NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 3.1864 8.0249 121.4112 60.8802 37.5120 174.0514 4 K 4.1345 7.2816 122.5281 53.9334 33.9418 172.1712 5 V 4.1770 8.0017 121.9908 62.3633 33.2360 173.1962 6 R 4.1241 8.6399 126.2638 57.5490 30.9381 176.5143 7 E 3.6958 8.2712 112.6775 57.0044 26.1161 174.0765 8 N 4.2651 8.2662 121.1446 53.7691 39.8669 169.7856 9 E 3.6244 8.5806 130.1024 54.1975 30.5054 172.1366 10 P 3.7999 0.0000 0.0000 62.5259 31.7076 175.7973 11 F 4.6634 7.7720 111.7556 56.4723 39.3757 174.4086 12 D 4.8084 8.9845 129.9971 54.5244 38.4857 176.6855 13 V 4.3904 7.4729 117.0567 59.4467 34.1731 176.6147 14 A 4.0452 8.8973 128.2133 53.1533 18.8043 176.7450 15 L 3.6837 8.0240 116.0069 55.9660 40.9783 176.3097 16 R 4.0463 8.0963 117.7417 58.7109 29.9892 176.9625 17 R 3.9288 8.1862 117.8132 59.2727 29.8979 177.8888 18 F 3.9068 7.8738 119.6914 61.5392 39.2600 177.1764 19 K 4.1212 8.2420 117.5182 59.6732 31.5679 178.8840 20 R 4.5434 7.4791 115.2156 56.2954 29.7861 176.8907 21 S 4.7942 7.8594 111.9982 57.5348 65.3161 173.2871 22 C 4.6651 8.1834 123.2573 59.6504 35.3901 176.8524 23 E 4.4602 9.4260 122.1490 53.2120 29.9124 176.6640 24 K 3.4365 8.8362 125.8316 57.7233 31.5823 173.3458 25 A 4.3312 8.4460 119.6655 53.0876 18.8127 176.5480 26 G 4.3554 8.9205 109.5519 46.5845 0.0000 175.4061 27 V 4.2618 7.4272 117.8382 64.2195 32.6142 177.3961 28 L 3.9044 8.0963 119.9554 58.3061 41.8417 178.8734 29 A 4.0582 7.9487 118.5529 54.7550 18.3234 178.8854 30 E 4.0641 7.9361 117.0444 59.4639 30.0817 178.4388 31 V 3.8852 7.5968 114.7231 64.0442 31.8410 176.8521 32 R 3.5404 7.7675 114.9511 63.3239 30.1218 180.7721 33 R 4.2300 7.9741 127.5645 55.6392 31.4051 175.3730 34 R 4.2410 8.2877 112.4944 56.6191 30.2900 176.7280 35 E 4.2289 7.6999 116.7043 56.6006 28.7210 176.1389 36 F 4.7372 7.4607 123.6151 59.5531 46.6870 174.6008 37 Y 4.3850 8.1948 121.4208 58.4057 36.2917 170.4348 38 E 4.7357 7.8377 112.7709 56.2934 32.5011 177.3082 39 K 3.8279 8.4395 119.1655 58.7842 32.7535 177.3001 40 P 3.8377 0.0000 0.0000 65.8266 31.4290 178.4458 41 T 3.9065 7.1010 108.2064 62.9372 68.1590 173.2240 42 T 4.3818 6.8856 109.6062 61.8855 71.9838 175.1243 43 E 3.8654 8.3277 125.5002 58.7916 30.3122 179.3610 44 R 4.0894 7.8248 117.5404 58.4496 30.1273 178.0749 45 K 4.3591 7.6411 114.7737 56.9903 32.6118 178.0112 46 R 4.3496 7.8685 118.5951 56.5770 30.5234 177.7932 47 A 4.1045 7.8021 121.1684 54.0674 18.2914 179.6844 48 K 3.9342 7.9430 117.3675 59.8096 32.9032 178.8983 49 A 3.9897 7.4750 120.3334 53.9459 18.3852 178.6012 50 S 4.4866 7.7071 111.4582 60.1192 64.2942 176.1524 51 A 3.9892 8.2987 123.6996 54.4114 18.0470 179.3576 52 V 3.7166 7.6818 117.6505 64.9175 31.2472 176.1997 53 K 4.0392 8.1966 124.1457 56.7114 32.3991 174.6885 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 3 I 8.02 3.19 1.71 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.05 0.57 0.00 0.00 4 K 7.28 4.13 0.00 1.68 1.64 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.42 7.81 5 V 8.00 4.18 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 0.78 0.00 0.00 0.90 0.00 0.00 6 R 8.64 4.12 0.00 1.80 1.93 0.00 3.43 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 7 E 8.27 3.70 0.00 2.41 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 2.35 2.36 0.00 8 N 8.27 4.27 0.00 2.67 2.77 0.00 0.00 7.23 7.65 0.00 0.00 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 8.58 3.62 0.00 2.11 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 2.34 2.38 0.00 10 P 0.00 3.80 0.00 2.11 1.91 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.87 0.00 11 F 7.77 4.66 0.00 2.99 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 12 D 8.98 4.81 0.00 2.74 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 13 V 7.47 4.39 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 0.68 0.00 0.00 0.88 0.00 0.00 14 A 8.90 4.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 3.68 0.00 1.82 1.73 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.10 4.05 0.00 1.99 1.94 0.00 3.35 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 17 R 8.19 3.93 0.00 1.87 2.01 0.00 3.35 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 18 F 7.87 3.91 0.00 3.26 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 19 K 8.24 4.12 0.00 1.94 1.92 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.56 7.81 20 R 7.48 4.54 0.00 1.91 1.95 0.00 3.28 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 21 S 7.86 4.79 0.00 3.80 3.76 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 22 C 8.18 4.67 0.00 3.07 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 23 E 9.43 4.46 0.00 2.02 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 2.37 2.26 0.00 24 K 8.84 3.44 0.00 2.03 1.69 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.38 7.81 25 A 8.45 4.33 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.92 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 0.00 0.00 0.00 0.00 27 V 7.43 4.26 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 1.07 0.00 0.00 0.95 0.00 0.00 28 L 8.10 3.90 0.00 1.86 1.65 0.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.95 4.06 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 30 E 7.94 4.06 0.00 2.25 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 0.00 2.41 2.53 0.00 31 V 7.60 3.89 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 0.85 0.00 0.00 1.01 0.00 0.00 32 R 7.77 3.54 0.00 2.01 1.87 0.00 3.30 0.00 0.00 3.14 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 33 R 7.97 4.23 0.00 1.75 1.66 0.00 3.27 0.00 0.00 3.20 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 34 R 8.29 4.24 0.00 1.88 1.93 0.00 2.87 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 35 E 7.70 4.23 0.00 1.52 1.12 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 2.06 2.19 0.00 36 F 7.46 4.74 0.00 2.77 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 37 Y 8.19 4.39 0.00 3.22 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 38 E 7.84 4.74 0.00 2.18 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 0.00 2.33 2.47 0.00 39 K 8.44 3.83 0.00 2.23 2.12 0.00 1.89 0.00 0.00 1.97 0.00 0.00 3.18 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.65 1.57 7.81 40 P 0.00 3.84 0.00 2.04 1.86 0.00 3.75 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.91 0.00 41 T 7.10 3.91 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 42 T 6.89 4.38 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 1.24 0.00 0.00 43 E 8.33 3.87 0.00 1.94 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 0.00 2.34 2.37 0.00 44 R 7.82 4.09 0.00 1.93 1.82 0.00 2.87 0.00 0.00 2.48 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.52 0.00 45 K 7.64 4.36 0.00 1.78 1.81 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.61 7.81 46 R 7.87 4.35 0.00 2.04 1.93 0.00 3.11 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 47 A 7.80 4.10 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 48 K 7.94 3.93 0.00 2.02 2.05 0.00 1.40 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.54 7.81 49 A 7.47 3.99 1.40 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 0.00 0.00 50 S 7.71 4.49 0.00 4.03 4.09 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 0.00 0.00 0.00 51 A 8.30 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 3.72 2.16 0.00 0.00 0.00 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 53 K 8.20 4.04 0.00 1.68 1.64 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.36 7.81