NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2894 8.2993 121.7876 56.2303 33.3560 174.6731 2 V 4.2248 7.9223 123.7530 59.0450 34.2337 174.8525 3 G 3.8526 8.1098 111.1209 43.8099 0.0000 175.5208 4 R 3.5520 8.3266 123.2723 59.6229 29.6819 178.4215 5 N 4.4897 8.1769 113.9447 54.3306 39.1722 173.4281 6 D 4.9336 8.8620 118.8279 51.7944 43.2916 173.4085 7 P 4.1993 0.0000 0.0000 63.3529 31.4851 175.2787 8 C 3.8656 9.0731 122.8819 58.8344 31.9094 173.0773 9 P 4.3693 0.0000 0.0000 65.4476 31.0580 177.2165 10 C 4.1099 8.1399 113.5468 59.4873 29.4380 174.0102 11 G 3.8497 8.1434 107.7005 46.2567 0.0000 174.7901 12 S 4.3583 8.9312 115.6224 60.3426 64.0068 173.6818 13 G 3.4565 7.8608 112.3470 44.9319 0.0000 173.8133 14 K 4.4220 7.5899 119.9295 54.9036 33.5916 176.5852 15 K 4.7500 8.2538 121.0659 56.5178 34.9617 177.0535 16 Y 4.2921 8.2911 120.9246 61.3131 38.3870 178.7077 17 K 3.8681 7.6392 117.8916 59.8268 32.4152 177.6725 18 Q 4.2870 7.9196 118.4875 55.6227 30.4373 175.7903 19 C 4.6262 8.7866 115.1546 59.2730 31.2674 175.3221 20 H 3.9909 9.1843 113.7025 58.4581 28.2102 176.2762 21 G 2.7783 6.5182 106.9983 48.0292 0.0000 173.4015 22 R 4.0520 7.4916 122.1653 56.6028 31.4257 174.6026 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 K 8.30 4.29 0.00 1.74 1.77 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.40 7.81 2 V 7.92 4.22 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.63 0.00 0.00 3 G 8.11 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 0.00 0.00 0.00 4 R 8.33 3.55 0.00 2.11 2.45 0.00 3.03 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 5 N 8.18 4.49 0.00 2.70 2.88 0.00 0.00 6.77 8.48 0.00 0.00 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 D 8.86 4.93 0.00 2.54 2.57 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 0.00 7 P 0.00 4.20 0.00 2.22 2.11 0.00 3.86 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 8 C 9.07 3.87 0.00 3.28 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 9 P 0.00 4.37 0.00 2.20 2.11 0.00 4.01 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.84 0.00 10 C 8.14 4.11 0.00 3.16 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 11 G 8.14 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 0.00 0.00 0.00 12 S 8.93 4.36 0.00 4.01 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 13 G 7.86 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.59 4.42 0.00 1.92 1.74 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.42 7.81 15 K 8.25 4.75 0.00 2.36 1.98 0.00 1.56 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 16 Y 8.29 4.29 0.00 2.96 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 17 K 7.64 3.87 0.00 2.10 2.01 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.50 7.81 18 Q 7.92 4.29 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 19 C 8.79 4.63 0.00 3.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.18 3.99 0.00 3.10 3.22 0.00 5.98 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 6.52 2.78 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 0.00 0.00 0.00 22 R 7.49 4.05 0.00 1.83 1.72 0.00 3.33 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00