NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1056 7.9127 120.3120 61.7023 33.4941 176.9971 2 S 4.1666 7.9982 113.6728 59.1827 62.6544 169.5428 3 V 3.6991 7.7821 119.3760 64.8712 33.0046 176.8888 4 D 4.5246 7.8291 118.6683 56.9590 40.9468 176.0188 5 P 4.5061 0.0000 0.0000 64.3186 31.7617 176.8471 6 F 4.4428 7.7459 117.1223 57.7907 39.7986 177.0778 7 Y 4.3519 7.8039 117.8126 61.2358 37.4134 178.3551 8 E 4.3493 8.3872 117.5672 59.5024 29.2704 178.5082 9 M 4.1643 7.8281 119.1318 58.0752 32.4371 177.9041 10 L 4.2070 8.4524 118.9251 58.4364 42.0303 179.0792 11 A 4.1857 8.5847 120.0830 53.7084 18.3986 177.0497 12 A 4.1292 7.8400 117.5702 51.6010 19.3597 178.6162 13 R 4.2951 8.6035 119.6643 57.4747 29.9096 178.5620 14 K 4.0787 7.9790 119.6949 58.9847 31.6462 178.2616 15 K 3.8960 7.7128 119.7165 59.5389 31.9534 178.8253 16 R 4.0716 7.8821 115.5809 58.9668 29.3755 178.2496 17 I 3.9755 7.0028 119.5242 63.9424 37.3961 177.2079 18 S 4.3886 8.2533 111.4678 57.6235 62.8205 174.4762 19 V 3.7497 6.9717 120.1490 62.3609 31.8851 177.5823 20 K 4.0305 8.6260 121.6694 58.9049 31.6919 179.4545 21 K 4.2584 7.9417 121.5056 58.9006 31.9813 178.3867 22 K 4.0667 7.6673 118.2294 58.9252 32.1925 178.3488 23 Q 4.1831 7.6473 116.8223 57.3169 28.9523 176.0435 24 E 4.2925 7.4050 120.1136 55.3098 30.5154 175.4652 25 Q 4.2159 8.2556 121.3732 54.9280 29.8417 173.7708 26 P 4.4293 0.0000 0.0000 63.1157 31.4078 176.0570 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 V 7.91 4.11 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 0.76 0.00 0.00 0.95 0.00 0.00 2 S 8.00 4.17 0.00 3.95 3.90 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 3 V 7.78 3.70 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.79 0.00 0.00 4 D 7.83 4.52 0.00 3.05 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 5 P 0.00 4.51 0.00 2.18 2.15 0.00 3.84 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.10 0.00 6 F 7.75 4.44 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.80 4.35 0.00 3.31 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 8 E 8.39 4.35 0.00 2.21 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 2.36 2.39 0.00 9 M 7.83 4.16 0.00 2.00 2.34 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.47 0.00 10 L 8.45 4.21 0.00 1.70 1.80 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.58 4.19 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.60 4.30 0.00 2.03 2.20 0.00 3.15 0.00 0.00 3.34 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 14 K 7.98 4.08 0.00 1.82 1.90 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.50 7.81 15 K 7.71 3.90 0.00 1.83 1.79 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.56 7.81 16 R 7.88 4.07 0.00 2.01 2.07 0.00 3.10 0.00 0.00 3.24 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.73 0.00 17 I 7.00 3.98 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.75 0.91 0.00 0.00 18 S 8.25 4.39 0.00 3.90 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.97 3.75 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 20 K 8.63 4.03 0.00 1.78 1.90 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.43 7.81 21 K 7.94 4.26 0.00 1.82 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.36 7.81 22 K 7.67 4.07 0.00 1.74 1.95 0.00 1.85 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 23 Q 7.65 4.18 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 24 E 7.41 4.29 0.00 2.15 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 25 Q 8.26 4.22 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 26 P 0.00 4.43 0.00 2.22 2.02 0.00 3.85 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00