NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 C 4.5147 8.3293 115.5931 57.3429 31.3503 172.8907 9 F 4.7587 6.9312 113.2341 54.9716 40.4109 172.4334 10 A 4.2242 8.5558 125.5705 52.7653 20.0511 179.2975 11 T 4.7477 8.3098 110.8669 61.8384 69.5856 176.9995 12 L 4.0949 7.9453 124.3196 58.4449 41.6533 179.2404 13 G 3.6327 8.1373 105.0252 47.7869 0.0000 175.3584 14 A 4.0735 8.0629 122.6958 55.2032 18.1884 179.7530 15 T 3.8286 7.4966 112.9798 66.7003 68.8277 176.6423 16 L 3.8488 7.6806 120.8374 57.7656 41.5675 179.4677 17 Q 4.3610 8.3806 118.2696 59.3854 28.5277 178.7903 18 D 4.5472 8.1361 117.9167 56.4544 41.0701 177.8832 19 S 4.5426 7.9921 114.7682 57.5372 63.2252 174.0286 20 I 3.9758 6.9794 123.7634 63.0825 37.1672 176.5587 21 G 3.9733 9.7553 114.2486 45.1993 0.0000 173.0287 22 K 4.6928 7.9627 119.2244 54.2677 35.4748 175.4298 23 Q 4.6233 8.4776 123.3689 56.3689 30.5201 175.1347 24 V 4.9577 9.1731 118.3340 59.5518 36.5826 173.9209 25 L 5.0589 8.9572 125.3330 53.5240 44.3169 175.2804 26 V 4.7641 9.1877 125.7436 61.0458 34.6662 174.0917 27 K 4.7879 7.8077 126.9068 54.5548 35.0508 175.2740 28 L 5.1435 8.4202 122.6436 52.2722 45.9294 176.0355 29 R 4.0399 8.4951 119.3082 57.1644 30.8647 176.3005 30 D 4.3223 9.0676 117.4181 55.9039 38.0668 174.2622 31 S 3.7563 8.2113 110.3302 59.8606 60.6566 171.8573 32 H 4.6306 7.5545 115.7511 55.2520 30.2786 174.2004 33 E 4.9433 8.6724 122.2005 54.5918 32.7218 174.2339 34 I 5.2345 8.9062 126.8863 59.6727 41.9221 174.5929 35 R 5.0842 8.6960 123.1263 54.5931 34.4732 174.7606 36 G 4.1782 8.2536 107.9338 46.1877 0.0000 171.8566 37 I 4.7838 8.1214 121.4753 59.8343 38.6185 175.6395 38 L 4.3804 8.9223 130.6700 55.4516 42.2407 177.1997 39 R 4.1227 8.6140 125.0940 57.0304 32.5504 176.0789 40 S 4.7286 7.9165 110.7704 57.8365 65.6416 173.8553 41 F 5.8847 8.1739 117.8738 57.2931 40.7020 172.0536 42 D 4.9516 8.4780 118.3404 51.2028 42.2643 176.1453 43 Q 4.1228 8.6275 115.8332 59.1255 28.7524 176.5493 44 H 4.5677 8.3060 114.8511 55.2698 28.7678 175.6322 45 V 3.2412 8.0037 118.6933 63.7770 30.5127 170.9933 46 N 4.9673 8.4901 115.3938 52.7814 39.6767 174.2923 47 L 5.3389 9.2778 122.0081 52.8560 46.4799 175.1007 48 L 5.0996 9.0077 123.8466 53.4242 44.5081 175.1566 49 L 5.3387 9.3996 126.4965 53.0401 45.2706 175.4073 50 E 4.8664 8.8412 120.5383 54.7365 33.4565 175.4675 51 D 4.5183 8.7579 117.9846 55.3024 38.9366 174.1576 52 A 4.7585 8.2476 119.6478 52.1526 19.9863 177.3795 53 E 5.1418 9.4225 116.9465 55.1552 33.6916 173.8684 54 E 5.0507 9.2450 120.6857 54.9457 32.5338 175.1815 55 I 4.9930 8.7052 124.5732 59.8764 38.9139 175.5165 56 I 4.4272 8.7665 128.7100 60.3985 39.7516 175.8576 57 D 4.3883 9.9176 127.0428 55.4463 38.2292 175.0342 58 G 3.9853 8.3778 104.6801 45.6046 0.0000 173.1965 59 N 4.9834 8.1624 117.5169 51.4519 41.6277 173.7859 60 V 4.6713 8.0603 121.3538 61.6338 33.3763 174.3855 61 Y 4.5597 9.1481 126.1467 56.0015 40.1550 175.1928 62 K 4.4346 8.7647 124.7019 56.5007 32.3537 177.1952 63 R 4.4452 9.6955 123.2212 54.3305 33.2454 176.8097 64 G 4.0168 8.4866 104.4476 44.7166 0.0000 175.7776 65 T 4.6983 8.4591 120.5497 63.0818 69.1442 172.4491 66 M 4.7354 9.3444 125.8311 53.9259 35.9800 173.5496 67 V 4.6308 8.5034 125.9921 61.5051 33.2698 174.7478 68 V 4.4299 8.8658 128.2013 61.0008 34.3558 174.7695 69 R 4.6608 8.5950 127.1490 55.4345 30.7519 177.6817 70 G 4.1172 9.3288 112.8175 47.1476 0.0000 174.9897 71 E 3.8741 8.2979 119.7087 58.6919 29.7782 176.9619 72 N 4.7985 8.0186 113.7051 52.6730 39.0037 174.2816 73 V 4.0274 7.6109 119.5231 62.6246 32.3146 175.5780 74 L 4.4978 8.7994 128.6490 56.7223 42.0634 176.7614 75 F 5.0792 7.2854 111.5743 55.7625 41.4871 172.3661 76 I 5.1507 8.5119 119.6924 59.7050 40.5179 175.0823 77 S 4.6695 9.5728 121.3398 55.6276 65.4642 171.2614 78 P 4.7595 0.0000 0.0000 62.8290 31.6717 176.3398 79 V 3.7581 8.4398 124.8185 62.0640 32.1520 174.1944 80 P 4.4336 0.0000 0.0000 62.9084 31.1974 176.1409 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 8 C 8.33 4.51 0.00 3.14 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 9 F 6.93 4.76 0.00 3.15 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 10 A 8.56 4.22 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 11 T 8.31 4.75 4.31 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 1.21 0.00 0.00 12 L 7.95 4.09 0.00 1.77 1.74 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.14 3.63 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 0.00 0.00 0.00 14 A 8.06 4.07 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 15 T 7.50 3.83 4.36 0.00 0.00 0.00 0.00 0.00 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 16 L 7.68 3.85 0.00 1.02 0.13 0.41 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.38 4.36 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.79 3.00 0.00 18 D 8.14 4.55 0.00 2.83 2.75 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 19 S 7.99 4.54 0.00 3.93 3.87 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 0.00 0.00 0.00 20 I 6.98 3.98 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.87 0.96 0.00 0.00 21 G 9.76 3.97 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 0.00 0.00 0.00 22 K 7.96 4.69 0.00 1.80 1.71 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.37 7.81 23 Q 8.48 4.62 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 24 V 9.17 4.96 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 0.81 0.00 0.00 1.02 0.00 0.00 25 L 8.96 5.06 0.00 1.80 1.77 1.08 0.93 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 26 V 9.19 4.76 2.03 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 0.96 0.00 0.00 0.92 0.00 0.00 27 K 7.81 4.79 0.00 0.79 1.28 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.16 0.97 7.81 28 L 8.42 5.14 0.00 1.53 1.64 0.86 1.01 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 29 R 8.50 4.04 0.00 1.69 1.88 0.00 3.46 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 30 D 9.07 4.32 0.00 2.91 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 31 S 8.21 3.76 0.00 3.93 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 32 H 7.55 4.63 0.00 3.10 3.16 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.67 4.94 0.00 1.97 1.75 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 2.27 2.30 0.00 34 I 8.91 5.23 1.85 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 1.23 0.74 0.93 0.00 0.00 35 R 8.70 5.08 0.00 1.73 1.78 0.00 3.20 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 36 G 8.25 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 37 I 8.12 4.78 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 1.13 0.61 0.91 0.00 0.00 38 L 8.92 4.38 0.00 1.80 1.76 1.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.61 4.12 0.00 1.73 1.95 0.00 3.43 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 40 S 7.92 4.73 0.00 3.83 3.64 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 0.00 0.00 0.00 0.00 41 F 8.17 5.88 0.00 3.14 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 42 D 8.48 4.95 0.00 2.86 2.78 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 43 Q 8.63 4.12 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.13 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 44 H 8.31 4.57 0.00 3.36 3.39 0.00 5.72 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.00 3.24 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 0.92 0.00 0.00 0.96 0.00 0.00 46 N 8.49 4.97 0.00 3.05 2.75 0.00 0.00 6.81 6.13 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 47 L 9.28 5.34 0.00 1.53 1.56 0.93 0.46 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 48 L 9.01 5.10 0.00 1.73 1.52 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.40 5.34 0.00 1.58 1.52 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.84 4.87 0.00 1.90 1.81 0.00 0.00 0.00 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 2.26 0.00 51 D 8.76 4.52 0.00 2.80 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 52 A 8.25 4.76 1.25 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 0.00 0.00 0.00 53 E 9.42 5.14 0.00 2.03 2.03 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 2.31 2.32 0.00 54 E 9.24 5.05 0.00 2.01 1.91 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 2.24 2.28 0.00 55 I 8.71 4.99 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.61 0.95 0.00 0.00 56 I 8.77 4.43 2.02 0.00 0.00 0.47 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 0.88 0.89 0.00 0.00 57 D 9.92 4.39 0.00 2.84 2.74 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 58 G 8.38 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 0.00 0.00 0.00 59 N 8.16 4.98 0.00 2.76 2.48 0.00 0.00 6.44 8.40 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 60 V 8.06 4.67 2.02 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 0.82 0.00 0.00 0.92 0.00 0.00 61 Y 9.15 4.56 0.00 2.93 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 4.43 0.00 1.66 1.76 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 63 R 9.70 4.45 0.00 1.62 1.95 0.00 3.33 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 64 G 8.49 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 0.00 0.00 0.00 65 T 8.46 4.70 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 66 M 9.34 4.74 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.46 0.00 67 V 8.50 4.63 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 0.82 0.00 0.00 0.93 0.00 0.00 68 V 8.87 4.43 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 0.83 0.00 0.00 0.92 0.00 0.00 69 R 8.60 4.66 0.00 1.91 1.84 0.00 3.18 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 70 G 9.33 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 71 E 8.30 3.87 0.00 1.94 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 2.29 2.35 0.00 72 N 8.02 4.80 0.00 2.79 2.77 0.00 0.00 6.55 8.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 7.61 4.03 2.22 0.00 0.00 0.00 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 0.91 0.00 0.00 74 L 8.80 4.50 0.00 1.45 1.74 0.94 0.81 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 75 F 7.29 5.08 0.00 3.02 3.11 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 76 I 8.51 5.15 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.92 0.00 0.00 77 S 9.57 4.67 0.00 3.78 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 78 P 0.00 4.76 0.00 2.12 2.05 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 79 V 8.44 3.76 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 0.77 0.00 0.00 0.96 0.00 0.00 80 P 0.00 4.43 0.00 2.08 1.95 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00