NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.2603 8.5298 119.7230 55.6292 33.0051 175.7490 2 T 4.1886 8.1681 115.9408 58.8353 72.0743 173.4364 3 I 3.7259 8.9517 114.9849 64.4737 37.9042 178.9556 4 D 4.3549 8.0224 120.2391 57.0822 40.7571 178.3870 5 E 4.1046 7.9101 118.8599 59.5100 29.5243 179.4125 6 I 3.7288 7.7675 119.7975 64.5151 37.0759 178.5560 7 I 3.7431 7.7970 120.5188 64.3963 36.7041 178.3214 8 E 4.2056 8.6951 120.6783 58.9305 29.0800 179.3572 9 A 4.0166 7.8883 119.6762 55.0560 18.6929 179.4645 10 I 3.8907 7.5960 118.0914 64.4632 36.7502 178.3992 11 E 4.0547 8.5611 119.5584 58.7833 29.0356 178.6674 12 K 4.2908 7.5136 116.2476 56.1007 32.8863 177.2056 13 L 4.4139 7.2020 120.2266 54.6542 42.4078 177.5224 14 T 4.3588 9.5266 114.2524 60.4655 71.6159 176.1215 15 V 3.5603 8.3297 120.7085 66.5059 31.3268 178.1988 16 S 4.1390 7.9901 113.0852 61.5105 62.9372 175.9330 17 E 3.9697 7.9719 122.3272 59.1753 29.1080 179.4053 18 L 3.9656 8.5287 119.1136 57.6600 41.5934 179.3717 19 A 3.9597 7.8251 120.4470 55.0731 18.2791 179.3658 20 E 3.8333 8.2167 117.8922 59.1030 29.6698 178.6768 21 L 3.8783 8.0673 120.5646 58.2361 42.1436 179.1632 22 V 3.5206 7.9852 118.3224 65.7359 31.4233 177.7036 23 K 3.8263 8.1549 119.4465 59.7225 32.0249 178.9692 24 K 3.9771 8.4653 118.9264 59.1491 31.9178 179.5197 25 L 3.5149 8.0016 119.6135 57.5611 41.3015 179.1472 26 E 3.8502 7.8878 117.4390 59.4850 29.4556 179.0973 27 D 4.3644 7.4962 117.1202 57.3676 41.0813 178.1008 28 K 3.8738 7.5447 119.2749 59.5795 32.0075 176.1369 29 F 4.4610 7.2139 117.4481 57.3885 37.9022 173.4750 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 8.53 5.26 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 T 8.17 4.19 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 3 I 8.95 3.73 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 1.64 0.64 0.91 0.00 0.00 4 D 8.02 4.35 0.00 2.74 2.76 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 E 7.91 4.10 0.00 2.21 2.00 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 2.33 2.36 0.00 6 I 7.77 3.73 2.06 0.00 0.00 0.87 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 1.12 0.93 0.00 0.00 7 I 7.80 3.74 2.05 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 0.96 0.91 0.00 0.00 8 E 8.70 4.21 0.00 2.19 2.00 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 2.33 2.34 0.00 9 A 7.89 4.02 1.35 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 0.00 0.00 10 I 7.60 3.89 2.02 0.00 0.00 0.87 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 1.08 0.92 0.00 0.00 11 E 8.56 4.05 0.00 2.16 2.00 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 2.33 2.47 0.00 12 K 7.51 4.29 0.00 1.92 1.85 0.00 1.59 0.00 0.00 1.88 0.00 0.00 3.11 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.51 7.81 13 L 7.20 4.41 0.00 1.75 1.59 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 14 T 9.53 4.36 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 15 V 8.33 3.56 2.08 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 1.07 0.00 0.00 0.93 0.00 0.00 16 S 7.99 4.14 0.00 4.08 4.10 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 0.00 0.00 0.00 0.00 17 E 7.97 3.97 0.00 2.26 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 2.33 2.35 0.00 18 L 8.53 3.97 0.00 1.82 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.83 3.96 1.37 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 20 E 8.22 3.83 0.00 2.05 2.14 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 2.29 2.29 0.00 21 L 8.07 3.88 0.00 1.91 1.78 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.99 3.52 2.19 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 1.03 0.00 0.00 0.98 0.00 0.00 23 K 8.15 3.83 0.00 2.06 1.89 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.61 7.81 24 K 8.47 3.98 0.00 1.85 1.77 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.60 7.81 25 L 8.00 3.51 0.00 1.73 1.51 0.94 0.86 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 26 E 7.89 3.85 0.00 2.04 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 2.32 2.47 0.00 27 D 7.50 4.36 0.00 2.67 2.66 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 28 K 7.54 3.87 0.00 1.54 0.98 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.86 7.81 29 F 7.21 4.46 0.00 3.16 2.94 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