NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2929 8.3349 116.7884 58.0024 64.3268 172.2674 2 W 4.4699 8.2700 121.0364 55.8597 29.8335 174.5473 3 Y 4.8757 8.8269 119.5627 56.1648 42.1990 174.3384 4 S 4.7880 8.7999 115.9973 56.5992 65.1957 173.0247 5 Y 4.9111 8.4842 127.0424 55.0579 39.6691 172.9433 6 P 4.3436 0.0000 0.0000 61.2413 32.0628 175.2450 7 P 4.2102 0.0000 0.0000 61.6601 31.9072 174.2094 8 P 4.1205 0.0000 0.0000 63.0239 31.6694 176.4817 9 Q 4.1121 8.5290 123.1701 56.2426 29.6819 175.4087 10 R 4.6588 8.2985 121.1202 54.3312 33.3751 175.8431 11 A 4.3258 8.4170 121.7198 52.3905 19.2676 176.7347 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 S 8.33 4.29 0.00 3.67 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 2 W 8.27 4.47 0.00 3.28 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.83 4.88 0.00 2.97 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 4 S 8.80 4.79 0.00 3.86 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 5 Y 8.48 4.91 0.00 2.83 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 6 P 0.00 4.34 0.00 2.01 1.94 0.00 3.77 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 7 P 0.00 4.21 0.00 1.98 1.94 0.00 3.65 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 1.99 2.07 0.00 8 P 0.00 4.12 0.00 2.02 1.98 0.00 3.85 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 9 Q 8.53 4.11 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 10 R 8.30 4.66 0.00 1.78 1.77 0.00 3.21 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 11 A 8.42 4.33 1.20 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 0.00 0.00