NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 3.8937 8.0249 114.2557 60.8383 39.0243 174.9584 2 L 2.9765 7.8934 117.4221 53.5375 38.0448 173.1267 3 P 4.3595 0.0000 0.0000 63.0261 32.9364 177.3196 4 W 4.9199 5.9395 115.5066 56.4162 28.8531 177.4884 5 K 4.4696 8.0145 117.6920 56.2271 30.1966 176.1402 6 W 4.4745 7.8513 128.9512 54.2898 33.5233 173.1140 7 P 4.3912 0.0000 0.0000 61.9533 31.4765 175.6916 8 W 4.6968 8.0366 129.8795 57.3568 32.3245 173.2206 9 W 4.7803 8.3508 135.0000 54.6177 29.7956 173.2810 10 P 3.9002 0.0000 0.0000 60.8274 28.8762 177.5291 11 W 4.1877 5.9167 123.0846 59.8115 29.0491 177.3166 12 R 3.7889 8.3211 116.9006 55.9960 28.7902 176.1699 13 R 4.0524 8.4902 121.7744 56.1241 30.1270 175.4327 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 I 8.02 3.89 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.10 0.88 0.00 0.00 2 L 7.89 2.98 0.00 1.97 1.73 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 3 P 0.00 4.36 0.00 1.83 1.81 0.00 2.20 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 1.24 0.00 4 W 5.94 4.92 0.00 3.47 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 4.47 0.00 1.80 1.84 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.72 7.81 6 W 7.85 4.47 0.00 3.23 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 7 P 0.00 4.39 0.00 2.19 1.93 0.00 2.48 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 1.38 1.52 0.00 8 W 8.04 4.70 0.00 3.55 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 W 8.35 4.78 0.00 3.06 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 10 P 0.00 3.90 0.00 1.85 1.42 0.00 3.44 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 11 W 5.92 4.19 0.00 3.32 3.42 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 0.00 12 R 8.32 3.79 0.00 1.93 2.11 0.00 2.97 0.00 0.00 3.07 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 13 R 8.49 4.05 0.00 1.66 1.76 0.00 3.18 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00