NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.3195 8.0433 122.7522 54.6762 43.8738 175.4777 10 L 4.2696 8.5952 126.8586 53.7233 42.0297 174.5952 11 L 4.9080 8.3667 125.7980 53.2031 45.5581 175.0748 12 E 4.7129 8.3114 120.9604 55.1596 32.2733 174.2039 13 C 4.8927 8.4637 122.6611 58.3734 29.5910 173.1747 14 T 5.4667 8.7128 117.4883 60.0418 69.9190 172.5234 15 E 4.2801 8.4159 124.7275 54.4436 31.5162 174.8913 16 C 4.2150 7.9932 122.6669 60.1938 29.3930 174.0946 17 K 3.8859 8.8585 120.6258 57.0023 29.5947 174.6185 18 R 4.6323 7.4170 115.7035 55.4744 34.0941 175.3800 19 R 4.4481 8.1099 111.7132 54.2717 29.1569 173.0982 20 N 4.8138 7.5964 122.1985 52.9503 43.2616 172.3891 21 Y 6.2476 8.3821 121.2335 56.0030 41.5750 174.2349 22 A 4.6582 8.0763 118.8243 51.0254 22.4154 176.0330 23 T 4.0201 8.4310 111.4715 62.2533 69.7092 173.2955 24 E 4.5790 8.3455 122.3421 56.2982 34.1558 174.9570 25 K 4.3140 8.1976 121.1515 56.3038 33.4012 174.5587 26 N 4.7752 8.2560 126.9368 52.6509 40.6511 173.7096 27 K 4.6614 8.1961 118.8977 53.9241 35.4057 175.0982 28 R 3.9072 8.7298 123.2297 58.2713 29.3479 176.8407 29 N 4.4836 8.9203 117.2020 56.1484 40.3217 175.1996 30 T 3.8607 7.8767 113.5829 63.2131 68.8401 170.5721 31 P 4.2363 0.0000 0.0000 62.1719 30.6701 174.1864 32 N 4.4337 7.7492 112.4872 53.0801 40.9381 174.4457 33 K 4.2564 8.8436 121.9865 57.4153 33.3712 177.1740 34 L 4.7140 7.5340 115.6786 53.9082 42.8468 175.5103 35 E 4.5141 8.2624 118.6862 54.1899 31.7401 174.6528 36 L 5.0070 8.2341 129.1590 55.4069 41.3973 176.7965 37 R 4.2717 7.9975 118.4824 56.7186 31.3690 176.5413 38 K 4.3735 8.6768 124.2380 57.3416 33.6844 174.3971 39 Y 4.5416 8.0806 122.2307 57.3516 43.0843 172.3435 40 C 4.4406 7.2242 119.9037 56.7412 32.7963 171.6943 41 P 4.7779 0.0000 0.0000 61.6700 32.4672 176.4469 42 W 5.2498 8.8358 127.9915 60.6992 30.9036 176.6689 43 C 4.1687 8.1203 115.0288 60.6973 28.6228 175.1900 44 R 3.6003 8.4095 122.7920 56.8818 28.4486 175.3097 45 K 4.4120 8.3472 118.5530 57.3227 36.1120 172.4080 46 H 4.1517 9.1594 126.2517 56.0051 26.9967 174.0209 47 T 4.8330 8.3873 113.3550 59.8352 71.6327 173.8558 48 V 3.9316 8.6347 116.7969 62.3502 32.9931 174.5907 49 H 5.2373 8.4736 121.2254 53.2770 31.1402 174.1697 50 R 4.4208 8.4350 121.9261 54.8316 31.7617 175.7001 51 E 3.9537 9.0712 121.8046 54.0170 29.6023 177.0054 52 V 3.6380 8.0030 123.9205 63.4515 32.6496 172.7109 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 9 L 8.04 4.32 0.00 1.73 1.59 0.90 0.30 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 10 L 8.60 4.27 0.00 1.62 1.56 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.37 4.91 0.00 1.68 1.43 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.31 4.71 0.00 1.69 1.71 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 1.96 1.94 0.00 13 C 8.46 4.89 0.00 2.76 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 14 T 8.71 5.47 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 15 E 8.42 4.28 0.00 1.96 1.76 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 2.16 2.20 0.00 16 C 7.99 4.21 0.00 3.11 2.83 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 17 K 8.86 3.89 0.00 1.87 1.86 0.00 1.75 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 1.35 1.38 7.81 18 R 7.42 4.63 0.00 1.85 1.80 0.00 3.57 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 19 R 8.11 4.45 0.00 1.70 1.80 0.00 2.97 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 20 N 7.60 4.81 0.00 2.72 2.78 0.00 0.00 6.87 7.56 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 21 Y 8.38 6.25 0.00 2.88 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 22 A 8.08 4.66 0.81 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 0.00 0.00 23 T 8.43 4.02 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 1.20 0.00 0.00 24 E 8.35 4.58 0.00 1.82 1.83 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 2.09 2.13 0.00 25 K 8.20 4.31 0.00 1.70 1.67 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.66 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.56 7.81 26 N 8.26 4.78 0.00 2.83 2.71 0.00 0.00 7.00 6.56 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 27 K 8.20 4.66 0.00 1.74 1.66 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.32 7.81 28 R 8.73 3.91 0.00 1.74 1.70 0.00 3.27 0.00 0.00 3.14 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 29 N 8.92 4.48 0.00 2.72 2.82 0.00 0.00 6.90 7.70 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 30 T 7.88 3.86 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 31 P 0.00 4.24 0.00 2.03 2.07 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 32 N 7.75 4.43 0.00 2.77 2.96 0.00 0.00 7.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.84 4.26 0.00 1.73 1.84 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.34 7.81 34 L 7.53 4.71 0.00 1.73 1.66 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.26 4.51 0.00 2.04 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 2.24 2.35 0.00 36 L 8.23 5.01 0.00 1.69 1.73 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.00 4.27 0.00 1.87 1.94 0.00 3.20 0.00 0.00 3.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 38 K 8.68 4.37 0.00 1.84 1.80 0.00 1.93 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.55 7.81 39 Y 8.08 4.54 0.00 2.98 2.46 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 40 C 7.22 4.44 0.00 2.50 2.36 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 41 P 0.00 4.78 0.00 2.36 2.37 0.00 3.85 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 42 W 8.84 5.25 0.00 3.20 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 43 C 8.12 4.17 0.00 3.03 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 44 R 8.41 3.60 0.00 1.92 1.88 0.00 3.21 0.00 0.00 3.21 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 45 K 8.35 4.41 0.00 1.71 1.72 0.00 1.99 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.42 7.81 46 H 9.16 4.15 0.00 3.32 3.36 0.00 5.70 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.39 4.83 4.28 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 1.25 0.00 0.00 48 V 8.63 3.93 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 0.84 0.00 0.00 0.96 0.00 0.00 49 H 8.47 5.24 0.00 3.11 3.20 0.00 5.80 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 50 R 8.43 4.42 0.00 1.74 1.86 0.00 3.58 0.00 0.00 3.24 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.41 0.00 51 E 9.07 3.95 0.00 2.04 1.74 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 2.35 2.28 0.00 52 V 8.00 3.64 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 0.80 0.00 0.00 0.95 0.00 0.00