NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.3179 8.3601 120.1570 53.9734 41.8524 173.7850 2 A 3.8720 7.8686 128.3438 51.6494 18.9239 174.5742 3 E 4.5484 7.4167 124.2844 54.7623 32.2190 172.2765 4 F 5.1515 7.3920 121.5090 57.3147 41.4705 174.6926 5 R 5.2757 7.5266 121.7280 54.3940 30.2111 174.3410 6 H 4.9884 7.9952 112.4411 57.2169 35.7691 176.2807 7 D 4.8141 7.9490 117.6906 53.3592 42.5826 175.9624 8 S 4.5588 7.3916 109.6140 55.1423 63.5436 173.8961 9 G 3.8119 9.5446 112.4617 49.7924 0.0000 172.6977 10 Y 3.6475 7.4459 119.5951 58.0531 38.4714 172.9894 11 E 4.6105 9.2555 115.6011 56.7430 32.1684 177.1749 12 V 3.7159 9.1347 125.1949 63.5755 31.4122 171.9154 13 H 4.1137 8.4620 112.9534 57.3523 25.0004 175.3377 14 H 4.8004 8.3596 114.2780 55.5319 32.5200 174.4859 15 Q 4.5365 8.0899 115.6404 57.2936 30.8167 177.1816 16 E 3.8584 7.7549 116.3837 58.9465 29.5089 178.6190 17 L 3.9774 7.5864 117.5180 56.5334 41.6949 179.4077 18 V 3.5959 7.5083 119.4258 65.9097 31.6330 177.9829 19 F 4.4078 7.9854 113.8780 59.6555 37.8498 177.1787 20 F 4.1066 7.4164 121.0892 60.8603 39.0235 177.0657 21 A 3.8762 8.0625 120.6590 55.3192 18.0395 179.5760 22 E 4.0686 8.3689 115.9839 59.0935 29.4795 178.9967 23 D 4.3856 7.6948 117.8327 57.2298 41.4324 177.9859 24 V 3.6535 7.3966 117.4352 63.9905 31.5586 177.7589 25 G 4.9682 7.1077 115.8619 46.2247 0.0000 174.9587 26 S 4.5247 7.4121 114.5345 57.3759 64.6936 175.6660 27 N 4.2763 9.2638 114.7090 54.2220 37.3958 173.6878 28 K 4.2016 7.4458 120.6349 56.4917 32.7153 175.6781 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 D 8.36 4.32 0.00 2.30 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.87 3.87 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 4.55 0.00 1.85 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 2.18 2.34 0.00 4 F 7.39 5.15 0.00 3.16 3.16 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 0.00 5 R 7.53 5.28 0.00 1.66 1.59 0.00 3.19 0.00 0.00 3.16 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 6 H 8.00 4.99 0.00 3.11 3.20 0.00 5.80 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.95 4.81 0.00 2.84 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 7.39 4.56 0.00 3.97 4.01 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 9 G 9.54 3.81 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 0.00 0.00 0.00 10 Y 7.45 3.65 0.00 3.17 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.26 4.61 0.00 2.05 2.28 0.00 0.00 0.00 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 2.11 0.00 12 V 9.13 3.72 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.15 0.00 0.00 13 H 8.46 4.11 0.00 3.34 3.42 0.00 5.72 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.36 4.80 0.00 3.09 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.09 4.54 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.98 6.98 0.00 0.00 0.00 0.00 0.00 2.51 2.36 0.00 16 E 7.75 3.86 0.00 2.04 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 0.00 1.85 2.10 0.00 17 L 7.59 3.98 0.00 1.66 1.60 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.51 3.60 2.36 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 1.13 0.00 0.00 0.98 0.00 0.00 19 F 7.99 4.41 0.00 3.25 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 20 F 7.42 4.11 0.00 2.73 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 A 8.06 3.88 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.37 4.07 0.00 2.18 2.06 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 2.55 2.50 0.00 23 D 7.69 4.39 0.00 2.69 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.40 3.65 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.40 0.00 0.00 25 G 7.11 4.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.41 4.52 0.00 3.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.26 4.28 0.00 2.83 2.86 0.00 0.00 7.39 7.09 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 28 K 7.45 4.20 0.00 1.90 1.79 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.51 7.81