NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.2802 8.1849 122.4906 54.9750 43.1779 175.3670 3 R 4.5947 8.1844 121.3927 52.6740 34.2126 172.8964 4 R 4.7233 7.9751 115.3103 53.5279 32.9094 175.6425 5 K 3.9467 8.4714 118.4049 56.3739 32.8962 175.0270 6 P 4.2071 0.0000 0.0000 62.7154 31.6803 176.1525 7 T 3.6779 8.5021 112.4799 62.3800 68.5872 172.9137 8 R 4.4498 8.3640 126.1094 53.8421 31.1920 175.3669 9 L 4.0875 8.4963 125.5040 55.4119 42.1515 176.2891 10 E 4.7572 8.2233 119.7976 54.1608 33.5659 175.2202 11 L 4.2042 8.2848 120.3089 54.3307 41.9341 177.7859 12 K 4.3430 9.0965 123.9913 55.7654 33.1228 178.3784 13 L 4.0945 8.4173 120.6042 58.1306 41.5216 179.5124 14 D 4.3826 8.1338 118.1612 57.0989 40.3136 177.8592 15 D 4.5131 7.6455 117.4560 56.2490 40.6317 178.3009 16 I 3.9423 8.0453 121.6189 63.7902 37.0665 177.3049 17 E 3.9126 8.4856 120.7975 59.5160 28.9452 178.6608 18 E 3.9594 7.6791 116.7409 59.5536 29.8359 178.5640 19 F 4.2204 8.2743 119.8682 61.8995 39.4396 176.0027 20 E 4.0116 8.8158 117.6911 60.4286 28.9486 178.6884 21 N 4.7993 8.0932 114.0103 54.0029 37.4819 175.7622 22 I 4.0429 7.4924 126.0490 63.4672 38.6642 176.7407 23 R 3.9798 7.6814 122.7805 56.2453 29.1752 179.7128 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 2 L 8.18 4.28 0.00 1.60 1.63 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 3 R 8.18 4.59 0.00 1.86 1.77 0.00 3.21 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 4 R 7.98 4.72 0.00 1.88 1.88 0.00 3.05 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 5 K 8.47 3.95 0.00 1.88 1.87 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 6 P 0.00 4.21 0.00 2.06 2.05 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 7 T 8.50 3.68 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 8 R 8.36 4.45 0.00 1.76 1.86 0.00 3.25 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 9 L 8.50 4.09 0.00 1.67 1.61 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.22 4.76 0.00 1.89 1.81 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 2.34 2.23 0.00 11 L 8.28 4.20 0.00 1.63 1.61 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 K 9.10 4.34 0.00 2.08 1.72 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 13 L 8.42 4.09 0.00 1.68 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.13 4.38 0.00 2.69 2.73 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 15 D 7.65 4.51 0.00 3.01 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 16 I 8.05 3.94 1.95 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.99 0.00 0.00 17 E 8.49 3.91 0.00 2.03 2.32 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 2.34 2.41 0.00 18 E 7.68 3.96 0.00 2.18 2.04 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 2.37 2.45 0.00 19 F 8.27 4.22 0.00 3.18 3.16 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 E 8.82 4.01 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 21 N 8.09 4.80 0.00 2.79 2.89 0.00 0.00 7.08 8.88 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 22 I 7.49 4.04 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.55 0.70 0.00 0.00 23 R 7.68 3.98 0.00 1.82 1.69 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00