NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8930 8.2133 109.7256 45.4237 0.0000 175.2855 2 I 3.6485 7.0338 120.8507 61.1646 37.9421 171.7534 3 V 4.2044 7.5899 119.5651 62.6011 32.7731 174.4215 4 E 4.7953 7.8904 122.2647 56.7857 36.8443 177.5446 5 Q 4.0837 8.1539 118.4191 58.1252 29.3364 175.6101 6 C 5.3516 7.9647 114.9755 55.8230 45.7085 174.6812 7 C 4.0513 8.0683 118.2469 61.1875 31.3735 173.5948 8 T 4.4637 7.1914 107.3502 60.9233 69.2350 174.4576 9 S 4.4744 7.4287 112.2386 57.5551 66.1099 175.9516 10 I 3.8979 8.6093 125.6680 62.0955 37.6301 176.2139 11 C 5.2319 8.3763 120.7299 55.5628 39.1991 173.5898 12 S 4.7212 7.8012 115.6402 57.0638 66.6662 174.8843 13 L 3.9108 7.6637 123.6645 58.2222 41.4918 178.7297 14 Y 4.3228 6.7209 115.8085 61.2485 38.3443 177.7863 15 Q 4.0613 8.0250 118.4883 58.9262 28.6488 178.5895 16 L 4.2917 7.9485 119.5320 57.1543 41.6231 178.7754 17 E 4.0584 7.9484 118.8508 58.5698 29.3847 177.9682 18 N 4.4099 7.5126 114.8978 55.2838 38.6061 175.6681 19 Y 4.7463 6.9217 116.2549 57.3104 38.5951 175.5221 20 C 4.4552 7.1770 118.2246 59.2973 29.0082 173.5258 21 N 4.5475 8.6025 117.7512 53.8377 38.0951 175.3045 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 8.21 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.03 3.65 1.62 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.09 0.81 0.00 0.00 3 V 7.59 4.20 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 0.69 0.00 0.00 0.87 0.00 0.00 4 E 7.89 4.80 0.00 1.91 1.82 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 2.15 2.17 0.00 5 Q 8.15 4.08 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 6 C 7.96 5.35 0.00 2.98 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 7 C 8.07 4.05 0.00 2.93 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 7.19 4.46 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 1.25 0.00 0.00 9 S 7.43 4.47 0.00 4.01 3.96 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 10 I 8.61 3.90 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.40 0.89 0.00 0.00 11 C 8.38 5.23 0.00 2.95 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 S 7.80 4.72 0.00 3.66 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 7.66 3.91 0.00 1.49 1.25 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.72 4.32 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 15 Q 8.02 4.06 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 16 L 7.95 4.29 0.00 1.72 1.78 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.95 4.06 0.00 2.28 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 0.00 2.31 2.37 0.00 18 N 7.51 4.41 0.00 2.32 2.58 0.00 0.00 6.77 7.15 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 19 Y 6.92 4.75 0.00 3.15 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 7.18 4.46 0.00 3.20 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.60 4.55 0.00 2.71 2.75 0.00 0.00 6.81 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00