NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.3849 8.4444 120.2324 55.3085 30.1932 173.9165 9 Q 4.3466 7.6010 119.9519 54.4454 32.2897 171.7487 10 A 4.3074 8.1727 124.6460 51.4780 20.5511 177.4697 11 C 3.4439 7.7505 115.3930 57.4010 32.0782 174.7325 12 D 4.2494 8.3980 121.4763 57.1484 40.2376 179.4764 13 I 3.7140 7.5191 120.1248 64.5400 37.4910 177.9097 14 C 4.1994 8.0019 116.9430 62.5594 27.8743 176.0173 15 R 3.8190 8.0894 120.9608 59.1904 29.6186 177.8913 16 L 4.3278 7.6806 116.2314 56.4288 41.0069 177.5783 17 K 4.2894 7.8617 118.3454 55.0695 33.8532 175.7268 18 K 3.8202 7.6943 118.2085 57.8679 29.9241 174.4058 19 L 4.8380 8.0224 116.7455 52.0554 45.3741 177.3124 20 K 3.9082 8.6110 122.0394 57.0330 32.5014 175.7339 21 C 4.7834 8.4846 126.0195 57.8042 33.2196 173.3172 22 S 4.4456 8.5547 117.6296 57.7542 63.4696 174.9577 23 K 4.4513 8.4597 118.0116 56.1708 29.6071 175.3008 24 E 4.2995 7.6928 116.7892 54.6644 28.4388 176.1720 25 K 3.9318 8.0841 125.1847 56.1023 32.7001 175.9041 26 P 4.3708 0.0000 0.0000 63.7271 32.0302 176.1139 27 K 4.5586 7.7432 117.7917 53.7597 34.8454 176.2577 28 C 4.5375 8.8087 119.7010 57.6693 31.8400 174.0179 29 A 3.9551 8.3157 124.5204 55.7511 17.8290 180.6825 30 K 3.7845 7.9568 116.0236 59.9095 32.3318 179.3907 31 C 3.8841 8.0400 116.4089 62.3861 27.8538 175.5844 32 L 3.8850 7.7516 121.6227 57.8096 41.8140 178.2644 33 K 3.8752 8.2554 119.0457 59.7703 32.2882 177.9406 34 N 4.0709 8.2310 113.5965 52.1320 39.8509 174.2633 35 N 4.1199 7.7013 118.2532 54.6156 37.4018 172.4877 36 W 5.1442 7.5240 117.3939 54.6592 33.0849 175.2814 37 E 4.3160 8.7388 121.1125 55.6687 29.7654 175.1118 38 C 4.7488 8.5948 126.3619 57.8044 33.3720 172.6766 39 R 4.7328 8.3144 125.5170 55.4569 32.8149 173.2285 40 Y 5.0452 8.6570 123.1409 56.2073 37.9231 175.3446 41 S 4.5614 8.7343 120.2647 57.3006 63.8603 172.9740 42 P 4.6112 0.0000 0.0000 61.2024 33.0777 175.0737 43 K 3.8279 8.5413 117.9901 56.8355 31.6804 177.0307 44 T 3.8440 8.5085 115.0322 61.8742 68.6718 174.1263 45 K 4.2746 8.4347 126.0690 55.8340 33.0424 176.2520 46 R 4.7068 8.0270 119.9220 54.3397 33.9943 174.8667 47 S 4.4731 8.2991 113.3231 56.9179 64.2176 171.6883 48 P 4.4191 0.0000 0.0000 62.2258 32.3143 177.1979 49 L 4.3072 8.3345 127.9709 54.0899 40.8135 175.3413 50 T 4.6391 7.1933 112.6268 59.7225 73.2073 175.8417 51 R 3.8514 8.2762 119.6060 59.4458 30.1482 178.9425 52 A 3.9981 8.0413 120.0664 55.7061 18.2751 179.0347 53 H 3.7662 7.9720 115.2867 59.0161 29.8758 177.3292 54 L 3.8872 7.7885 121.9446 58.3763 41.8708 179.1291 55 T 3.9430 8.1514 115.5832 66.7982 68.4565 176.3667 56 E 3.8542 8.9228 122.7154 59.3700 29.7193 179.6649 57 V 3.5646 7.5467 118.7640 64.8733 31.7161 178.1720 58 E 4.0573 8.7421 118.8425 58.5039 29.3484 179.2518 59 S 4.5906 8.2128 118.3803 61.1840 62.7027 176.5801 60 R 4.0557 7.9538 119.4421 58.2661 30.0771 178.3801 61 L 4.1960 7.8484 120.8804 57.6384 42.2376 178.3736 62 E 4.2529 8.7019 117.6488 59.2018 29.0612 178.8794 63 R 4.1571 7.7813 117.7341 57.8684 30.3893 176.8670 64 L 4.3066 8.2130 123.5902 54.9346 41.8352 176.4723 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 E 8.44 4.38 0.00 1.99 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 2.24 2.32 0.00 9 Q 7.60 4.35 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 10 A 8.17 4.31 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 11 C 7.75 3.44 0.00 2.57 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 0.00 0.00 0.00 12 D 8.40 4.25 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.52 3.71 1.91 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.87 1.07 0.00 0.00 14 C 8.00 4.20 0.00 3.06 3.22 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 0.00 0.00 0.00 15 R 8.09 3.82 0.00 2.00 1.99 0.00 3.10 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 16 L 7.68 4.33 0.00 1.80 1.73 0.86 0.71 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 17 K 7.86 4.29 0.00 1.84 1.89 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.35 1.60 7.81 18 K 7.69 3.82 0.00 1.89 1.83 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.57 7.81 19 L 8.02 4.84 0.00 1.56 1.55 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.61 3.91 0.00 1.70 1.74 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.51 7.81 21 C 8.48 4.78 0.00 2.93 2.79 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 22 S 8.55 4.45 0.00 4.06 4.10 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 0.00 0.00 0.00 0.00 23 K 8.46 4.45 0.00 1.97 2.07 0.00 1.72 0.00 0.00 2.08 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.60 7.81 24 E 7.69 4.30 0.00 2.12 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 0.00 2.33 2.47 0.00 25 K 8.08 3.93 0.00 1.61 1.59 0.00 0.72 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.08 1.02 7.81 26 P 0.00 4.37 0.00 2.17 2.14 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 27 K 7.74 4.56 0.00 1.73 1.76 0.00 1.80 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.37 1.36 7.81 28 C 8.81 4.54 0.00 3.26 3.30 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 29 A 8.32 3.96 1.35 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 30 K 7.96 3.78 0.00 1.84 1.80 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.52 7.81 31 C 8.04 3.88 0.00 3.06 3.31 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 32 L 7.75 3.89 0.00 1.64 1.65 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.26 3.88 0.00 1.70 1.91 0.00 1.76 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.41 7.81 34 N 8.23 4.07 0.00 1.44 1.42 0.00 0.00 7.11 7.00 0.00 0.00 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 N 7.70 4.12 0.00 2.77 2.81 0.00 0.00 6.94 7.25 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 36 W 7.52 5.14 0.00 3.38 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 37 E 8.74 4.32 0.00 1.97 1.89 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 2.32 2.27 0.00 38 C 8.59 4.75 0.00 3.09 2.93 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 39 R 8.31 4.73 0.00 1.92 1.72 0.00 3.30 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 40 Y 8.66 5.05 0.00 2.96 2.90 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 41 S 8.73 4.56 0.00 4.02 3.81 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 P 0.00 4.61 0.00 2.19 2.11 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 43 K 8.54 3.83 0.00 1.77 1.85 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.40 7.81 44 T 8.51 3.84 4.24 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 1.21 0.00 0.00 45 K 8.43 4.27 0.00 1.77 1.77 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.46 7.81 46 R 8.03 4.71 0.00 1.73 1.82 0.00 3.20 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 47 S 8.30 4.47 0.00 3.86 3.85 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 48 P 0.00 4.42 0.00 2.17 2.06 0.00 3.34 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 49 L 8.33 4.31 0.00 1.62 1.65 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.19 4.64 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 1.21 0.00 0.00 51 R 8.28 3.85 0.00 1.85 2.01 0.00 3.31 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 52 A 8.04 4.00 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 53 H 7.97 3.77 0.00 3.24 3.33 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.79 3.89 0.00 2.03 1.75 0.92 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.15 3.94 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 1.20 0.00 0.00 56 E 8.92 3.85 0.00 1.97 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 0.00 2.30 2.37 0.00 57 V 7.55 3.56 2.13 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 0.80 0.00 0.00 0.88 0.00 0.00 58 E 8.74 4.06 0.00 2.12 2.24 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 2.53 2.48 0.00 59 S 8.21 4.59 0.00 4.10 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 60 R 7.95 4.06 0.00 1.97 1.98 0.00 3.15 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 61 L 7.85 4.20 0.00 1.89 1.79 0.92 0.71 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 62 E 8.70 4.25 0.00 2.17 2.35 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 2.45 2.35 0.00 63 R 7.78 4.16 0.00 1.90 2.02 0.00 3.20 0.00 0.00 3.44 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 64 L 8.21 4.31 0.00 1.74 1.58 0.98 0.78 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