NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2989 8.3033 121.4700 56.0100 32.0783 177.7926 2 K 3.7754 8.0001 118.5332 58.9752 32.1350 177.3672 3 M 4.1261 8.1515 117.7705 58.2420 32.5874 177.7250 4 S 4.1497 7.9083 113.5575 61.3118 62.7657 175.5487 5 T 4.1076 8.1477 111.6469 63.7153 68.8191 176.5072 6 A 4.1490 7.7912 123.8933 54.4761 18.5281 179.5159 7 I 3.7414 7.7566 112.0344 64.2032 37.8587 178.4926 8 S 4.0803 7.9632 114.6197 60.8188 62.2236 176.2144 9 V 3.5796 7.6505 120.6143 65.9051 31.3187 177.6331 10 L 3.9365 7.6693 118.1786 58.2591 41.5716 179.6551 11 L 4.0171 7.7477 118.2556 57.6138 41.4720 179.3318 12 A 3.9938 7.9805 120.7857 55.6537 18.3744 179.7320 13 Q 4.0547 8.1452 115.7162 59.0053 28.5055 179.0483 14 A 4.0544 7.6937 121.1422 55.1960 18.6563 179.4855 15 V 3.7465 7.8865 116.7238 65.6511 31.5740 177.8238 16 F 3.8949 8.2282 120.6608 61.4152 39.3903 177.0311 17 L 4.1053 8.2986 118.4290 57.4542 41.3779 179.5926 18 L 3.9016 7.7744 120.8523 58.0989 42.1634 178.9949 19 L 3.9804 7.7025 119.0441 58.7161 40.0680 179.1977 20 T 3.7082 7.3008 116.5277 66.4486 68.4827 176.3995 21 S 4.2558 7.6161 114.3775 61.6466 63.3203 176.0783 22 Q 4.2109 7.8074 118.9870 56.6547 28.5225 176.2404 23 R 4.1204 7.7110 125.7508 56.4645 30.5060 174.2114 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 E 8.30 4.30 0.00 2.06 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 2.27 2.40 0.00 2 K 8.00 3.78 0.00 1.96 1.83 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.61 7.81 3 M 8.15 4.13 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 4 S 7.91 4.15 0.00 3.93 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.15 4.11 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 1.31 0.00 0.00 6 A 7.79 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.76 3.74 1.87 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 1.66 1.13 0.97 0.00 0.00 8 S 7.96 4.08 0.00 3.91 3.90 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 9 V 7.65 3.58 2.15 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 0.96 0.00 0.00 0.96 0.00 0.00 10 L 7.67 3.94 0.00 1.90 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.75 4.02 0.00 1.76 1.74 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.98 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.15 4.05 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.43 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 14 A 7.69 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.89 3.75 2.23 0.00 0.00 0.00 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 1.00 0.00 0.00 16 F 8.23 3.89 0.00 3.14 3.16 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 17 L 8.30 4.11 0.00 1.79 1.77 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.77 3.90 0.00 1.72 1.84 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.70 3.98 0.00 1.80 1.77 0.52 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.30 3.71 4.34 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 0.00 0.00 0.00 1.22 0.00 0.00 21 S 7.62 4.26 0.00 4.05 3.98 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 22 Q 7.81 4.21 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 23 R 7.71 4.12 0.00 1.67 1.87 0.00 3.20 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00