NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4149 0.0000 0.0000 62.8772 31.7461 177.2138 4 G 3.6285 7.8866 114.4589 43.2967 0.0000 169.8084 5 G 4.2607 7.9147 108.7120 44.3663 0.0000 170.5824 6 C 4.7942 7.6129 114.3697 57.5291 42.9427 175.5882 7 H 4.6408 7.5632 113.9420 54.5714 32.7900 171.3754 8 T 3.9215 8.6558 115.3218 63.3556 66.3759 172.0704 9 D 4.4490 8.9419 125.6255 53.9472 38.5523 173.5626 10 E 4.4570 8.2246 118.5104 56.9996 30.4711 175.7586 11 F 5.1600 9.2412 123.5306 56.6301 42.1316 173.8558 12 Q 4.8466 7.8327 125.6800 54.3873 31.4833 174.9357 13 C 4.5236 8.3756 123.9215 55.5626 41.4871 174.8264 14 R 3.8983 8.6153 122.5512 57.0982 30.1688 177.5068 15 L 4.1258 7.7693 120.1308 57.8375 42.4875 176.2092 16 D 4.6329 8.1657 113.7252 55.9976 46.9022 175.5128 17 G 4.0157 8.2842 104.3959 44.7703 0.0000 173.5762 18 L 4.3053 8.8180 121.4044 55.8245 42.1850 175.1803 19 C 5.6575 8.6078 116.7492 55.1239 42.4859 173.6949 20 I 4.8668 8.8681 117.2685 58.0925 41.1354 173.4288 21 P 4.8994 0.0000 0.0000 62.5386 30.8201 176.7697 22 L 4.0944 9.1294 126.8996 56.7214 42.2269 178.6013 23 R 3.8785 8.2119 117.7236 58.9438 29.9094 176.4854 24 W 4.8939 8.3444 116.4145 56.9175 29.2428 175.8876 25 R 4.3967 7.8400 115.6486 55.6450 30.0227 176.5621 26 C 5.0138 7.8126 111.4919 56.2324 45.5632 173.3205 27 D 4.3555 9.7923 118.7165 52.5914 41.3905 177.3468 28 G 4.0453 9.6241 106.0152 44.9794 0.0000 172.1593 29 D 4.7931 7.4528 117.1936 52.4433 44.4852 174.9844 30 T 4.9219 8.4993 112.8640 58.7848 69.5932 173.6062 31 D 4.3833 9.7241 128.6553 57.0939 41.4561 177.1865 32 C 4.4883 8.8452 118.7066 56.4010 44.0924 173.8050 33 M 4.0341 8.6505 122.9159 57.1898 31.3655 175.8318 34 D 4.7066 8.1875 115.4566 52.7293 42.4253 177.0180 35 S 6.0184 7.5515 127.6607 58.8665 62.0779 178.7052 36 S 4.4658 8.4227 116.7308 59.8864 62.5762 174.8495 37 D 4.2056 8.3328 121.7744 56.9056 40.2587 178.6245 38 E 4.6190 8.6460 111.6766 56.1187 32.4620 176.4318 39 K 4.0514 8.0873 118.2769 58.0654 31.9275 177.0906 40 S 4.5522 7.6551 108.4383 59.1718 63.8320 174.8924 41 C 4.9571 8.1195 116.8447 54.3880 42.8787 172.5782 42 E 4.2782 7.8929 120.1813 56.2854 30.6916 176.9074 43 G 3.9037 8.5033 104.9966 45.6022 0.0000 173.7807 44 V 3.6000 8.5467 119.9075 63.1554 32.5427 173.1846 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 P 0.00 4.41 0.00 2.18 2.16 0.00 3.72 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 1.86 1.96 0.00 4 G 7.89 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 5 G 7.91 4.26 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 0.00 6 C 7.61 4.79 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.56 4.64 0.00 3.18 3.20 0.00 5.85 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.66 3.92 4.26 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 1.29 0.00 0.00 9 D 8.94 4.45 0.00 3.00 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 10 E 8.22 4.46 0.00 2.13 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 2.40 2.44 0.00 11 F 9.24 5.16 0.00 3.01 2.94 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 12 Q 7.83 4.85 0.00 1.94 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.53 0.00 0.00 0.00 0.00 0.00 2.06 2.52 0.00 13 C 8.38 4.52 0.00 2.90 2.96 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 0.00 0.00 0.00 14 R 8.62 3.90 0.00 1.74 1.94 0.00 3.14 0.00 0.00 3.12 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 15 L 7.77 4.13 0.00 1.60 1.69 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.17 4.63 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.28 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.82 4.31 0.00 1.67 1.95 0.91 0.82 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 19 C 8.61 5.66 0.00 2.80 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.87 4.87 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.30 1.00 0.00 0.00 21 P 0.00 4.90 0.00 2.43 2.33 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.84 0.00 22 L 9.13 4.09 0.00 1.82 1.83 1.07 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.21 3.88 0.00 1.86 2.08 0.00 3.27 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.58 0.00 24 W 8.34 4.89 0.00 3.34 3.36 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 25 R 7.84 4.40 0.00 1.78 1.80 0.00 2.21 0.00 0.00 2.50 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.47 0.00 26 C 7.81 5.01 0.00 2.78 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 27 D 9.79 4.36 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.62 4.05 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 0.00 0.00 0.00 29 D 7.45 4.79 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 30 T 8.50 4.92 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 1.24 0.00 0.00 31 D 9.72 4.38 0.00 2.79 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.85 4.49 0.00 3.17 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.65 4.03 0.00 2.02 2.08 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 2.58 2.49 0.00 34 D 8.19 4.71 0.00 2.79 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 35 S 7.55 6.02 0.00 4.14 4.22 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 36 S 8.42 4.47 0.00 4.22 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 0.00 37 D 8.33 4.21 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 38 E 8.65 4.62 0.00 2.02 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 2.19 2.25 0.00 39 K 8.09 4.05 0.00 1.96 1.89 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.41 7.81 40 S 7.66 4.55 0.00 3.83 3.74 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 41 C 8.12 4.96 0.00 2.85 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 42 E 7.89 4.28 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 43 G 8.50 3.90 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 0.00 0.00 0.00 44 V 8.55 3.60 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 0.70 0.00 0.00 0.92 0.00 0.00