NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4697 8.1927 115.4348 58.4392 64.7064 174.2857 7 C 5.0693 8.3525 123.3230 53.3389 41.8961 170.2610 8 F 4.5482 8.3141 121.7453 56.7851 47.5254 175.6154 9 G 4.0717 7.7766 106.5937 44.0642 0.0000 173.2668 10 G 4.1066 8.7601 106.8988 48.6664 0.0000 173.5925 11 R 4.2569 7.0802 121.0687 55.5342 32.9293 174.6864 12 M 4.2877 9.0816 126.1039 58.0287 35.7519 179.9166 13 D 3.9281 6.9235 115.4052 57.6754 42.3284 178.5365 14 R 4.3475 7.9650 116.9885 56.2778 29.3896 177.3568 15 I 3.6667 7.5158 119.0016 62.9969 37.8322 175.9186 16 G 3.7240 8.7770 109.4873 47.0238 0.0000 173.5410 17 A 4.4697 8.8069 119.9614 51.8667 21.9112 178.3598 18 Q 5.6262 8.4524 126.0430 58.3114 27.9807 171.4409 19 S 4.6037 7.3389 115.7274 57.9150 63.0099 174.7616 20 G 4.2663 8.5275 120.5065 45.3082 0.0000 170.7483 21 L 4.7131 7.4264 112.3686 53.4205 44.8493 177.2780 22 G 4.0224 7.4361 103.8271 45.0687 0.0000 176.4478 23 C 4.5719 8.7215 123.2901 57.2868 34.9120 171.0341 24 N 4.4726 7.3787 119.2934 53.9786 42.1241 172.9754 25 S 6.2300 7.5973 119.2533 58.3695 63.8050 176.6657 26 F 4.1606 8.6780 123.8594 58.3576 39.2635 175.0716 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 6 S 8.19 4.47 0.00 4.18 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 0.00 7 C 8.35 5.07 0.00 2.97 2.79 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 8 F 8.31 4.55 0.00 3.08 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 9 G 7.78 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.76 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 0.00 0.00 0.00 11 R 7.08 4.26 0.00 1.81 1.85 0.00 3.45 0.00 0.00 3.16 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 12 M 9.08 4.29 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 13 D 6.92 3.93 0.00 2.91 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 14 R 7.96 4.35 0.00 1.83 1.96 0.00 3.35 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 15 I 7.52 3.67 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.63 0.93 0.00 0.00 16 G 8.78 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.81 4.47 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.45 5.63 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 19 S 7.34 4.60 0.00 4.02 3.91 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 20 G 8.53 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 0.00 0.00 0.00 0.00 21 L 7.43 4.71 0.00 1.56 1.60 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 22 G 7.44 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 23 C 8.72 4.57 0.00 2.91 2.90 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 24 N 7.38 4.47 0.00 2.67 2.69 0.00 0.00 6.51 7.07 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 25 S 7.60 6.23 0.00 4.09 3.91 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 26 F 8.68 4.16 0.00 3.03 2.90 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