NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1261 8.0393 120.3113 61.2758 32.3116 175.4850 4 P 4.0783 0.0000 0.0000 63.4268 32.1928 175.5013 5 T 4.3656 8.3709 110.1873 59.0777 69.6103 172.3518 6 P 4.3531 0.0000 0.0000 62.7534 30.1774 174.3771 7 K 4.2403 7.9865 118.6428 55.3241 32.3812 177.1476 8 R 4.3488 8.3009 123.7724 54.4222 31.1689 174.9604 9 P 4.4401 0.0000 0.0000 62.1332 32.1825 176.4919 10 R 3.8816 8.6916 120.2868 56.3356 30.3050 176.4541 11 G 3.8540 7.8632 110.9412 45.7530 0.0000 171.6072 12 R 4.4031 8.3184 119.5962 53.6405 31.1388 173.8946 13 P 4.3175 0.0000 0.0000 62.4856 32.1880 175.7317 14 K 4.1689 8.3454 119.9453 57.6433 32.5968 177.7852 15 G 3.7786 8.8575 110.2639 45.6353 0.0000 173.3022 16 S 4.2815 7.4498 113.4640 57.1906 61.7129 174.0571 17 K 4.4224 8.1938 127.6918 54.7680 33.6081 176.1574 18 N 4.5538 8.3416 117.5490 53.4427 38.7932 175.9427 19 K 4.2698 8.6951 121.1747 56.5131 33.0619 177.6777 20 G 3.7756 7.0680 104.5821 46.1109 0.0000 172.6510 21 A 4.0373 8.5124 125.8111 51.1614 17.6248 177.7875 22 A 4.1943 8.3157 125.7279 52.4868 17.9135 177.5964 23 K 4.1749 8.4469 120.2221 57.5150 32.2882 177.4398 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 3 V 8.04 4.13 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 0.93 0.00 0.00 0.93 0.00 0.00 4 P 0.00 4.08 0.00 2.28 2.22 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 5 T 8.37 4.37 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 6 P 0.00 4.35 0.00 2.06 2.09 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 7 K 7.99 4.24 0.00 1.74 1.77 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.48 7.81 8 R 8.30 4.35 0.00 1.80 1.85 0.00 3.21 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 9 P 0.00 4.44 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 10 R 8.69 3.88 0.00 1.82 1.93 0.00 3.30 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 11 G 7.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 R 8.32 4.40 0.00 1.77 1.84 0.00 3.28 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 13 P 0.00 4.32 0.00 2.21 1.99 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 14 K 8.35 4.17 0.00 1.74 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.43 7.81 15 G 8.86 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.45 4.28 0.00 4.07 3.81 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 0.00 0.00 0.00 17 K 8.19 4.42 0.00 1.78 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.39 7.81 18 N 8.34 4.55 0.00 2.71 2.75 0.00 0.00 6.89 7.61 0.00 0.00 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 K 8.70 4.27 0.00 1.74 1.85 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.43 7.81 20 G 7.07 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.51 4.04 1.26 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 0.00 0.00 0.00 22 A 8.32 4.19 1.26 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 0.00 0.00 0.00 23 K 8.45 4.17 0.00 1.76 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.63 7.81