NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4265 8.1585 120.3271 55.5133 34.9963 177.2277 2 A 3.8410 7.8774 120.5855 55.2399 19.0337 178.2491 3 Q 4.0859 8.8277 117.3997 59.1403 29.2325 176.9530 4 D 4.4598 8.0304 119.6003 57.2135 40.9385 178.7476 5 I 3.7208 8.3135 120.7700 64.3604 37.1752 178.3969 6 I 3.6718 8.1914 120.9876 64.5121 36.9720 178.5496 7 S 4.0862 8.4791 116.1302 61.9893 62.6497 176.8964 8 T 3.8871 8.2926 118.5668 66.8851 68.2512 176.8392 9 I 3.8537 8.3629 122.1352 64.2356 37.1577 178.6680 10 G 3.6626 8.5676 107.0275 47.8239 0.0000 175.4507 11 D 4.0620 8.5740 121.4200 57.1585 40.8165 178.8714 12 L 4.0928 8.2833 119.8663 57.6200 41.5034 179.4648 13 V 3.5070 8.2140 118.5062 66.0877 31.1857 178.0450 14 K 3.7925 7.7269 118.0477 58.8509 32.1088 179.0361 15 W 4.7088 7.9513 119.3234 59.6320 29.2349 178.9785 16 I 3.7921 7.6148 118.7475 64.6895 36.8495 178.6630 17 I 3.7362 8.0767 120.8695 64.4438 36.6040 178.2579 18 D 4.2841 8.3227 120.1061 57.7073 40.7274 179.0331 19 T 3.6260 7.9777 116.1332 66.5119 68.4380 176.6582 20 V 3.6372 8.2047 120.4124 66.2978 31.2338 177.7725 21 N 4.7646 8.0567 116.5958 55.0282 38.4842 177.0391 22 K 3.9352 8.0844 119.8947 59.5906 32.1194 178.9636 23 F 4.5943 7.0311 116.6352 60.4903 40.4198 176.9020 24 T 4.3693 8.3520 116.3772 62.7996 66.8875 175.6677 25 K 4.0481 7.4719 123.6583 56.9025 33.4759 178.1287 26 K 4.1822 7.9153 122.5871 57.0976 32.1654 175.3770 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 M 8.16 4.43 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 2 A 7.88 3.84 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.83 4.09 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.86 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 4 D 8.03 4.46 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.31 3.72 1.87 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 1.53 0.63 0.91 0.00 0.00 6 I 8.19 3.67 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.61 0.89 0.00 0.00 7 S 8.48 4.09 0.00 3.95 3.93 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 8 T 8.29 3.89 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 1.24 0.00 0.00 9 I 8.36 3.85 1.86 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 1.45 0.70 0.89 0.00 0.00 10 G 8.57 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.57 4.06 0.00 2.89 2.99 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 12 L 8.28 4.09 0.00 1.66 1.74 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.21 3.51 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 0.97 0.00 0.00 0.92 0.00 0.00 14 K 7.73 3.79 0.00 0.79 0.74 0.00 1.26 0.00 0.00 1.01 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.07 1.11 7.81 15 W 7.95 4.71 0.00 3.29 3.08 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 0.00 0.00 0.00 0.00 16 I 7.61 3.79 2.03 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.67 0.96 0.00 0.00 17 I 8.08 3.74 1.96 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 1.52 0.70 0.92 0.00 0.00 18 D 8.32 4.28 0.00 2.72 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 3.63 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 0.92 0.00 0.00 20 V 8.20 3.64 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 0.87 0.00 0.00 1.05 0.00 0.00 21 N 8.06 4.76 0.00 2.73 2.82 0.00 0.00 7.24 8.10 0.00 0.00 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 K 8.08 3.94 0.00 1.32 1.74 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.54 7.81 23 F 7.03 4.59 0.00 3.21 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 24 T 8.35 4.37 4.29 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 1.24 0.00 0.00 25 K 7.47 4.05 0.00 1.76 1.80 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.72 7.81 26 K 7.92 4.18 0.00 1.89 1.78 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.44 7.81