NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8878 8.3393 109.7362 46.9092 0.0000 172.4820 0 S 4.3648 7.7777 112.8238 55.8865 65.7340 175.5825 1 R 4.0310 8.2085 121.2021 59.9348 30.0537 179.1549 2 M 4.0344 7.9670 117.4711 58.3335 32.2345 177.9656 3 K 4.0803 7.9589 119.4477 59.6300 32.5041 178.6877 4 Q 3.9997 8.1430 118.3468 58.9264 28.5792 178.9188 5 L 3.9380 7.6304 121.2957 58.2317 42.1604 178.7678 6 E 3.9686 8.3427 118.6550 59.5877 29.3861 179.1282 7 D 4.3518 8.4882 119.2213 57.3911 40.8198 179.0740 8 K 4.0144 8.0133 118.7810 59.3380 32.0330 179.6720 9 V 3.5854 8.0036 118.7234 65.7797 31.4245 177.5620 10 E 3.9061 8.3482 119.2591 59.3572 29.3698 178.4929 11 E 3.9202 8.2994 119.1562 59.2194 29.7351 178.5445 12 L 3.9952 8.2605 119.4231 58.0291 41.7165 179.6578 13 L 4.0343 8.0066 118.6891 57.6393 41.5556 179.4173 14 S 4.0871 8.2251 113.1116 61.4806 62.3357 176.3417 15 K 4.0185 8.3777 121.4241 59.4427 31.7097 178.7572 16 N 4.2826 8.2857 117.1973 56.9540 38.9433 176.0983 17 Y 4.0760 8.0439 120.8525 61.0677 38.7676 177.6627 18 H 4.1350 8.5217 118.9968 59.3819 29.9541 177.3207 19 L 3.8773 8.1815 120.8571 57.4730 41.3648 179.2485 20 E 3.8612 8.3230 118.9520 59.4231 29.4593 178.8292 21 N 4.0869 7.8162 116.8169 56.6229 38.9628 176.6268 22 E 3.8584 8.1096 119.9666 59.5611 29.6276 179.3257 23 I 3.6753 7.9223 118.3237 63.7743 37.8263 177.7634 24 A 3.9762 7.9429 121.9934 55.1967 18.3021 179.8624 25 R 3.8810 7.9930 116.5814 59.2005 30.1193 179.3908 26 I 3.6981 7.8554 119.7432 64.3326 37.0554 178.3640 27 K 3.8819 8.0736 119.3186 59.5334 31.8191 179.2007 28 K 3.8695 7.8458 119.8078 59.5199 31.9098 178.8882 29 L 4.0500 7.6029 117.7712 57.0798 41.6001 178.8831 30 V 4.2590 7.4631 108.9398 60.0524 32.0331 176.1424 31 G 3.8604 7.6260 106.2652 46.5003 0.0000 173.7478 32 E 4.2018 8.7631 126.5498 55.8173 29.6258 175.3885 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 8.34 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 0 S 7.78 4.36 0.00 4.08 3.94 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 1 R 8.21 4.03 0.00 1.90 1.97 0.00 3.18 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 2 M 7.97 4.03 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 3 K 7.96 4.08 0.00 1.93 2.03 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.30 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 4 Q 8.14 4.00 0.00 2.34 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 5 L 7.63 3.94 0.00 1.85 1.88 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.34 3.97 0.00 2.20 1.98 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 2.33 2.57 0.00 7 D 8.49 4.35 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.01 4.01 0.00 1.98 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.44 7.81 9 V 8.00 3.59 2.08 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 0.99 0.00 0.00 0.98 0.00 0.00 10 E 8.35 3.91 0.00 2.17 2.10 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 2.30 2.31 0.00 11 E 8.30 3.92 0.00 2.18 2.11 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 2.31 2.36 0.00 12 L 8.26 4.00 0.00 1.97 1.73 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.01 4.03 0.00 1.84 1.72 0.95 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.23 4.09 0.00 3.89 4.05 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 15 K 8.38 4.02 0.00 1.99 1.89 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.69 7.81 16 N 8.29 4.28 0.00 2.88 3.03 0.00 0.00 6.87 6.87 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 17 Y 8.04 4.08 0.00 3.12 3.15 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 0.00 0.00 0.00 0.00 18 H 8.52 4.13 0.00 3.30 3.50 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.18 3.88 0.00 1.85 1.66 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.32 3.86 0.00 2.02 1.89 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 2.30 2.52 0.00 21 N 7.82 4.09 0.00 2.52 2.78 0.00 0.00 7.29 6.93 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 22 E 8.11 3.86 0.00 2.04 1.90 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 2.15 2.28 0.00 23 I 7.92 3.68 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.20 0.91 0.00 0.00 24 A 7.94 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.99 3.88 0.00 1.94 1.96 0.00 3.26 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.78 0.00 26 I 7.86 3.70 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 0.89 0.00 0.00 27 K 8.07 3.88 0.00 1.95 1.86 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 28 K 7.85 3.87 0.00 1.76 1.92 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 29 L 7.60 4.05 0.00 1.86 1.71 0.91 0.77 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 30 V 7.46 4.26 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.02 0.00 0.00 31 G 7.63 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.76 4.20 0.00 1.85 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00