NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4800 8.2544 117.2913 56.1084 32.2140 174.3187 2 V 3.3434 8.2602 121.4658 62.7462 30.2909 175.8213 3 W 4.8457 9.1804 110.6525 54.7768 31.9382 175.6962 4 Y 4.8046 8.0268 116.2547 55.3628 39.5082 173.3850 5 P 3.9876 0.0000 0.0000 62.5743 32.5591 179.0832 6 Y 4.3446 8.4396 122.7168 57.5507 36.3176 174.0646 7 G 4.4789 7.6634 109.0575 45.9974 0.0000 169.8613 8 S 4.3255 8.3553 112.1159 58.3767 64.6293 177.0453 9 Y 5.0481 7.9209 123.6809 56.9866 40.7713 174.1794 10 L 4.1374 8.7492 120.6048 55.6479 41.5522 174.9785 11 T 3.8465 8.2141 114.9695 63.4493 66.4313 172.6956 12 A 4.6925 8.1191 128.7975 52.4757 25.1156 176.2634 13 S 4.7893 7.9849 110.6285 56.8379 66.2399 173.7863 14 G 3.7729 8.2976 112.4762 45.3942 0.0000 173.8124 15 S 4.3784 7.6584 119.4199 58.3233 62.5601 176.7539 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 R 8.25 4.48 0.00 1.99 2.11 0.00 3.02 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 2 V 8.26 3.34 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.93 0.00 0.00 3 W 9.18 4.85 0.00 3.40 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 4 Y 8.03 4.80 0.00 2.95 3.06 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 5 P 0.00 3.99 0.00 2.00 1.09 0.00 3.71 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.46 0.00 6 Y 8.44 4.34 0.00 2.91 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.36 4.33 0.00 3.77 3.59 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 0.00 0.00 0.00 0.00 9 Y 7.92 5.05 0.00 3.05 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 10 L 8.75 4.14 0.00 1.51 1.64 -0.33 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.21 3.85 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 12 A 8.12 4.69 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.98 4.79 0.00 4.00 3.86 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 14 G 8.30 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.66 4.38 0.00 3.82 3.70 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