NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7425 8.4544 118.1638 57.5300 41.6818 172.0051 2 S 4.4197 8.2379 112.4318 59.3885 68.6759 174.0640 3 N 4.3852 9.1911 118.0810 55.6648 39.4314 175.4778 4 L 3.6230 7.8890 114.5519 55.3816 38.8072 174.2016 5 S 4.6058 7.3286 115.9027 58.6092 70.0800 177.0974 6 T 3.9071 7.6423 116.9795 66.4291 68.2141 176.8693 7 C 4.1238 8.2522 120.2449 59.8665 43.2031 175.6447 8 V 3.5331 7.6576 118.7121 66.0159 31.2883 177.7352 9 L 4.0625 8.0610 118.6912 57.8488 41.4921 179.8865 10 G 3.5838 8.2300 105.6179 47.5351 0.0000 175.5782 11 K 3.9187 8.2075 122.4721 59.2442 32.3343 178.9683 12 L 3.9572 7.9412 120.1029 58.6350 40.3032 179.1550 13 S 3.8933 8.0193 114.0333 61.2285 62.3566 175.8109 14 Q 3.8912 8.0794 122.3101 59.0858 28.6579 177.8967 15 E 3.8540 8.2573 120.2562 59.4417 29.5098 178.8834 16 L 3.9131 7.9172 118.8626 57.9602 41.3502 179.3819 17 H 4.2883 7.8530 115.6314 58.7078 28.7381 177.4529 18 K 4.0334 7.9411 120.3290 59.7366 32.4245 178.6366 19 L 3.5780 8.1672 119.4476 56.2738 41.7887 178.9376 20 Q 3.5098 8.2397 117.6949 57.7999 27.9078 173.4111 21 T 3.4191 8.2716 106.6574 64.8126 66.3569 172.2658 22 Y 3.5421 7.0580 116.8583 58.6715 35.4685 169.5076 23 P 4.6561 0.0000 0.0000 61.6251 30.5133 177.2872 24 R 4.1222 7.9109 123.6822 59.6930 30.8847 177.4602 25 T 4.6653 7.4347 111.9079 62.3623 72.4128 173.9518 26 D 4.6246 8.3720 124.7966 53.2825 42.0343 173.5368 27 V 4.6003 7.6302 122.0353 61.5680 37.8734 175.7710 28 G 4.2684 7.7868 116.8200 46.3966 0.0000 173.9962 29 A 3.9214 8.2885 122.6761 54.6208 18.9838 177.9387 30 G 3.7282 8.0049 100.2134 46.5669 0.0000 173.9136 31 T 4.1523 7.4978 107.5174 60.3147 70.3275 173.3203 32 P 4.4028 0.0000 0.0000 63.2160 31.4119 176.1280 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 1 C 8.45 4.74 0.00 2.98 3.09 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 2 S 8.24 4.42 0.00 3.86 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.19 4.39 0.00 2.75 2.86 0.00 0.00 7.00 7.85 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 4 L 7.89 3.62 0.00 1.79 1.75 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.33 4.61 0.00 3.79 3.69 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 6 T 7.64 3.91 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 7 C 8.25 4.12 0.00 2.98 3.09 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 8 V 7.66 3.53 2.21 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 0.96 0.00 0.00 0.93 0.00 0.00 9 L 8.06 4.06 0.00 1.73 1.70 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.23 3.58 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 0.00 0.00 0.00 11 K 8.21 3.92 0.00 1.94 1.96 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.44 7.81 12 L 7.94 3.96 0.00 1.94 1.89 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.02 3.89 0.00 3.95 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.08 3.89 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 15 E 8.26 3.85 0.00 2.11 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 0.00 2.25 2.31 0.00 16 L 7.92 3.91 0.00 1.79 1.66 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 H 7.85 4.29 0.00 3.26 3.30 0.00 5.68 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 18 K 7.94 4.03 0.00 1.80 1.91 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.46 7.81 19 L 8.17 3.58 0.00 1.43 0.88 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.24 3.51 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 21 T 8.27 3.42 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 1.27 0.00 0.00 22 Y 7.06 3.54 0.00 3.13 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 23 P 0.00 4.66 0.00 2.19 2.09 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 24 R 7.91 4.12 0.00 1.86 2.21 0.00 3.20 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.92 0.00 25 T 7.43 4.67 4.42 0.00 0.00 0.00 0.00 0.00 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 26 D 8.37 4.62 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.60 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 0.81 0.00 0.00 0.93 0.00 0.00 28 G 7.79 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 3.92 1.29 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 0.00 0.00 30 G 8.00 3.73 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 0.00 0.00 0.00 31 T 7.50 4.15 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 32 P 0.00 4.40 0.00 2.19 2.06 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00