NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9214 8.3544 109.7446 45.0278 0.0000 177.9721 2 C 4.6198 9.1807 119.5231 55.8895 42.8897 169.6231 3 K 4.0351 8.9688 123.7928 54.0292 37.0306 175.0981 4 L 4.0810 5.8374 124.0248 55.7869 42.4041 178.0571 5 T 4.2709 8.8460 121.2737 66.8507 69.1911 175.7625 6 F 4.5732 8.3320 126.8982 58.3467 39.4733 175.7393 7 W 4.4261 8.6612 120.6703 54.2791 30.0895 175.1499 8 K 3.9750 8.4649 126.3437 56.5925 31.0349 174.0382 9 C 5.3745 7.8779 120.2619 52.8998 44.2151 174.3407 10 K 4.1884 9.3196 120.7360 58.1203 32.2811 176.7037 11 N 5.1050 7.7276 112.5760 50.4126 39.9842 174.0910 12 K 4.2079 8.4919 115.9636 58.4823 33.1078 177.6082 13 K 4.5790 8.0434 118.0902 56.5699 31.9874 176.6157 14 E 4.4102 7.9246 118.2616 57.5679 31.2990 176.8185 15 C 4.5378 8.1177 117.9421 56.9001 40.6805 174.3268 16 C 4.0466 9.3342 122.7231 60.0507 34.8423 175.1784 17 G 3.6032 8.0518 112.7401 44.6538 0.0000 170.9749 18 W 4.7676 8.0126 128.4575 56.0497 28.3929 174.8049 19 N 5.2155 8.5792 122.7152 51.3573 41.4812 172.4505 20 A 4.7099 8.3475 119.3067 50.7008 21.0776 176.7558 21 C 5.1282 9.0028 123.4455 55.3648 41.4890 171.9454 22 A 4.3809 7.4512 124.3946 53.3360 20.6546 178.4556 23 L 4.2205 7.4660 114.5072 54.1835 40.7370 179.0695 24 G 3.9347 8.7312 105.5227 45.9953 0.0000 172.3810 25 I 4.5500 6.9705 118.4212 60.3625 41.4385 172.5271 26 C 4.9706 8.6103 119.0117 57.0323 39.8445 172.3939 27 M 4.8974 8.3681 126.1715 56.0865 38.8916 174.4540 28 P 4.6291 0.0000 0.0000 61.5019 30.2696 176.8367 29 R 4.2093 8.1074 122.2269 57.3954 29.1399 177.4811 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 G 8.35 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.18 4.62 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 K 8.97 4.04 0.00 1.74 1.96 0.00 2.01 0.00 0.00 2.25 0.00 0.00 2.94 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.62 1.72 7.81 4 L 5.84 4.08 0.00 0.32 1.01 0.61 -0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.85 4.27 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 6 F 8.33 4.57 0.00 3.04 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.43 0.00 3.21 3.26 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 8 K 8.46 3.98 0.00 1.64 1.81 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.13 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.53 7.81 9 C 7.88 5.37 0.00 3.42 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 10 K 9.32 4.19 0.00 1.74 1.90 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.38 7.81 11 N 7.73 5.10 0.00 2.81 2.82 0.00 0.00 6.08 7.17 0.00 0.00 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 K 8.49 4.21 0.00 2.14 2.01 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.53 7.81 13 K 8.04 4.58 0.00 1.84 1.99 0.00 1.85 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.49 7.81 14 E 7.92 4.41 0.00 2.05 2.44 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 0.00 2.61 2.35 0.00 15 C 8.12 4.54 0.00 2.89 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.33 4.05 0.00 2.59 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 W 8.01 4.77 0.00 3.51 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.58 5.22 0.00 2.86 2.76 0.00 0.00 7.00 9.28 0.00 0.00 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 A 8.35 4.71 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.00 5.13 0.00 3.08 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.38 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 4.22 0.00 1.76 1.64 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.73 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 6.97 4.55 1.52 0.00 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.20 0.89 0.00 0.00 26 C 8.61 4.97 0.00 3.25 3.10 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 27 M 8.37 4.90 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.99 0.00 28 P 0.00 4.63 0.00 2.20 2.12 0.00 3.99 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 29 R 8.11 4.21 0.00 1.97 2.28 0.00 3.13 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00