NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9463 8.0544 114.0570 61.4544 32.9142 174.4035 2 V 3.8674 8.0850 120.9519 61.3709 30.3863 173.1937 3 K 4.3147 8.4228 126.6019 55.0942 34.0247 176.9079 4 S 4.5771 8.3879 118.2517 57.6415 63.9674 172.5900 5 N 4.7448 8.4727 117.0337 54.7110 39.4349 175.9111 6 L 3.9810 7.1887 118.9379 56.3301 42.6073 175.3864 7 N 4.6806 7.7472 114.9587 52.2461 40.2605 174.3299 8 P 4.4083 0.0000 0.0000 63.6541 32.2381 175.8768 9 N 4.9534 7.2657 115.0710 52.0970 38.8422 176.3315 10 A 4.1813 7.9391 120.8698 52.6082 17.4698 177.2375 11 K 4.7195 8.0657 119.1281 54.4890 35.8222 176.1685 12 E 3.9720 8.6466 121.8839 56.3763 29.9623 176.4154 13 F 4.5755 8.5495 123.9706 57.4534 38.8236 175.7064 14 V 4.1039 7.8245 123.2745 58.2295 31.2132 174.7476 15 P 4.4331 0.0000 0.0000 62.9095 31.4298 175.1715 16 G 4.3592 9.1501 108.8153 45.7913 0.0000 174.1181 17 V 4.5105 7.1960 111.1678 58.4409 34.3115 176.7193 18 K 4.2920 8.3356 121.9744 56.6059 30.7161 174.3261 19 Y 4.2094 8.2995 127.4679 59.5640 39.2381 175.8917 20 G 3.7047 8.7335 115.0731 45.4242 0.0000 172.1620 21 N 4.7908 7.3314 117.2891 51.8882 40.7745 175.0574 22 I 4.0710 8.0265 120.4512 61.3787 37.6449 175.8672 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 V 8.05 3.95 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 0.86 0.00 0.00 0.94 0.00 0.00 2 V 8.09 3.87 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 0.69 0.00 0.00 0.94 0.00 0.00 3 K 8.42 4.31 0.00 1.78 1.72 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 S 8.39 4.58 0.00 3.83 4.01 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 5 N 8.47 4.74 0.00 2.71 2.80 0.00 0.00 6.81 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 6 L 7.19 3.98 0.00 1.58 1.54 0.91 0.91 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 7 N 7.75 4.68 0.00 2.82 2.64 0.00 0.00 6.98 7.66 0.00 0.00 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 P 0.00 4.41 0.00 2.07 2.06 0.00 3.64 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 2.00 2.08 0.00 9 N 7.27 4.95 0.00 2.43 2.71 0.00 0.00 6.81 7.17 0.00 0.00 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 A 7.94 4.18 1.27 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 11 K 8.07 4.72 0.00 2.02 1.82 0.00 1.93 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.58 7.81 12 E 8.65 3.97 0.00 1.93 1.87 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 2.32 2.34 0.00 13 F 8.55 4.58 0.00 2.93 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 14 V 7.82 4.10 1.94 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 0.70 0.00 0.00 0.28 0.00 0.00 15 P 0.00 4.43 0.00 2.03 1.77 0.00 3.61 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 16 G 9.15 4.36 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 0.00 0.00 0.00 17 V 7.20 4.51 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.09 0.00 0.00 18 K 8.34 4.29 0.00 1.94 2.04 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.40 7.81 19 Y 8.30 4.21 0.00 2.92 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 20 G 8.73 3.70 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 0.00 0.00 0.00 21 N 7.33 4.79 0.00 2.75 2.76 0.00 0.00 6.91 7.67 0.00 0.00 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 I 8.03 4.07 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.75 0.89 0.00 0.00