NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.2604 8.1600 109.1362 45.6367 0.0000 173.6099 2 I 3.4647 8.1714 117.6405 63.7026 37.8454 173.8967 3 V 3.4117 8.4192 114.1911 64.2740 31.8313 177.8319 4 E 3.9845 8.0604 117.9624 59.3727 28.0687 179.2755 5 Q 3.9666 8.2020 117.9562 59.1100 28.7700 177.5043 6 C 4.7892 8.5434 115.9246 56.8964 40.7703 174.0641 7 C 4.2729 8.0095 117.3217 60.2737 28.8370 174.8683 8 T 4.2226 7.9099 115.7859 65.0451 69.0960 174.7034 9 S 4.6854 7.3700 111.4112 55.9062 65.7607 172.3465 10 I 3.8965 8.1742 124.5836 60.6635 38.3018 176.2538 11 C 4.7650 8.5871 125.6102 56.4344 36.9847 174.2477 12 S 4.5462 9.5168 119.3846 57.6325 65.1714 175.4764 13 L 4.0635 8.3849 120.8827 57.9328 41.0146 178.9849 14 Y 4.1253 8.0379 118.4741 60.9355 38.6973 177.8055 15 Q 3.9636 8.0988 118.6777 58.6572 28.7724 178.5195 16 L 4.2715 8.0069 120.1921 57.7200 41.6057 179.0865 17 E 3.9543 8.5595 118.9583 59.3513 29.0784 178.7811 18 N 3.9627 7.3689 115.0253 56.1898 38.8932 175.3626 19 Y 4.3357 7.7763 115.7432 57.2153 38.7478 175.6898 20 C 4.3813 7.4484 118.6230 59.6309 28.9814 173.5072 21 N 4.5314 8.5824 118.6648 53.7063 38.2498 175.2681 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 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.46 1.19 0.00 0.00 -0.20 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 1.06 0.68 0.00 0.00 3 V 8.42 3.41 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 0.81 0.00 0.00 0.91 0.00 0.00 4 E 8.06 3.98 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 5 Q 8.20 3.97 0.00 2.34 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 6 C 8.54 4.79 0.00 2.95 3.11 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 7 C 8.01 4.27 0.00 3.13 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 8 T 7.91 4.22 4.25 0.00 0.00 0.00 0.00 0.00 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 7.37 4.69 0.00 3.77 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.90 1.88 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 1.43 0.94 0.92 0.00 0.00 11 C 8.59 4.76 0.00 3.03 3.04 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 0.00 0.00 0.00 0.00 12 S 9.52 4.55 0.00 4.09 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 0.00 13 L 8.38 4.06 0.00 1.77 1.80 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.04 4.13 0.00 2.93 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 15 Q 8.10 3.96 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 16 L 8.01 4.27 0.00 1.90 1.77 0.94 0.93 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 8.56 3.95 0.00 2.04 1.93 0.00 0.00 0.00 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 2.53 0.00 18 N 7.37 3.96 0.00 2.34 2.53 0.00 0.00 7.16 7.42 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 19 Y 7.78 4.34 0.00 2.98 2.99 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 20 C 7.45 4.38 0.00 3.00 2.87 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 21 N 8.58 4.53 0.00 2.72 2.73 0.00 0.00 6.81 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