NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3124 8.2493 123.5807 51.5640 20.0726 177.1379 2 S 4.1356 8.1972 115.2558 57.4651 64.9191 173.1389 3 P 4.1941 0.0000 0.0000 65.5975 31.4493 180.1796 4 E 3.8245 8.0066 117.1595 59.1736 29.5760 179.0103 5 L 3.7125 7.7622 119.8968 58.0569 42.0144 178.7294 6 A 3.9678 7.8668 119.5323 55.3362 18.4353 179.3633 7 S 4.2035 8.0577 110.2480 59.4210 62.4759 174.5756 8 G 3.7017 7.6653 108.6504 46.2148 0.0000 174.4411 9 K 3.9115 7.6350 120.2478 56.2860 32.8513 177.4876 10 V 4.0302 6.5298 116.3879 59.1632 34.3725 174.6565 11 W 5.0673 8.2765 119.7964 54.5693 32.7553 175.5147 12 I 4.0036 8.5030 122.0779 61.8434 37.0327 176.3491 13 R 4.4874 8.6146 120.6226 55.7941 31.9707 175.1956 14 Y 4.7904 7.6713 114.6516 55.3718 41.7565 173.4281 15 P 4.4996 0.0000 0.0000 63.0618 31.7525 175.7665 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 A 8.25 4.31 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 2 S 8.20 4.14 0.00 4.24 3.99 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 P 0.00 4.19 0.00 2.14 2.11 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 4 E 8.01 3.82 0.00 1.96 1.86 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 2.33 2.35 0.00 5 L 7.76 3.71 0.00 1.72 1.60 0.91 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.87 3.97 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 7 S 8.06 4.20 0.00 3.87 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 8 G 7.67 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 0.00 0.00 0.00 9 K 7.64 3.91 0.00 1.64 1.67 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.23 7.81 10 V 6.53 4.03 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 0.63 0.00 0.00 0.88 0.00 0.00 11 W 8.28 5.07 0.00 3.43 2.99 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 I 8.50 4.00 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.53 1.01 0.00 0.00 13 R 8.61 4.49 0.00 1.67 1.36 0.00 3.23 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.64 0.00 14 Y 7.67 4.79 0.00 2.93 2.83 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 P 0.00 4.50 0.00 2.21 2.05 0.00 3.98 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00