NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3839 8.2644 123.5828 51.4790 20.8781 176.4035 3 K 4.1849 7.7593 117.4046 56.6727 35.2431 172.7672 4 H 3.4770 9.8486 109.4711 58.5030 29.5279 174.0248 5 P 4.4944 0.0000 0.0000 63.0669 32.7942 175.9868 6 V 4.5100 7.8111 120.2818 60.6274 34.5901 172.2276 7 P 4.4795 0.0000 0.0000 62.4323 31.9799 176.2839 8 K 4.2521 8.5286 121.5261 57.3383 32.7293 176.5832 9 K 4.5624 7.5865 116.4193 54.9882 36.0769 175.4583 10 K 3.8169 8.7373 124.4689 57.1939 32.4970 175.6553 11 T 4.4345 8.2614 115.9701 59.9729 70.3422 175.3387 12 S 4.2352 8.5794 120.7817 58.8336 64.7534 174.7168 13 K 3.7490 9.1365 121.7654 60.3347 31.7983 179.9099 14 A 3.8206 7.3620 119.6150 55.0528 18.9285 179.5108 15 R 3.9558 8.2238 116.5383 59.4143 30.4343 178.0501 16 R 3.9446 8.4330 119.0424 59.6353 29.9274 177.8931 17 D 4.3056 8.8531 118.1814 57.5396 41.0350 178.6828 18 A 3.8787 8.3619 121.3919 55.6147 18.0593 179.6656 19 R 3.8852 7.6836 115.5381 59.1622 30.2913 177.9169 20 R 3.8533 8.4276 117.0320 55.8832 30.0555 178.0137 21 S 4.1453 7.5969 115.1933 60.5668 62.7055 174.3390 22 H 4.8546 7.7132 118.0576 56.1157 29.9258 175.1813 23 H 4.2602 8.3332 116.3728 56.8311 28.9163 175.7260 24 A 4.1181 7.1243 122.4253 52.4841 18.7094 177.0760 25 L 4.5076 8.1840 119.8372 54.0426 43.1554 176.4703 26 T 4.5171 8.1087 118.2166 61.1948 69.9275 173.3380 27 P 4.4558 0.0000 0.0000 61.4816 32.1831 174.4846 28 P 4.3093 0.0000 0.0000 63.3488 31.8485 175.3246 29 T 4.4494 8.3142 115.4974 61.4673 68.6837 173.3147 30 L 5.0704 8.3078 126.7190 54.0009 46.3766 175.0495 31 V 4.0968 8.8313 112.5870 59.8578 36.2555 172.7044 32 P 3.7131 0.0000 0.0000 63.2925 31.0382 173.1015 33 C 3.4951 8.0286 131.1874 58.3421 29.7910 171.9350 34 P 4.2686 0.0000 0.0000 66.0154 30.8100 177.9602 35 E 4.0749 8.2046 116.7563 58.9839 29.7222 177.9252 36 C 4.7016 7.1886 111.6789 55.7771 41.2156 174.3225 37 K 4.1836 8.4541 119.4980 57.4045 31.7149 177.0853 38 A 4.5084 7.6015 122.2683 52.2440 20.6846 176.8889 39 M 5.1583 8.4098 116.0995 53.7896 35.3057 175.5646 40 K 4.8584 9.1070 122.2079 54.0438 36.8623 173.8978 41 P 4.9694 0.0000 0.0000 61.7804 31.9979 174.4106 42 P 4.2683 0.0000 0.0000 64.0068 31.8772 175.3318 43 H 4.2666 8.6553 113.6672 56.9811 26.4175 174.9600 44 T 4.7874 7.3836 105.6108 59.4550 71.6131 173.8607 45 V 4.2025 8.3891 123.2467 63.3396 32.4567 174.9447 46 C 4.7238 8.6758 124.4751 58.6375 34.3455 174.3456 47 P 4.3334 0.0000 0.0000 63.9176 30.1316 175.0020 48 E 4.5782 8.9339 128.6788 56.9986 37.2852 179.5164 49 C 3.7741 9.7718 125.2556 59.4439 42.2811 177.6101 50 G 3.6340 9.4936 103.2378 46.0669 0.0000 175.8306 51 Y 5.0151 8.6579 121.4096 55.7495 42.3988 173.3660 52 Y 4.1356 9.5281 118.4107 59.2385 38.1193 176.7149 53 A 3.7082 8.5508 127.8032 53.1116 16.3871 176.2771 54 G 4.2087 7.6637 107.0133 43.5450 0.0000 173.2437 55 R 4.4543 7.9287 121.5784 53.8509 31.8463 175.4200 56 K 4.1792 8.3903 121.1822 56.8979 34.2289 174.6213 57 V 2.8220 7.4593 106.7681 63.7015 31.7069 176.6233 58 L 4.4783 8.0022 119.8783 54.7309 46.0602 174.1213 59 E 4.7073 8.4760 118.1913 55.2849 32.2808 175.3057 60 V 3.9646 8.3116 120.4160 63.0832 31.8149 175.0196 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 2 A 8.26 4.38 1.30 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 0.00 0.00 3 K 7.76 4.18 0.00 1.73 1.64 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.54 7.81 4 H 9.85 3.48 0.00 3.18 3.04 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.49 0.00 2.04 1.97 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 6 V 7.81 4.51 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 0.80 0.00 0.00 1.00 0.00 0.00 7 P 0.00 4.48 0.00 2.22 2.03 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 K 8.53 4.25 0.00 1.74 1.86 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.45 7.81 9 K 7.59 4.56 0.00 1.73 1.64 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.37 7.81 10 K 8.74 3.82 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.46 7.81 11 T 8.26 4.43 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 12 S 8.58 4.24 0.00 4.06 4.06 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 0.00 0.00 0.00 0.00 13 K 9.14 3.75 0.00 1.81 1.88 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.53 7.81 14 A 7.36 3.82 1.30 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 0.00 0.00 15 R 8.22 3.96 0.00 1.76 1.96 0.00 3.28 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 R 8.43 3.94 0.00 1.88 2.19 0.00 3.17 0.00 0.00 3.17 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 17 D 8.85 4.31 0.00 2.65 2.70 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 0.00 0.00 0.00 18 A 8.36 3.88 1.38 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 0.00 0.00 0.00 0.00 0.00 19 R 7.68 3.89 0.00 1.84 2.22 0.00 3.29 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 20 R 8.43 3.85 0.00 1.89 1.83 0.00 3.19 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.75 0.00 21 S 7.60 4.15 0.00 3.93 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.71 4.85 0.00 3.21 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.33 4.26 0.00 3.12 3.34 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.12 4.12 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 25 L 8.18 4.51 0.00 1.65 1.61 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.11 4.52 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 27 P 0.00 4.46 0.00 2.18 2.05 0.00 3.78 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 1.99 1.95 0.00 28 P 0.00 4.31 0.00 2.20 2.11 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 29 T 8.31 4.45 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 30 L 8.31 5.07 0.00 1.51 1.49 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.83 4.10 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 0.63 0.00 0.00 1.02 0.00 0.00 32 P 0.00 3.71 0.00 1.99 2.00 0.00 3.69 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 33 C 8.03 3.50 0.00 3.10 3.05 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 0.00 0.00 0.00 0.00 34 P 0.00 4.27 0.00 2.11 2.08 0.00 3.69 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 1.84 1.82 0.00 35 E 8.20 4.07 0.00 2.00 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 0.00 2.33 2.33 0.00 36 C 7.19 4.70 0.00 2.97 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.45 4.18 0.00 1.86 1.89 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 38 A 7.60 4.51 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.41 5.16 0.00 1.85 1.94 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 40 K 9.11 4.86 0.00 1.78 1.85 0.00 1.32 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.38 7.81 41 P 0.00 4.97 0.00 2.13 2.13 0.00 3.42 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 42 P 0.00 4.27 0.00 2.31 2.07 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 43 H 8.66 4.27 0.00 3.31 3.42 0.00 5.64 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 44 T 7.38 4.79 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 1.26 0.00 0.00 45 V 8.39 4.20 2.14 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 0.91 0.00 0.00 0.89 0.00 0.00 46 C 8.68 4.72 0.00 2.97 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 47 P 0.00 4.33 0.00 2.15 2.11 0.00 4.06 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 2.03 2.05 0.00 48 E 8.93 4.58 0.00 2.09 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 2.18 2.26 0.00 49 C 9.77 3.77 0.00 3.04 3.28 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 50 G 9.49 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 51 Y 8.66 5.02 0.00 2.57 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 0.00 0.00 0.00 52 Y 9.53 4.14 0.00 3.19 3.06 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 0.00 0.00 0.00 0.00 53 A 8.55 3.71 1.24 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 0.00 0.00 0.00 54 G 7.66 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 55 R 7.93 4.45 0.00 1.66 1.73 0.00 3.37 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 56 K 8.39 4.18 0.00 1.92 1.83 0.00 1.55 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.29 7.81 57 V 7.46 2.82 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 0.72 0.00 0.00 0.99 0.00 0.00 58 L 8.00 4.48 0.00 1.55 1.51 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.48 4.71 0.00 2.04 1.88 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 2.19 2.30 0.00 60 V 8.31 3.96 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 0.82 0.00 0.00 0.93 0.00 0.00