NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9369 8.3549 109.7366 45.0191 0.0000 173.5612 3 K 3.8263 8.6177 122.3017 55.7966 32.8440 170.7670 4 V 4.5137 8.5954 121.5322 61.4186 35.7248 173.5935 5 Y 5.0301 8.7937 123.6768 56.0653 41.3530 174.6153 6 K 4.5470 8.3960 121.5800 54.4547 35.9521 174.8193 7 K 5.0035 8.4772 123.8557 54.6495 34.8598 175.8501 8 V 4.5636 8.7801 117.7024 59.4939 35.2399 174.1344 9 E 5.0519 8.7356 124.3764 54.7722 30.9054 174.9114 10 L 4.9126 8.9836 126.3418 52.8416 46.3190 175.9364 11 V 4.7363 8.3395 120.3057 61.1987 33.4815 174.9864 12 G 4.1237 8.8309 116.6159 45.7375 0.0000 171.6799 13 T 5.3734 8.0258 112.5944 60.1389 72.2785 172.8487 14 S 4.6346 8.6889 114.6171 58.1707 66.1801 175.6853 15 E 4.6909 9.0219 123.2695 56.8047 30.1182 177.2626 16 E 4.1445 8.5574 119.4211 56.7730 30.0580 176.9774 17 G 3.2130 7.4687 105.1048 44.2677 0.0000 172.5703 18 L 3.7137 7.1719 118.3189 57.9267 41.4458 179.4884 19 E 3.8873 8.0273 117.5474 59.5077 29.3748 179.2195 20 A 3.9752 7.8897 119.9113 54.9970 18.5401 179.4240 21 A 3.9058 7.8343 119.3499 55.2867 18.4597 179.9400 22 I 3.5039 7.6892 118.2913 64.6614 37.0959 178.7321 23 Q 3.8852 8.3940 119.0292 58.7360 28.4743 178.7391 24 A 3.9098 8.1957 121.8035 55.0482 18.3388 179.5556 25 A 3.8759 7.7694 118.7725 55.3695 18.4631 179.9513 26 L 3.8338 7.8351 117.2738 57.6426 41.3775 179.6290 27 A 3.9517 7.9498 120.4889 55.0301 18.5840 179.3813 28 R 3.9134 7.9879 117.0762 59.2779 30.1373 178.3983 29 A 3.8523 8.1169 120.8787 55.3174 18.1674 179.5890 30 R 3.7843 7.6800 115.5133 59.2536 30.0652 178.5202 31 K 4.1543 7.7390 118.0432 58.6863 32.1015 177.5083 32 T 4.5404 7.5876 104.5344 60.4327 70.1944 173.2640 33 L 4.3847 7.8399 122.5496 52.9454 43.9385 176.1696 34 R 4.4086 8.1459 121.4376 55.4695 32.5642 174.9933 35 H 4.1731 8.4081 112.9544 56.7837 26.2279 175.3901 36 L 4.5516 8.0887 118.2252 55.4235 42.3346 176.2141 37 D 5.1947 9.3345 122.5854 55.3270 43.4752 175.9721 38 W 5.4912 7.8217 113.1913 55.2329 31.9450 173.1208 39 F 5.3220 8.2877 113.9745 55.3434 41.0340 173.7496 40 E 4.7459 9.3180 118.9151 54.6710 33.3006 175.0481 41 V 4.2773 8.7505 125.0453 62.9439 31.8064 175.4110 42 K 4.5253 9.3984 127.3712 57.9425 33.7246 176.7141 43 E 4.8502 7.9092 116.8418 54.9604 34.3533 174.4056 44 I 5.0280 8.3032 122.7729 59.8301 40.3946 174.9428 45 R 4.5333 8.6062 123.2672 57.0150 32.9093 173.5456 46 G 4.1801 7.9637 105.8520 47.2099 0.0000 172.1436 47 T 4.7269 7.8724 109.9134 60.1267 71.6369 173.6146 48 I 4.7030 8.2288 122.7659 59.7875 39.2426 175.9417 49 G 4.3480 9.0636 117.6571 44.3334 0.0000 173.8988 50 E 3.8647 8.9483 116.6168 58.7462 29.7978 177.5222 51 A 4.6886 8.6463 118.1199 50.5155 21.0080 175.1154 52 G 3.7941 6.9716 105.8890 44.8719 0.0000 174.1481 53 V 3.7818 8.0007 125.4538 62.9477 31.8139 175.4660 54 K 4.2099 8.3851 130.0826 57.7851 32.4402 175.6051 55 E 4.8033 8.1175 118.7611 54.4332 32.9136 173.8624 56 Y 4.6551 9.2304 125.1391 57.7073 39.8898 174.6632 57 Q 4.8887 9.4859 121.8633 54.3112 32.8785 174.2932 58 V 4.6955 8.9082 125.3803 61.0037 34.0866 174.4935 59 V 4.6703 8.7628 129.6131 62.1497 32.6476 174.8035 60 L 5.3001 9.2429 127.4711 54.4269 44.6727 174.5558 61 E 5.0517 9.3181 119.6077 54.7203 32.1927 175.2000 62 V 4.4977 8.8736 124.4057 61.0137 34.1525 174.2713 63 G 2.9918 8.1235 115.8538 43.9782 0.0000 172.3335 64 F 5.6401 8.1982 118.0476 55.0736 41.9258 173.4597 65 R 4.1650 8.8501 121.5241 56.0435 30.5681 175.9936 66 L 4.4951 8.2455 126.5344 54.2590 42.7107 176.9089 67 E 4.2492 8.7919 122.1300 55.0894 30.7476 176.5336 68 E 4.0463 8.6069 119.4865 56.8151 29.5494 176.6656 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 G 8.35 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 3 K 8.62 3.83 0.00 1.84 1.41 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.46 7.81 4 V 8.60 4.51 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 1.07 0.00 0.00 0.95 0.00 0.00 5 Y 8.79 5.03 0.00 3.02 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 6 K 8.40 4.55 0.00 1.43 0.74 0.00 1.58 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.16 1.27 7.81 7 K 8.48 5.00 0.00 1.62 1.77 0.00 2.06 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.13 1.44 7.81 8 V 8.78 4.56 2.14 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 0.96 0.00 0.00 1.09 0.00 0.00 9 E 8.74 5.05 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.47 0.00 10 L 8.98 4.91 0.00 1.55 1.47 0.87 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.34 4.74 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 0.86 0.00 0.00 0.94 0.00 0.00 12 G 8.83 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 13 T 8.03 5.37 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 14 S 8.69 4.63 0.00 3.90 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 15 E 9.02 4.69 0.00 2.03 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 2.52 2.34 0.00 16 E 8.56 4.14 0.00 1.94 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 2.34 2.26 0.00 17 G 7.47 3.21 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 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.17 3.71 0.00 1.54 1.64 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.03 3.89 0.00 1.98 1.95 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 2.38 2.42 0.00 20 A 7.89 3.98 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 21 A 7.83 3.91 1.45 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 0.00 0.00 0.00 22 I 7.69 3.50 1.86 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 0.64 0.32 0.00 0.00 23 Q 8.39 3.89 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 24 A 8.20 3.91 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 25 A 7.77 3.88 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 26 L 7.84 3.83 0.00 1.61 1.65 0.61 0.85 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 27 A 7.95 3.95 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 28 R 7.99 3.91 0.00 1.92 2.02 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.12 3.85 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 7.68 3.78 0.00 1.87 2.11 0.00 3.24 0.00 0.00 3.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 31 K 7.74 4.15 0.00 1.89 1.81 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.55 7.81 32 T 7.59 4.54 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 33 L 7.84 4.38 0.00 1.26 0.54 0.49 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.15 4.41 0.00 1.72 1.55 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 35 H 8.41 4.17 0.00 3.65 3.48 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.09 4.55 0.00 1.67 1.66 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.33 5.19 0.00 3.10 3.04 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 0.00 0.00 0.00 0.00 38 W 7.82 5.49 0.00 3.24 3.19 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 39 F 8.29 5.32 0.00 3.03 2.95 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 40 E 9.32 4.75 0.00 1.99 1.94 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 2.40 2.56 0.00 41 V 8.75 4.28 2.18 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 0.84 0.00 0.00 1.13 0.00 0.00 42 K 9.40 4.53 0.00 1.74 1.86 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.58 7.81 43 E 7.91 4.85 0.00 1.89 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 0.00 2.32 2.37 0.00 44 I 8.30 5.03 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.65 1.00 0.00 0.00 45 R 8.61 4.53 0.00 1.82 2.04 0.00 2.89 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 46 G 7.96 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 0.00 0.00 0.00 47 T 7.87 4.73 4.20 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 1.18 0.00 0.00 48 I 8.23 4.70 1.84 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 1.22 0.61 0.90 0.00 0.00 49 G 9.06 4.35 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 0.00 50 E 8.95 3.86 0.00 2.08 2.09 0.00 0.00 0.00 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 2.30 0.00 51 A 8.65 4.69 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 52 G 6.97 3.79 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 0.00 0.00 0.00 53 V 8.00 3.78 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 -0.32 0.00 0.00 0.68 0.00 0.00 54 K 8.39 4.21 0.00 1.78 1.81 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.38 7.81 55 E 8.12 4.80 0.00 2.03 1.69 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 2.20 2.27 0.00 56 Y 9.23 4.66 0.00 3.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 9.49 4.89 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 58 V 8.91 4.70 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 1.01 0.00 0.00 0.96 0.00 0.00 59 V 8.76 4.67 2.19 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 0.94 0.00 0.00 1.00 0.00 0.00 60 L 9.24 5.30 0.00 1.93 1.76 0.90 0.49 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 61 E 9.32 5.05 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 62 V 8.87 4.50 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.91 0.00 0.00 63 G 8.12 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 0.00 0.00 0.00 64 F 8.20 5.64 0.00 3.42 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 65 R 8.85 4.17 0.00 1.95 1.91 0.00 3.08 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.01 0.00 66 L 8.25 4.50 0.00 1.57 1.55 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.79 4.25 0.00 2.00 1.92 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 2.36 2.41 0.00 68 E 8.61 4.05 0.00 1.91 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 2.30 2.35 0.00