NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9220 8.3393 109.7366 45.8289 0.0000 171.5083 2 S 4.3754 8.0369 110.4541 57.0267 65.5350 171.8439 3 K 4.5062 7.8427 124.1273 53.1668 35.7097 177.0977 4 K 4.4064 8.2866 124.8115 53.6083 33.3108 173.8432 5 P 4.3038 0.0000 0.0000 63.0505 31.8112 176.3796 6 V 4.4966 7.9775 120.6225 58.9012 34.1764 174.5036 7 P 4.5574 0.0000 0.0000 62.5270 32.9738 175.3760 8 I 4.3198 8.2376 118.3794 61.2248 38.7107 175.3059 9 I 4.8128 8.2555 124.8767 60.0261 39.5918 174.9834 10 Y 4.5304 9.3616 126.4770 56.2269 41.2507 173.0591 11 C 5.2371 8.4829 123.7159 54.7272 42.7232 174.7296 12 N 4.5670 8.6829 123.9855 52.5364 36.7139 175.5453 13 R 3.7765 7.6661 122.5668 59.2973 31.1788 178.9019 14 R 3.9247 8.1056 115.8048 59.3326 30.0187 179.0811 15 T 4.3073 7.7830 106.5580 65.3976 69.7802 176.2814 16 G 3.6966 7.7167 107.4467 46.5093 0.0000 175.8919 17 K 4.5959 7.2956 122.8509 54.9445 36.0838 176.2720 18 C 5.6134 8.7900 126.4692 55.4640 43.9254 172.6061 19 Q 4.5090 8.9534 118.8540 55.9127 31.4039 172.8635 20 R 5.1812 8.6275 116.8006 55.3314 33.2656 176.3177 21 M 4.3616 9.1379 120.6181 55.7074 33.3590 175.0796 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 G 8.34 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.38 0.00 4.04 3.86 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.51 0.00 1.70 1.69 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.38 7.81 4 K 8.29 4.41 0.00 1.68 1.68 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.47 7.81 5 P 0.00 4.30 0.00 2.08 2.00 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 6 V 7.98 4.50 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 0.88 0.00 0.00 0.94 0.00 0.00 7 P 0.00 4.56 0.00 2.37 2.15 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 8 I 8.24 4.32 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 1.01 0.00 0.00 9 I 8.26 4.81 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.92 0.00 0.00 10 Y 9.36 4.53 0.00 2.96 2.88 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 0.00 0.00 0.00 11 C 8.48 5.24 0.00 2.76 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 12 N 8.68 4.57 0.00 2.74 2.66 0.00 0.00 6.85 7.49 0.00 0.00 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 R 7.67 3.78 0.00 1.84 1.93 0.00 3.33 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 14 R 8.11 3.92 0.00 1.95 2.00 0.00 3.16 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 15 T 7.78 4.31 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 16 G 7.72 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 17 K 7.30 4.60 0.00 1.93 1.61 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 18 C 8.79 5.61 0.00 2.97 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.95 4.51 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.60 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 20 R 8.63 5.18 0.00 1.70 1.87 0.00 3.45 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 21 M 9.14 4.36 0.00 1.64 1.86 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 2.45 0.00