 62.6187 175.0799 23 G 3.9335 8.8295 116.4750 44.9747 0.0000 173.3576 24 E 4.1213 7.8677 120.8617 56.1769 31.0910 175.4796 25 V 4.6629 8.1922 124.6339 61.2689 33.3505 174.7259 26 V 4.4671 8.5626 128.6483 61.0783 33.7583 174.2761 27 E 3.8975 8.8896 129.4384 55.9642 30.5452 175.3270 28 V 4.3758 8.2853 128.3909 62.1827 31.8828 175.1239 29 L 4.4003 9.0269 128.4050 55.8043 43.4127 176.7464 30 D 4.7204 7.8556 117.8473 51.9844 44.3185 176.0180 31 S 2.8245 8.1277 118.4454 57.2945 63.5221 174.9441 32 S 4.1905 8.0506 117.4478 60.9057 63.2389 174.2893 33 N 4.5486 7.9200 120.6177 52.5433 38.8012 173.0958 34 P 4.6051 0.0000 0.0000 65.1272 32.3842 177.3024 35 S 4.3943 8.8402 115.4077 59.6795 64.4654 174.2162 36 W 5.0445 8.3584 118.2937 54.6448 31.5453 175.2243 37 W 4.9077 8.5073 125.0846 56.0780 30.9165 175.4074 38 T 4.9929 8.3632 118.8929 62.4783 70.6894 174.4018 39 G 4.3906 9.0604 111.5094 46.1340 0.0000 171.3686 40 R 5.4794 8.9314 118.9525 54.8183 33.9824 174.3430 41 L 4.6419 9.1900 125.9950 54.8422 46.2121 174.8794 42 H 4.1905 9.3282 122.0469 57.3851 26.1458 174.7261 43 N 4.2629 8.4993 111.8800 53.9046 36.6041 174.1212 44 K 4.6187 8.0154 118.1677 54.8365 33.8857 175.2960 45 L 5.1548 8.0971 122.5773 53.5097 43.7257 175.7892 46 G 4.1346 8.5442 108.3402 46.3344 0.0000 171.8449 47 L 5.4731 8.7275 120.3236 53.7234 43.8351 176.2980 48 F 5.1908 8.7761 116.0586 54.7509 42.1951 171.9717 49 P 3.6981 0.0000 0.0000 61.8910 31.5961 177.5408 50 A 2.9155 8.0185 127.0263 54.8132 18.1944 178.7478 51 N 4.4886 7.6438 110.3108 54.4552 37.9618 175.1054 52 Y 4.5886 8.0962 116.8218 58.5849 38.5001 174.9299 53 V 4.9631 7.5042 112.2553 59.3251 36.1125 174.8882 54 A 4.6833 8.6717 123.9927 49.3986 21.0963 174.2292 55 P 4.7275 0.0000 0.0000 64.0637 32.3454 176.2938 56 M 4.5872 8.6664 124.0001 54.5788 32.8775 176.2570 57 M 4.1843 8.3573 120.5738 55.8947 30.7855 174.7133 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 V 8.05 4.03 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.89 0.00 0.00 2 R 8.47 4.02 0.00 1.73 1.33 0.00 3.20 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 3 W 8.29 5.75 0.00 3.28 3.02 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 4 A 9.16 5.14 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.88 0.00 1.84 1.73 0.00 3.05 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 6 A 8.61 4.16 0.96 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 0.00 0.00 0.00 7 L 8.91 3.84 0.00 1.02 0.65 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.65 4.97 0.00 2.58 2.72 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 9 D 9.09 4.93 0.00 2.72 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 10 F 9.27 4.95 0.00 2.75 1.70 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 11 E 8.24 4.39 0.00 1.84 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 12 A 8.08 3.87 1.15 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 0.00 0.00 13 L 9.13 4.61 0.00 1.56 1.65 0.92 0.69 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 14 E 7.76 4.77 0.00 2.10 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 0.00 2.24 2.21 0.00 15 E 8.77 3.93 0.00 1.90 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 0.00 2.28 2.30 0.00 16 D 8.00 4.73 0.00 2.82 2.82 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 17 E 7.88 5.22 0.00 2.08 2.21 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 2.28 2.18 0.00 18 L 9.14 4.67 0.00 1.86 2.02 1.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.73 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 0.00 0.00 0.00 20 F 8.34 5.17 0.00 3.22 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.99 5.16 0.00 1.88 1.96 0.00 3.20 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 22 S 9.24 4.22 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.83 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 24 E 7.87 4.12 0.00 2.32 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 2.30 2.26 0.00 25 V 8.19 4.66 2.04 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 0.90 0.00 0.00 0.87 0.00 0.00 26 V 8.56 4.47 1.80 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 0.80 0.00 0.00 0.41 0.00 0.00 27 E 8.89 3.90 0.00 2.04 1.86 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 1.89 1.47 0.00 28 V 8.29 4.38 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 0.57 0.00 0.00 1.19 0.00 0.00 29 L 9.03 4.40 0.00 1.65 1.65 0.93 0.81 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 30 D 7.86 4.72 0.00 2.67 2.39 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 2.82 0.00 2.72 2.63 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 0.00 32 S 8.05 4.19 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.92 4.55 0.00 2.77 3.10 0.00 0.00 7.24 7.46 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 34 P 0.00 4.61 0.00 2.26 2.24 0.00 3.89 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 35 S 8.84 4.39 0.00 4.12 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 36 W 8.36 5.04 0.00 3.06 3.02 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 37 W 8.51 4.91 0.00 2.34 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.99 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 1.27 0.00 0.00 39 G 9.06 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.93 5.48 0.00 1.88 1.87 0.00 3.16 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 41 L 9.19 4.64 0.00 1.82 1.53 0.87 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 42 H 9.33 4.19 0.00 3.38 3.41 0.00 6.10 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 8.50 4.26 0.00 2.91 2.94 0.00 0.00 7.08 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 44 K 8.02 4.62 0.00 1.96 1.77 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.60 7.81 45 L 8.10 5.15 0.00 1.57 1.64 0.95 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 G 8.54 4.13 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 0.00 47 L 8.73 5.47 0.00 1.55 1.74 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 48 F 8.78 5.19 0.00 3.00 3.48 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 49 P 0.00 3.70 0.00 1.67 1.24 0.00 2.52 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.45 0.00 50 A 8.02 2.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.64 4.49 0.00 2.80 2.83 0.00 0.00 6.00 7.55 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 52 Y 8.10 4.59 0.00 3.28 3.40 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 0.00 53 V 7.50 4.96 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 0.48 0.00 0.00 1.12 0.00 0.00 54 A 8.67 4.68 1.18 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 0.00 0.00 55 P 0.00 4.73 0.00 2.08 2.21 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.60 0.00 56 M 8.67 4.59 0.00 1.92 2.15 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.48 0.00 57 M 8.36 4.18 0.00 2.12 2.00 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 2.45 2.46 0.00