NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2683 8.3044 120.3518 56.0975 33.4838 175.6217 2 K 3.5644 8.2122 117.1819 56.0636 29.6157 170.7275 3 N 5.0681 8.1140 120.2748 53.3833 45.7800 174.5837 4 R 4.4060 7.7517 118.0137 57.0546 31.6357 176.3784 5 L 4.3256 7.8379 118.0549 54.4492 42.1433 173.0690 6 G 3.9412 8.4092 109.0073 44.6482 0.0000 174.7431 7 T 3.8906 8.1061 119.2802 63.0123 70.2859 176.1116 8 W 4.3319 8.2715 120.5560 59.6798 29.2887 177.7349 9 W 4.5743 8.1345 115.7628 59.5054 27.8201 178.3987 10 V 2.0109 6.2398 118.3750 65.1301 30.4120 177.6723 11 A 3.9337 8.4142 120.6953 54.6956 17.9401 179.6685 12 I 3.7228 8.3162 118.8810 64.6518 37.0406 178.4647 13 L 3.7724 8.2578 120.1889 57.4541 42.1924 177.3085 14 C 4.3158 7.7590 116.9466 60.2610 31.5934 174.5153 15 M 4.3270 7.8052 118.9026 57.8379 32.6250 177.9278 16 L 4.1824 8.9665 118.9142 57.0421 41.9760 178.6640 17 L 4.3492 7.5574 118.5758 56.8298 41.8629 177.4769 18 A 3.7093 7.5801 115.5599 55.6496 18.3980 179.0115 19 S 4.2223 8.2101 109.9575 61.5344 63.1219 176.4248 20 H 4.1743 8.3589 120.3910 57.5675 29.6420 175.2912 21 L 4.8286 8.6139 121.0692 54.9118 41.3215 177.2944 22 S 4.6186 8.5002 113.6485 61.1733 66.9816 176.2769 23 T 4.0031 8.5403 125.7787 66.5307 69.3935 176.4232 24 V 3.7270 7.6760 119.7447 64.6993 31.8478 176.3387 25 K 4.0624 7.4639 119.3910 56.8949 32.4072 177.1050 26 A 4.5706 7.7238 119.7882 52.1251 20.2250 176.2002 27 R 4.0938 8.3235 117.4432 57.3102 30.6333 178.9845 28 G 3.7075 7.7746 109.2099 44.8502 0.0000 172.8608 29 I 2.9566 7.9010 126.6789 60.4604 38.7385 173.6132 30 K 4.2069 8.5328 119.5569 57.3161 33.9714 174.4243 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 8.30 4.27 0.00 2.00 2.12 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 2.49 2.55 0.00 2 K 8.21 3.56 0.00 1.98 1.79 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.53 7.81 3 N 8.11 5.07 0.00 2.68 2.71 0.00 0.00 7.15 7.67 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 4 R 7.75 4.41 0.00 1.85 1.94 0.00 3.20 0.00 0.00 2.75 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.86 0.00 5 L 7.84 4.33 0.00 1.75 1.78 1.27 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.41 3.94 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 0.00 0.00 0.00 7 T 8.11 3.89 4.02 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 0.91 0.00 0.00 8 W 8.27 4.33 0.00 3.28 3.24 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 0.00 9 W 8.13 4.57 0.00 3.57 3.41 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 V 6.24 2.01 1.44 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 0.68 0.00 0.00 -0.62 0.00 0.00 11 A 8.41 3.93 1.30 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 12 I 8.32 3.72 2.31 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.81 1.06 0.00 0.00 13 L 8.26 3.77 0.00 2.23 1.89 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 C 7.76 4.32 0.00 3.12 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 M 7.81 4.33 0.00 2.06 2.38 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 16 L 8.97 4.18 0.00 1.72 1.76 0.95 1.01 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 17 L 7.56 4.35 0.00 2.03 1.72 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.58 3.71 1.39 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 19 S 8.21 4.22 0.00 4.07 4.20 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 H 8.36 4.17 0.00 3.19 3.46 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.61 4.83 0.00 1.69 1.80 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.50 4.62 0.00 4.05 3.62 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 23 T 8.54 4.00 4.25 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 24 V 7.68 3.73 2.20 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 0.80 0.00 0.00 0.94 0.00 0.00 25 K 7.46 4.06 0.00 1.81 1.72 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.52 7.81 26 A 7.72 4.57 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.32 4.09 0.00 1.91 2.07 0.00 3.07 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 28 G 7.77 3.71 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 29 I 7.90 2.96 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 1.47 0.62 0.91 0.00 0.00 30 K 8.53 4.21 0.00 1.97 1.80 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.41 7.81