NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3926 8.2893 118.1922 55.0631 32.4132 175.1844 2 E 4.9834 7.9383 115.1957 55.0386 30.0939 173.4815 3 I 3.9869 8.2459 127.7978 61.6998 42.6698 173.6712 4 D 4.8727 7.3740 121.3489 52.9478 45.3588 173.6264 5 E 5.2840 8.1490 125.3791 57.2674 33.4301 176.7885 6 G 4.4845 8.9526 104.3448 46.0291 0.0000 173.1840 7 K 4.7872 8.2441 121.0146 56.0371 33.4046 175.6283 8 Y 5.0165 9.2360 122.8063 56.1774 41.4827 174.3681 9 E 5.2163 9.5524 124.7588 54.4681 33.3638 174.3901 10 C 4.1526 9.0220 127.3504 58.7616 31.8624 174.0110 11 E 4.0503 8.5374 127.9429 58.3440 29.4949 177.7399 12 A 4.1704 7.7572 121.2122 54.5120 19.0293 177.7814 13 C 4.4711 7.8930 107.1848 57.4413 30.7199 174.8582 14 G 4.2055 8.6423 109.2368 45.0537 0.0000 172.6613 15 Y 4.2217 7.6252 121.1355 58.1902 40.1980 175.2206 16 I 5.1395 5.8877 120.8643 59.9656 40.6833 174.4257 17 Y 4.7737 9.9814 130.3841 57.1968 40.2504 173.7975 18 E 4.7403 8.1377 126.0625 53.8999 31.5901 175.0764 19 P 4.8269 0.0000 0.0000 65.3382 32.2665 178.2012 20 E 4.2229 8.3417 119.3041 57.5487 29.5176 176.7946 21 K 4.2730 7.8802 116.2320 55.5826 34.2331 177.0817 22 G 4.2109 7.8992 103.3968 46.4471 0.0000 172.5041 23 D 4.9724 8.0443 117.6552 53.6028 40.9259 177.6277 24 K 3.9179 8.2872 122.4689 60.1335 32.5620 175.9179 25 F 4.1511 8.5917 118.4150 61.7244 39.1409 176.0945 26 A 4.5148 9.2890 119.6325 51.9239 19.8786 178.0987 27 G 4.8532 7.0251 119.7108 46.3832 0.0000 172.0125 28 I 4.8948 6.7980 119.2064 58.3825 42.3728 175.1386 29 P 4.8582 0.0000 0.0000 61.9064 32.3886 173.8227 30 P 4.7386 0.0000 0.0000 62.9774 32.8355 177.1087 31 G 3.7871 9.0302 108.0111 45.9950 0.0000 173.3398 32 T 4.4839 7.2045 118.1254 60.7789 69.7549 172.7138 33 P 4.8407 0.0000 0.0000 62.1832 32.3900 177.1721 34 F 2.8722 9.0567 122.7433 60.7353 39.1708 177.2318 35 V 3.5694 7.5345 111.9610 63.4281 31.4695 176.3650 36 D 4.4652 8.1110 118.9815 54.6065 41.1902 176.9322 37 L 3.7941 6.5309 119.9493 54.0056 42.2077 177.1040 38 S 4.3149 8.0714 116.1165 57.6395 63.9271 174.5321 39 D 4.4484 8.4767 119.6294 56.1439 40.9653 176.6084 40 S 4.6220 7.7013 112.7493 58.6110 63.7957 173.8176 41 F 4.1530 8.0715 124.8555 58.8423 40.0101 173.7782 42 M 4.9963 7.2171 124.1371 53.0707 35.2307 175.0779 43 C 4.3488 9.2818 123.9211 59.2473 32.2409 172.8054 44 P 3.9832 0.0000 0.0000 64.2186 31.3950 176.9178 45 A 4.0146 7.1361 121.6168 53.8754 19.8519 177.6077 46 C 4.4318 7.6104 107.3862 57.1663 30.2923 174.3968 47 R 3.7241 8.0821 118.8895 57.3116 28.7953 176.0357 48 S 4.4320 7.2748 112.2889 56.8790 63.6017 171.7630 49 P 4.6835 0.0000 0.0000 62.2551 31.9128 177.3309 50 K 3.9111 9.2714 123.0100 60.0150 32.1623 178.1514 51 N 4.6529 8.3731 114.2712 55.2766 38.5814 175.0490 52 Q 4.3593 9.3761 120.1202 56.1945 29.5484 174.5462 53 F 4.5967 8.6206 116.7492 57.4772 40.1152 175.3863 54 K 4.6816 8.8292 121.6814 54.4162 35.9989 176.2777 55 S 3.7192 7.8294 118.2689 57.2827 64.3951 174.1711 56 I 4.4064 7.8474 113.6649 58.2216 35.7986 176.4534 57 K 4.7201 7.3810 129.6782 55.0339 32.1065 176.6223 58 K 4.6927 7.9502 119.5124 55.6428 36.8463 176.6153 59 V 4.4844 8.1226 113.7691 60.1372 35.3076 175.4851 60 I 4.0677 8.3941 124.4586 61.4127 37.3508 175.4282 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 M 8.29 4.39 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 2 E 7.94 4.98 0.00 2.13 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 2.01 2.35 0.00 3 I 8.25 3.99 1.87 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 1.30 1.09 0.90 0.00 0.00 4 D 7.37 4.87 0.00 2.69 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 5.28 0.00 1.89 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.23 0.00 6 G 8.95 4.48 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 0.00 7 K 8.24 4.79 0.00 1.77 1.80 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.52 7.81 8 Y 9.24 5.02 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.55 5.22 0.00 1.89 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 2.36 2.33 0.00 10 C 9.02 4.15 0.00 2.71 2.86 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 E 8.54 4.05 0.00 1.86 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 2.28 2.21 0.00 12 A 7.76 4.17 1.20 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 0.00 0.00 13 C 7.89 4.47 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.64 4.21 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 15 Y 7.63 4.22 0.00 3.13 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 16 I 5.89 5.14 1.63 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 1.39 0.90 0.89 0.00 0.00 17 Y 9.98 4.77 0.00 3.47 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 18 E 8.14 4.74 0.00 1.77 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 2.24 2.16 0.00 19 P 0.00 4.83 0.00 2.15 2.46 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.91 0.00 20 E 8.34 4.22 0.00 1.93 1.98 0.00 0.00 0.00 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 2.32 0.00 21 K 7.88 4.27 0.00 1.74 1.76 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.35 7.81 22 G 7.90 4.21 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 23 D 8.04 4.97 0.00 3.14 2.87 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 24 K 8.29 3.92 0.00 1.84 1.91 0.00 1.85 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.56 7.81 25 F 8.59 4.15 0.00 3.42 3.14 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 26 A 9.29 4.51 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.03 4.85 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 0.00 0.00 0.00 28 I 6.80 4.89 2.09 0.00 0.00 1.00 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 0.87 0.97 0.00 0.00 29 P 0.00 4.86 0.00 2.12 2.19 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 30 P 0.00 4.74 0.00 2.20 2.29 0.00 3.92 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 2.07 1.81 0.00 31 G 9.03 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 32 T 7.20 4.48 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 P 0.00 4.84 0.00 2.25 2.23 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 34 F 9.06 2.87 0.00 2.38 1.93 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 35 V 7.53 3.57 2.05 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 0.82 0.00 0.00 0.96 0.00 0.00 36 D 8.11 4.47 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.53 3.79 0.00 0.46 0.58 -1.42 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.07 4.31 0.00 3.96 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 39 D 8.48 4.45 0.00 2.61 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 40 S 7.70 4.62 0.00 3.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.15 0.00 2.97 2.81 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 0.00 0.00 0.00 42 M 7.22 5.00 0.00 1.94 1.62 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 43 C 9.28 4.35 0.00 3.16 2.92 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 0.00 0.00 0.00 44 P 0.00 3.98 0.00 1.14 2.03 0.00 3.18 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.86 0.00 45 A 7.14 4.01 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 46 C 7.61 4.43 0.00 3.04 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 47 R 8.08 3.72 0.00 1.84 1.97 0.00 3.20 0.00 0.00 3.13 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.53 0.00 48 S 7.27 4.43 0.00 4.01 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 49 P 0.00 4.68 0.00 2.44 2.21 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.98 0.00 50 K 9.27 3.91 0.00 2.21 2.03 0.00 0.92 0.00 0.00 1.67 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.68 1.35 7.81 51 N 8.37 4.65 0.00 2.85 2.96 0.00 0.00 6.91 7.91 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 52 Q 9.38 4.36 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 53 F 8.62 4.60 0.00 3.40 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 54 K 8.83 4.68 0.00 1.55 1.51 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.45 7.81 55 S 7.83 3.72 0.00 3.37 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 56 I 7.85 4.41 1.82 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.70 0.83 0.00 0.00 57 K 7.38 4.72 0.00 1.84 1.83 0.00 1.12 0.00 0.00 0.73 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.23 1.34 7.81 58 K 7.95 4.69 0.00 1.76 1.64 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.50 7.81 59 V 8.12 4.48 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 0.86 0.00 0.00 0.92 0.00 0.00 60 I 8.39 4.07 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.57 0.90 0.00 0.00