NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4042 8.3301 115.4127 60.5499 63.9594 172.4523 2 A 4.8136 8.2540 129.7948 53.3642 20.0905 171.1726 3 V 4.3744 7.9767 107.4952 61.2522 35.9995 170.6577 4 L 4.7367 8.1154 118.9685 53.8056 45.5273 175.6196 5 Q 4.2802 8.4824 122.2787 54.7479 29.2240 175.9904 6 K 4.2570 8.5386 124.8784 56.4912 32.6155 176.4425 7 K 4.5775 8.9212 120.3924 54.8054 34.2235 177.9291 8 I 3.7824 8.1404 120.1683 63.8611 38.3433 178.0706 9 T 4.2652 7.9293 109.8331 64.1508 68.5805 175.3090 10 D 4.6718 7.7768 118.3383 55.5540 40.5928 176.2686 11 Y 4.4817 7.7927 114.6989 57.6665 40.9846 175.6333 12 F 5.2289 8.1690 118.3973 55.8769 41.6410 173.9423 13 H 5.2018 8.5421 121.5609 52.9688 31.8556 171.5604 14 P 4.1721 0.0000 0.0000 61.8768 32.0165 176.1279 15 K 4.0105 8.9684 122.4586 57.6702 32.3788 177.0287 16 K 5.0009 7.9907 124.9354 55.7777 31.3985 175.6861 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 4.40 0.00 3.99 3.95 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 2 A 8.25 4.81 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.37 2.09 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 0.66 0.00 0.00 0.93 0.00 0.00 4 L 8.12 4.74 0.00 1.57 1.50 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.48 4.28 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 6 K 8.54 4.26 0.00 1.96 2.02 0.00 1.99 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.50 7.81 7 K 8.92 4.58 0.00 1.83 1.74 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 8 I 8.14 3.78 1.86 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.98 0.98 0.00 0.00 9 T 7.93 4.27 4.31 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 1.26 0.00 0.00 10 D 7.78 4.67 0.00 2.28 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.48 0.00 2.18 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 5.23 0.00 3.09 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 5.20 0.00 3.17 3.19 0.00 5.74 0.00 0.00 0.00 0.00 6.94 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 4.17 0.00 2.06 2.04 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 15 K 8.97 4.01 0.00 1.72 1.74 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.40 7.81 16 K 7.99 5.00 0.00 1.79 1.65 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.57 7.81