NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5030 8.3049 120.3324 55.4988 34.0792 176.0775 2 M 3.8712 8.0179 117.1008 55.0411 32.3479 174.7810 3 G 3.5788 7.8156 112.6553 44.1001 0.0000 172.7385 4 S 4.4577 8.0212 111.8840 58.0028 63.8715 174.2019 5 Y 4.2831 7.0690 118.9966 56.4050 38.3905 175.6134 6 A 3.9325 8.7192 123.5356 53.9013 19.4946 177.3642 7 A 3.8799 8.7481 122.1405 53.2947 16.0350 178.5989 8 S 4.3527 7.8639 113.7875 59.9776 63.6586 175.4631 9 F 4.5210 7.7819 116.2455 58.4647 38.8088 177.4606 10 L 3.8444 7.1343 122.6483 57.6737 41.3778 177.5263 11 P 4.5271 0.0000 0.0000 65.2248 31.0112 178.1314 12 W 4.1647 7.8642 126.7260 60.3338 30.8190 176.9847 13 I 4.2671 7.8775 116.9297 63.1523 38.1595 177.4402 14 F 4.2986 8.6210 118.8469 60.3207 38.5658 177.8186 15 I 3.6468 7.8030 119.8941 63.8188 36.8063 176.6528 16 P 2.9700 0.0000 0.0000 64.8173 30.9863 178.9120 17 V 3.5669 7.6600 117.2630 66.1021 31.2963 178.3490 18 V 3.6519 8.0215 116.9242 65.3876 31.4338 176.9035 19 C 4.5178 8.0233 114.9846 60.1256 29.0599 174.0979 20 W 4.8621 8.1333 118.2106 58.1950 30.5725 177.6250 21 L 4.0004 7.9228 119.2536 58.4835 41.7202 178.4990 22 M 4.0439 8.4303 118.5213 58.3285 32.2566 176.5780 23 P 4.3458 0.0000 0.0000 65.9136 31.5586 178.4390 24 T 3.9987 7.8885 115.5475 66.2097 68.3601 177.1095 25 V 3.6124 8.1021 120.4930 66.2302 31.6131 178.6220 26 V 3.9142 8.2311 112.3460 64.3038 31.3920 178.5886 27 M 4.2722 8.2771 119.1022 58.0359 31.7777 178.8594 28 G 3.7023 8.1939 105.9712 47.9091 0.0000 175.7931 29 L 4.0811 8.4353 122.3351 57.4788 41.6448 179.6325 30 L 4.1368 8.4357 119.3850 57.7044 41.3402 179.3470 31 F 4.2364 8.9168 121.0399 61.3168 39.2697 177.2631 32 L 3.8042 8.0606 118.5696 57.7520 41.2189 178.7125 33 Y 4.1426 8.0142 118.6017 60.7785 38.9626 177.9804 34 I 3.5357 7.9699 111.2951 62.2859 37.9625 176.5323 35 E 4.3653 7.2909 119.1689 55.2670 30.4800 176.3550 36 G 3.5401 7.0504 109.0282 45.3113 0.0000 173.7188 37 E 4.0270 8.4685 123.6887 56.3653 30.6064 176.8067 38 A 3.9933 8.3709 121.5722 52.9198 18.5542 177.6999 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 M 8.30 4.50 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 2 M 8.02 3.87 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.65 0.00 3 G 7.82 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.02 4.46 0.00 3.96 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 5 Y 7.07 4.28 0.00 3.04 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 6 A 8.72 3.93 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.75 3.88 1.20 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 0.00 0.00 8 S 7.86 4.35 0.00 3.51 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 4.52 0.00 3.22 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.13 3.84 0.00 1.76 1.87 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.53 0.00 2.31 2.19 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 12 W 7.86 4.16 0.00 3.31 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 4.27 2.12 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.35 0.80 0.00 0.00 14 F 8.62 4.30 0.00 3.20 3.01 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 0.00 0.00 0.00 15 I 7.80 3.65 1.86 0.00 0.00 0.85 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 0.37 0.57 0.00 0.00 16 P 0.00 2.97 0.00 1.99 1.49 0.00 3.50 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.11 0.00 17 V 7.66 3.57 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 1.17 0.00 0.00 0.87 0.00 0.00 18 V 8.02 3.65 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.02 0.00 0.00 19 C 8.02 4.52 0.00 2.67 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 20 W 8.13 4.86 0.00 3.49 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.00 0.00 1.86 1.88 0.98 0.85 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 22 M 8.43 4.04 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 23 P 0.00 4.35 0.00 2.36 2.34 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 24 T 7.89 4.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 25 V 8.10 3.61 2.24 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 1.06 0.00 0.00 1.00 0.00 0.00 26 V 8.23 3.91 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 0.86 0.00 0.00 0.97 0.00 0.00 27 M 8.28 4.27 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 28 G 8.19 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.44 4.08 0.00 1.71 1.76 0.94 0.63 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 30 L 8.44 4.14 0.00 1.99 1.85 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.92 4.24 0.00 3.20 3.35 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 32 L 8.06 3.80 0.00 1.95 1.72 0.99 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 8.01 4.14 0.00 2.90 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 34 I 7.97 3.54 1.77 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.57 1.03 0.00 0.00 35 E 7.29 4.37 0.00 1.49 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 36 G 7.05 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.47 4.03 0.00 1.93 1.88 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 2.26 2.21 0.00 38 A 8.37 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00