NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2755 8.3301 116.7951 57.7196 64.1537 173.1294 2 A 5.0219 8.1533 135.0000 51.4400 19.7230 171.9158 3 V 3.6310 7.8740 121.3152 66.0154 32.9219 174.3037 4 L 4.4174 7.5178 119.3997 53.6539 41.4638 175.7464 5 Q 3.9415 8.6013 125.2504 55.8577 29.0010 175.9472 6 K 4.3572 8.4936 125.0958 56.0580 33.4002 176.1740 7 K 4.7068 8.4263 118.8864 54.4762 34.5900 178.0299 8 I 3.5503 8.2908 122.4477 64.7492 37.1081 178.1418 9 T 4.3962 7.6039 106.9715 62.4656 68.8992 174.9891 10 D 4.2788 7.9468 122.2336 56.3942 40.5941 175.4847 11 Y 4.4980 7.3831 114.5225 59.2512 40.0959 175.8396 12 F 4.6304 7.4653 117.5656 58.2487 39.8797 174.4588 13 H 5.0076 8.4885 120.5085 53.1427 32.7348 171.5391 14 P 4.4732 0.0000 0.0000 62.4108 31.9345 176.9751 15 K 4.1272 8.7415 122.4798 59.0843 32.2631 177.2413 16 K 4.1108 7.7154 120.5356 56.9826 32.9348 175.4855 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 4.28 0.00 3.88 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 5.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.63 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 0.85 0.00 0.00 0.93 0.00 0.00 4 L 7.52 4.42 0.00 1.76 1.66 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.60 3.94 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 6 K 8.49 4.36 0.00 1.93 1.88 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.46 7.81 7 K 8.43 4.71 0.00 1.93 1.67 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.37 7.81 8 I 8.29 3.55 1.81 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.71 0.00 0.00 9 T 7.60 4.40 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 1.22 0.00 0.00 10 D 7.95 4.28 0.00 2.46 2.26 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 11 Y 7.38 4.50 0.00 2.31 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 12 F 7.47 4.63 0.00 2.98 2.92 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 H 8.49 5.01 0.00 3.11 3.17 0.00 5.90 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.47 0.00 2.07 2.01 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 15 K 8.74 4.13 0.00 1.75 1.88 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.47 7.81 16 K 7.72 4.11 0.00 1.70 1.65 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.36 7.81