NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0619 8.1600 109.1444 45.1431 0.0000 174.5811 2 I 3.0355 8.0549 120.8092 62.7201 37.7773 173.2743 3 V 3.4777 8.3368 119.9089 66.0105 32.0953 177.0348 4 E 3.9506 8.1575 117.8466 59.6301 28.2546 179.2173 5 Q 4.0792 8.1080 119.0920 58.9416 29.0754 176.5756 6 C 4.9302 8.1707 115.4574 56.3999 41.0005 174.0050 7 C 4.2501 8.1007 117.8049 60.2444 28.8659 174.8085 8 T 4.2891 7.8532 108.7637 63.0603 69.2189 175.1185 9 S 4.6920 7.4643 113.4055 56.2051 67.0587 173.3088 10 I 3.9647 8.2981 124.2894 61.6675 37.3350 176.3690 11 C 4.9151 8.5989 123.3041 55.5962 36.8445 174.4784 12 S 4.4993 8.6294 119.3421 58.0733 64.5327 175.5367 13 L 4.0798 8.4170 122.1971 57.8597 41.4017 178.9791 14 Y 4.0990 8.0258 119.2851 60.8941 38.7374 177.8083 15 Q 4.1157 8.2927 118.7466 59.0298 28.7081 178.8622 16 L 4.4529 8.0827 119.8243 57.4380 41.7843 178.9100 17 E 3.8952 7.9118 119.3427 58.9783 29.2153 178.4745 18 N 4.2191 7.4219 114.4220 55.7979 38.5640 175.8483 19 Y 4.4237 7.6863 115.9681 57.7113 38.5521 175.6267 20 C 4.3891 7.0365 117.7917 59.2807 29.0053 173.2477 21 N 4.4896 8.5401 118.8747 54.0473 38.5672 174.8190 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 8.16 4.06 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 0.00 0.00 0.00 2 I 8.05 3.04 0.71 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.95 0.66 0.00 0.00 3 V 8.34 3.48 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.16 3.95 0.00 2.25 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 2.41 2.44 0.00 5 Q 8.11 4.08 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.68 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 6 C 8.17 4.93 0.00 2.99 3.08 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 0.00 7 C 8.10 4.25 0.00 3.10 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 7.85 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 9 S 7.46 4.69 0.00 3.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 3.96 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.47 0.93 0.00 0.00 11 C 8.60 4.92 0.00 3.00 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 8.63 4.50 0.00 4.16 4.05 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 13 L 8.42 4.08 0.00 1.70 1.82 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.03 4.10 0.00 3.13 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.12 0.00 2.46 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 16 L 8.08 4.45 0.00 1.92 1.80 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.91 3.90 0.00 2.07 1.76 0.00 0.00 0.00 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 2.27 0.00 18 N 7.42 4.22 0.00 2.56 2.44 0.00 0.00 7.00 7.34 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 19 Y 7.69 4.42 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 20 C 7.04 4.39 0.00 3.06 2.86 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 0.00 0.00 0.00 21 N 8.54 4.49 0.00 2.69 2.69 0.00 0.00 6.86 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