NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5889 8.2048 119.7443 55.3336 33.9709 176.2683 2 D 4.3251 8.2009 118.0984 54.6688 41.3023 174.8956 3 P 4.3173 0.0000 0.0000 63.9481 31.9774 176.3675 4 N 4.8289 8.2058 110.6407 52.4553 41.1409 173.6804 5 C 4.6495 8.0464 119.3914 58.2422 33.3495 173.8877 6 S 4.7272 8.5976 121.1764 58.6132 63.7724 174.5077 7 C 4.6394 7.7101 119.6756 59.2428 26.3026 171.9902 8 A 4.6052 7.3759 123.7351 53.5352 24.2746 178.6329 9 A 4.2840 7.3711 118.2012 51.7529 18.6108 177.0738 10 G 3.9240 8.5948 103.3813 45.3066 0.0000 171.9977 11 D 4.4608 8.4786 122.1316 54.3862 40.1500 176.8945 12 S 4.6058 8.2464 115.8285 58.2240 64.2101 174.9844 13 C 4.4272 7.9568 123.0791 59.1120 29.7453 173.2106 14 T 4.5475 7.6850 126.5452 63.4245 68.9070 175.9999 15 C 5.2345 8.3485 116.2196 59.3345 29.7530 174.7362 16 A 3.7073 7.7643 117.9572 55.4830 17.1086 179.3483 17 G 4.1242 9.3028 107.3248 42.0269 0.0000 174.5526 18 S 5.5123 6.8782 123.0081 58.3007 64.4061 176.1378 19 C 5.1407 7.7400 126.0693 57.3492 30.6950 173.9291 20 K 3.8599 7.9315 119.8591 57.8548 33.2375 178.1029 21 C 4.1300 7.1651 120.0698 59.4967 33.4091 172.0586 22 K 3.8795 8.9895 128.0200 58.2347 30.5045 177.8133 23 E 4.3015 5.9000 115.4727 55.2083 29.9684 174.9811 24 C 3.8425 7.7410 117.7691 59.9822 32.3056 172.8591 25 K 4.4072 8.3363 123.3672 55.5757 33.5291 174.9993 26 C 3.8850 8.1580 116.1504 61.1257 28.0155 174.2131 27 T 3.8659 8.6976 121.6353 66.9954 68.1460 176.0560 28 S 4.1399 8.1004 115.6098 61.1564 63.5103 174.9189 29 C 4.6944 7.6996 121.3454 57.0625 30.3750 173.5379 30 K 4.1195 7.4518 123.3265 57.1642 32.6084 176.3263 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 8.20 4.59 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 2 D 8.20 4.33 0.00 2.79 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.32 0.00 2.17 1.96 0.00 3.78 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 4 N 8.21 4.83 0.00 2.86 2.77 0.00 0.00 6.21 7.66 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 5 C 8.05 4.65 0.00 3.03 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.60 4.73 0.00 4.03 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.71 4.64 0.00 2.98 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 8 A 7.38 4.61 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.37 4.28 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.59 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 11 D 8.48 4.46 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.25 4.61 0.00 3.90 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 13 C 7.96 4.43 0.00 2.95 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 7.69 4.55 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 C 8.35 5.23 0.00 2.96 2.96 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 16 A 7.76 3.71 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.30 4.12 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 0.00 0.00 0.00 18 S 6.88 5.51 0.00 4.11 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 19 C 7.74 5.14 0.00 2.94 2.82 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 0.00 20 K 7.93 3.86 0.00 1.90 1.92 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.42 7.81 21 C 7.17 4.13 0.00 2.80 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 22 K 8.99 3.88 0.00 1.75 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.37 7.81 23 E 5.90 4.30 0.00 2.06 1.92 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 2.31 2.28 0.00 24 C 7.74 3.84 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.34 4.41 0.00 1.70 1.74 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.35 7.81 26 C 8.16 3.88 0.00 3.02 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 27 T 8.70 3.87 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 28 S 8.10 4.14 0.00 3.85 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 29 C 7.70 4.69 0.00 2.89 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 30 K 7.45 4.12 0.00 2.05 1.62 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.42 7.81