NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 5.0033 7.8774 117.5574 56.5967 42.4061 173.0331 2 G 3.9920 8.3456 107.0889 43.6585 0.0000 170.5078 3 E 4.1844 7.5406 117.7401 55.8500 31.4477 173.8299 4 T 4.8148 7.8637 108.5951 60.0055 71.9662 172.7512 5 C 5.5515 8.5609 116.4710 53.9295 41.9741 175.9032 6 T 3.3563 7.8260 117.7630 67.5736 68.5179 175.6217 7 L 4.3270 8.2122 119.7790 56.8909 42.2641 176.5151 8 G 3.8327 7.5566 105.6852 45.3865 0.0000 173.1738 9 T 4.8413 7.9548 116.3988 61.6362 72.2807 173.3253 10 C 5.3818 8.5479 119.1275 55.7103 43.4368 174.1845 11 Y 4.0719 8.7607 119.8195 59.2328 38.2605 175.8890 12 T 4.4374 8.4757 117.9069 61.4440 69.1629 174.2201 13 Q 4.0496 8.4417 128.0807 57.2415 29.6649 176.2564 14 G 4.0300 8.9777 111.6566 45.1193 0.0000 173.8718 15 C 5.0564 7.4550 117.3114 55.5865 42.8521 173.7710 16 T 4.4160 9.0604 114.1917 61.0551 70.6258 173.6600 17 C 4.8869 8.8218 124.4239 55.9711 42.6739 173.4767 18 S 4.5639 8.1396 125.3540 56.1314 61.2601 173.8152 19 W 4.2696 7.8781 130.5824 55.4920 32.0572 173.9984 20 P 2.9700 0.0000 0.0000 64.1754 31.8850 176.0229 21 I 4.3678 7.4325 121.2473 60.4156 39.6044 174.9379 22 C 5.2346 8.2940 121.1996 55.5929 36.7845 173.7675 23 K 4.8501 8.8475 122.6899 54.5660 35.9453 175.4965 24 R 4.5515 8.8734 122.3038 54.7841 32.2799 174.7583 25 N 4.1752 9.7463 123.1847 54.1822 36.1800 174.7120 26 G 3.7909 9.5809 102.9068 45.7453 0.0000 174.8786 27 L 4.4799 7.6377 118.2848 52.6212 46.1121 175.9522 28 P 4.6392 0.0000 0.0000 62.2632 30.8227 176.6894 29 V 3.8877 7.4007 122.6937 62.5365 31.6208 176.0618 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 C 7.88 5.00 0.00 3.06 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.35 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 0.00 0.00 0.00 3 E 7.54 4.18 0.00 2.04 2.05 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 2.34 2.26 0.00 4 T 7.86 4.81 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 5 C 8.56 5.55 0.00 3.15 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.83 3.36 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 7 L 8.21 4.33 0.00 1.72 1.80 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.56 3.83 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 0.00 0.00 0.00 9 T 7.95 4.84 4.37 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 1.31 0.00 0.00 10 C 8.55 5.38 0.00 2.97 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.07 0.00 3.06 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 12 T 8.48 4.44 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 13 Q 8.44 4.05 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 14 G 8.98 4.03 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 0.00 0.00 0.00 15 C 7.46 5.06 0.00 3.06 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 16 T 9.06 4.42 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 17 C 8.82 4.89 0.00 3.07 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.14 4.56 0.00 4.00 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 W 7.88 4.27 0.00 3.23 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 20 P 0.00 2.97 0.00 1.18 0.49 0.00 3.61 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.22 0.00 21 I 7.43 4.37 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.20 0.90 0.00 0.00 22 C 8.29 5.23 0.00 2.97 3.01 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 0.00 0.00 0.00 23 K 8.85 4.85 0.00 1.74 1.68 0.00 1.47 0.00 0.00 1.58 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.39 7.81 24 R 8.87 4.55 0.00 1.79 1.77 0.00 3.24 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 25 N 9.75 4.18 0.00 2.92 2.90 0.00 0.00 7.31 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 9.58 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.64 4.48 0.00 1.88 1.53 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.64 0.00 2.15 2.09 0.00 3.73 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 29 V 7.40 3.89 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.93 0.00 0.00