NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7686 7.8774 117.5616 55.3908 42.3709 173.4417 2 G 3.7427 8.3391 106.5531 45.1272 0.0000 169.7124 3 E 4.6533 7.7552 119.6035 54.2954 33.8251 172.0417 4 T 4.8844 8.4425 115.8062 60.4486 71.4636 173.8352 5 C 5.5396 8.4203 117.0860 53.3767 41.2998 174.8619 6 F 3.9880 8.7407 119.9217 60.9502 39.1975 177.1617 7 G 4.1071 8.4220 106.6972 44.8939 0.0000 173.2250 8 G 3.9596 9.0886 106.7872 46.0002 0.0000 174.2326 9 T 4.7401 7.6088 111.1951 60.7141 70.6444 172.7067 10 C 5.2395 8.3419 123.3292 55.4870 44.4709 173.9249 11 N 4.3489 10.2720 124.2267 56.7199 38.7744 175.8197 12 T 3.9384 8.5558 116.0693 62.7862 68.6164 172.4951 13 P 4.3244 0.0000 0.0000 63.8242 31.9843 176.1513 14 G 3.8521 8.7966 107.4457 46.6798 0.0000 173.4574 15 C 5.1078 8.0675 116.4863 54.6451 40.8151 173.6437 16 S 4.3367 9.2433 120.2232 58.0719 63.2712 172.7221 17 C 4.7212 8.9180 127.8651 56.4168 41.9706 173.3629 18 T 4.2535 8.6723 127.1339 62.6312 66.8510 173.8618 19 W 4.4656 7.2228 129.4518 54.3776 31.8247 173.3853 20 P 4.5472 0.0000 0.0000 62.6130 32.2021 174.4968 21 I 4.9867 7.9261 120.8495 60.5747 40.9454 174.2424 22 C 5.1736 9.1521 125.3433 56.9509 37.1911 173.2274 23 T 4.7790 9.2975 114.0610 60.0437 71.3962 173.5777 24 R 4.4199 9.6003 126.4288 54.9321 29.2122 175.1997 25 D 4.1801 8.9534 127.2998 54.7619 39.3612 173.5627 26 G 4.0572 8.4906 107.1297 45.1743 0.0000 173.4490 27 L 4.4646 7.4167 119.9593 52.9693 42.2301 176.6007 28 P 4.9291 0.0000 0.0000 62.4941 30.9927 176.9241 29 V 3.8354 7.7858 116.9906 61.6572 31.6688 176.4598 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 C 7.88 4.77 0.00 3.18 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.34 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.76 4.65 0.00 1.96 1.76 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 2.29 2.29 0.00 4 T 8.44 4.88 4.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 5 C 8.42 5.54 0.00 3.28 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.74 3.99 0.00 2.96 3.28 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 7 G 8.42 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.09 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 4.74 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 10 C 8.34 5.24 0.00 2.98 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 11 N 10.27 4.35 0.00 2.60 3.09 0.00 0.00 7.22 7.59 0.00 0.00 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 T 8.56 3.94 4.26 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 1.22 0.00 0.00 13 P 0.00 4.32 0.00 2.18 2.06 0.00 3.85 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 14 G 8.80 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 15 C 8.07 5.11 0.00 2.97 3.02 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 0.00 16 S 9.24 4.34 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.92 4.72 0.00 3.10 3.08 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 0.00 0.00 0.00 0.00 18 T 8.67 4.25 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 19 W 7.22 4.47 0.00 3.18 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.55 0.00 0.93 0.49 0.00 3.38 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.96 0.00 21 I 7.93 4.99 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.88 0.93 0.00 0.00 22 C 9.15 5.17 0.00 3.05 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 23 T 9.30 4.78 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 24 R 9.60 4.42 0.00 1.83 1.96 0.00 3.28 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 25 D 8.95 4.18 0.00 2.83 2.71 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 26 G 8.49 4.06 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 0.00 0.00 0.00 27 L 7.42 4.46 0.00 1.87 1.61 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.93 0.00 2.04 2.07 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 29 V 7.79 3.84 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 0.75 0.00 0.00 0.96 0.00 0.00