NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0224 8.2133 109.7443 44.9359 0.0000 174.2415 2 I 3.5869 8.5394 119.1917 63.7744 36.8369 173.1921 3 V 3.5657 8.6573 120.1434 66.1930 31.7142 177.5922 4 E 4.0615 8.1789 117.6653 59.4828 29.2705 178.8793 5 Q 3.9773 8.6231 119.8846 59.6001 28.8556 177.8751 6 C 4.2651 8.3800 116.7122 59.7507 40.2255 175.3096 7 C 4.2724 7.4666 118.1703 62.3239 31.5711 175.4628 8 T 4.0936 8.0904 110.3450 62.0889 68.8602 175.2332 9 S 4.6114 8.6214 111.3243 57.6281 62.2620 176.4739 10 I 4.6864 8.5087 106.2346 59.8617 40.0615 172.2072 11 C 5.0222 8.3355 114.6089 53.4702 38.8516 173.7328 12 S 4.9204 8.8533 115.7554 56.8635 65.8955 175.3428 13 L 4.0179 8.3085 122.3015 57.8252 41.6294 179.1154 14 Y 4.1214 7.7886 116.6756 61.1359 37.9555 178.1772 15 Q 4.0789 8.3872 118.9897 58.9427 28.7856 178.8508 16 L 4.3012 7.8315 119.6650 57.5578 41.7474 179.1277 17 E 4.0690 7.9953 117.9975 58.9755 29.0563 178.8810 18 N 4.3143 7.7248 115.9985 55.8935 38.5850 175.9383 19 Y 4.5002 7.6202 115.7759 57.9310 38.6052 175.7271 20 C 4.4444 7.0772 117.5559 59.4480 29.0284 173.4739 21 N 4.5533 8.5715 118.0487 53.7633 38.2313 175.3573 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 G 8.21 4.02 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 0.00 0.00 0.00 2 I 8.54 3.59 2.13 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 1.08 0.00 0.00 3 V 8.66 3.57 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.46 0.00 0.00 4 E 8.18 4.06 0.00 2.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 5 Q 8.62 3.98 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 6 C 8.38 4.27 0.00 3.13 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.47 4.27 0.00 3.01 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.09 4.09 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 1.26 0.00 0.00 9 S 8.62 4.61 0.00 3.80 3.14 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 0.00 0.00 0.00 0.00 10 I 8.51 4.69 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.92 0.00 0.00 11 C 8.34 5.02 0.00 3.25 3.09 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 0.00 0.00 0.00 0.00 12 S 8.85 4.92 0.00 4.27 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 4.02 0.00 1.27 1.56 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.79 4.12 0.00 3.05 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 4.08 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 16 L 7.83 4.30 0.00 1.88 1.80 0.94 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.00 4.07 0.00 2.28 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 0.00 2.30 2.44 0.00 18 N 7.72 4.31 0.00 2.50 2.50 0.00 0.00 6.98 7.44 0.00 0.00 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 Y 7.62 4.50 0.00 3.11 2.95 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 20 C 7.08 4.44 0.00 3.09 2.88 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 0.00 0.00 0.00 21 N 8.57 4.55 0.00 2.73 2.74 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00