NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6606 8.0027 118.2882 60.4457 39.2733 173.7517 2 C 5.0307 8.2296 118.4030 57.0752 45.3975 171.5508 3 Q 4.0743 9.0700 126.0369 54.5363 31.7392 175.3578 4 K 5.1666 8.1998 127.4595 57.4151 34.8220 173.1450 5 W 3.5399 7.7719 133.7041 57.5166 31.4816 172.5220 6 M 2.6462 7.1703 117.7981 55.5273 30.3869 176.4739 7 W 4.7337 7.5991 125.3757 56.1600 32.5161 175.2946 8 T 3.5192 7.7276 121.2623 64.4522 68.1063 173.9370 9 C 4.4478 7.8579 123.9130 56.3069 41.7015 172.8455 10 D 4.3377 8.1369 119.9231 53.6573 43.5902 174.0334 11 E 4.0129 9.0490 118.3506 59.0846 29.2533 177.4630 12 E 4.5431 7.9956 121.0664 54.1736 30.7107 174.2234 13 R 5.1847 8.2622 121.5655 53.7775 33.6005 177.8703 14 K 4.4658 8.8412 120.1178 55.7455 31.2614 177.5890 15 C 4.2207 9.4345 129.7484 57.0641 38.7687 173.5158 16 C 4.9502 8.7976 119.8170 56.0174 40.4965 174.5973 17 E 3.8622 8.8370 119.9227 59.0001 29.3484 177.4144 18 G 4.1011 7.3597 108.2974 44.6120 0.0000 173.7013 19 L 4.8457 7.4388 116.8636 53.1916 46.1151 177.2301 20 V 4.0589 8.2101 123.4352 61.4915 33.5989 174.0909 21 C 4.8859 8.1759 121.5680 55.5272 45.1770 173.8660 22 R 4.0196 8.6470 121.0096 56.4956 31.6534 173.5868 23 L 3.6768 8.5144 126.9822 54.0078 39.9936 174.4178 24 W 5.2368 6.5971 113.1576 54.7676 31.3216 174.2282 25 C 4.4686 8.3669 119.4446 57.1984 39.1397 173.0758 26 K 5.4295 8.7150 122.4723 54.6177 35.2759 177.5125 27 R 4.5611 9.0624 122.5959 56.3021 31.0965 175.5898 28 I 4.7166 7.9003 110.3224 60.3177 40.2893 174.0116 29 I 4.7473 8.0491 122.4888 60.1604 41.2430 174.3598 30 N 4.7418 8.6768 118.5577 54.7717 40.1539 175.2698 31 M 4.2153 7.9194 120.9644 55.4980 32.2009 175.9044 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 Y 8.00 4.66 0.00 3.07 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 2 C 8.23 5.03 0.00 3.03 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 3 Q 9.07 4.07 0.00 1.81 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.23 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 4 K 8.20 5.17 0.00 1.83 1.92 0.00 1.98 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.18 7.81 5 W 7.77 3.54 0.00 3.55 3.26 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 6 M 7.17 2.65 0.00 1.23 0.57 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.57 0.00 7 W 7.60 4.73 0.00 3.49 2.97 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 0.00 0.00 0.00 8 T 7.73 3.52 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 0.93 0.00 0.00 9 C 7.86 4.45 0.00 2.73 2.84 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 D 8.14 4.34 0.00 2.49 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 9.05 4.01 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 12 E 8.00 4.54 0.00 1.90 1.84 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 2.08 2.11 0.00 13 R 8.26 5.18 0.00 2.36 1.98 0.00 3.12 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.19 0.00 14 K 8.84 4.47 0.00 1.31 1.01 0.00 1.87 0.00 0.00 1.31 0.00 0.00 2.74 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.10 1.00 7.81 15 C 9.43 4.22 0.00 3.43 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.80 4.95 0.00 3.07 3.05 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 17 E 8.84 3.86 0.00 2.08 2.09 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 2.28 2.34 0.00 18 G 7.36 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.44 4.85 0.00 1.74 1.70 1.17 1.28 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 20 V 8.21 4.06 2.12 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 0.93 0.00 0.00 0.94 0.00 0.00 21 C 8.18 4.89 0.00 2.99 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 22 R 8.65 4.02 0.00 1.64 1.59 0.00 3.32 0.00 0.00 3.17 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.46 0.00 23 L 8.51 3.68 0.00 0.32 0.57 0.25 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 24 W 6.60 5.24 0.00 2.93 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 25 C 8.37 4.47 0.00 3.04 3.24 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 0.00 26 K 8.71 5.43 0.00 1.80 1.88 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.71 1.89 7.81 27 R 9.06 4.56 0.00 1.85 1.92 0.00 3.69 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.56 0.00 28 I 7.90 4.72 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.78 0.97 0.00 0.00 29 I 8.05 4.75 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.49 0.95 0.00 0.00 30 N 8.68 4.74 0.00 2.69 2.85 0.00 0.00 6.97 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 M 7.92 4.22 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.53 0.00