NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3352 8.1749 117.3749 63.5163 70.5927 174.4017 2 R 4.0807 7.7466 118.9486 54.3284 30.7900 174.2271 3 T 4.6678 8.6962 111.5141 60.0526 72.6457 173.1672 4 K 4.3909 8.3386 122.4373 55.4167 33.2649 177.5839 5 I 3.9325 8.6231 113.4438 62.6739 37.5943 177.6805 6 D 5.7977 7.7855 133.0430 53.6263 43.8544 178.8927 7 W 3.9674 7.9842 121.5861 59.5388 28.8737 177.1258 8 N 4.4062 8.3445 117.0246 56.7397 38.1696 176.8411 9 K 3.9848 7.8361 118.8145 59.2852 32.1620 179.0767 10 I 3.6040 7.3385 118.8360 64.3117 37.0486 177.8748 11 L 4.1072 7.4728 118.4342 57.6625 41.5454 177.2531 12 S 4.0995 7.6951 116.7687 58.6891 62.6465 173.4878 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 T 8.17 4.34 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 2 R 7.75 4.08 0.00 1.88 1.85 0.00 3.19 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 3 T 8.70 4.67 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 1.28 0.00 0.00 4 K 8.34 4.39 0.00 1.85 1.90 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 5 I 8.62 3.93 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.59 0.96 0.00 0.00 6 D 7.79 5.80 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.98 3.97 0.00 3.38 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.34 4.41 0.00 2.89 2.86 0.00 0.00 7.27 6.31 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 9 K 7.84 3.98 0.00 1.89 1.81 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.48 7.81 10 I 7.34 3.60 1.23 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.27 0.07 0.00 0.00 11 L 7.47 4.11 0.00 1.68 1.77 1.22 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.70 4.10 0.00 3.75 3.65 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