NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0411 8.3544 109.7427 44.3605 0.0000 174.0661 2 I 3.9011 7.6131 115.6543 60.3390 41.1709 172.4726 3 V 3.4669 7.8391 119.4152 66.0578 32.2120 177.0447 4 E 4.1699 8.0570 117.2771 58.4853 29.5590 177.7259 5 Q 4.2112 7.7994 118.2244 58.4103 29.7820 177.1519 6 C 4.6699 8.5818 116.4626 57.2861 40.6685 174.2200 7 C 4.6734 8.3336 120.5635 59.3280 31.3032 173.6965 8 T 4.4922 7.9205 108.7072 62.7085 69.9308 176.1780 9 S 4.4775 7.7591 115.3495 57.6114 64.5193 169.9246 10 I 3.4574 7.8314 127.8255 60.3066 37.0038 174.6900 11 C 4.6733 8.5200 121.7026 56.3079 38.6862 173.5886 12 S 4.7613 8.4492 116.5668 57.3539 64.7857 175.3480 13 L 3.8903 8.4718 124.8680 58.9376 41.6825 178.7077 14 Y 4.1264 8.0411 115.9362 61.0653 37.3950 178.1642 15 Q 4.2356 8.1747 118.6791 58.9560 28.8862 178.6038 16 L 4.4008 8.1527 120.2238 57.7783 41.5450 179.1736 17 E 4.0302 8.0241 118.3915 59.5084 29.1291 178.9584 18 N 4.1299 7.6339 114.5133 56.2509 38.6573 175.5595 19 Y 4.2947 7.6543 113.6158 58.7730 38.5785 175.5593 20 C 4.1993 7.9128 120.4372 59.4966 32.2390 172.8788 21 N 4.5171 8.5686 120.9250 53.8338 38.5747 174.7992 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 8.35 4.04 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 0.00 0.00 0.00 2 I 7.61 3.90 1.36 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.46 0.77 0.00 0.00 3 V 7.84 3.47 2.05 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 1.03 0.00 0.00 0.88 0.00 0.00 4 E 8.06 4.17 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 5 Q 7.80 4.21 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 6 C 8.58 4.67 0.00 2.92 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 7 C 8.33 4.67 0.00 2.83 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 8 T 7.92 4.49 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 1.24 0.00 0.00 9 S 7.76 4.48 0.00 3.84 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 3.46 1.88 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 1.43 1.15 0.92 0.00 0.00 11 C 8.52 4.67 0.00 2.98 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 12 S 8.45 4.76 0.00 4.13 3.95 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 13 L 8.47 3.89 0.00 1.54 1.38 0.79 0.29 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 8.04 4.13 0.00 3.19 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 15 Q 8.17 4.24 0.00 2.46 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.97 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 16 L 8.15 4.40 0.00 1.89 1.77 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.02 4.03 0.00 2.24 2.02 0.00 0.00 0.00 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 2.29 0.00 18 N 7.63 4.13 0.00 2.26 2.46 0.00 0.00 6.89 7.29 0.00 0.00 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 7.65 4.29 0.00 3.17 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 20 C 7.91 4.20 0.00 2.98 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.52 0.00 2.74 2.68 0.00 0.00 6.88 7.57 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