NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.6296 8.4401 117.8400 54.4237 30.9630 173.8805 4 A 4.5167 7.1253 129.7325 51.6964 20.1024 175.1298 5 D 4.7791 7.6333 124.4941 50.1616 44.0351 172.2871 6 P 4.3324 0.0000 0.0000 65.6232 31.7266 178.4176 7 I 3.8642 8.1827 119.4758 63.3565 37.3422 175.6221 8 C 4.3418 7.6196 117.2912 58.6171 40.3528 173.6312 9 N 4.1488 9.1227 120.1323 53.4821 36.6032 174.2176 10 K 4.3426 7.7125 121.1251 54.9706 33.6910 174.3174 11 P 4.7864 0.0000 0.0000 63.3010 31.6869 176.0776 12 C 4.9580 8.3680 124.5554 55.1354 45.8828 172.5833 13 K 4.2530 8.2758 118.5321 57.1605 37.5550 174.3956 14 T 4.8318 7.3131 111.7601 62.1762 72.4783 174.0128 15 H 4.5644 8.7829 118.1066 57.4371 29.4338 176.4492 16 D 4.5147 7.9874 119.3809 56.8028 41.4401 177.0738 17 D 4.7054 7.7240 114.5156 55.0959 41.0061 176.4337 18 C 4.8024 7.3356 117.0442 59.6851 38.7639 174.8885 19 S 3.1736 5.8866 111.8301 58.1313 64.2583 175.1918 20 G 4.2502 7.3216 119.4883 45.9735 0.0000 171.9745 21 A 4.4925 8.0617 128.6020 50.4458 19.5197 179.0925 22 W 3.7010 8.3006 115.6778 58.1483 28.9123 174.3003 23 F 4.0119 11.2565 118.2824 58.8829 39.5292 174.7014 24 C 4.4715 6.4921 126.4823 57.1218 38.7218 173.0612 25 Q 4.5520 7.9172 118.9096 54.8461 30.8817 174.4489 26 A 4.3971 7.7500 122.1456 49.9566 21.6169 175.6176 27 C 4.6330 8.0558 121.6423 55.8252 40.0005 172.7593 28 W 4.8228 8.2780 125.6247 54.6084 30.3690 176.7006 29 N 4.9530 8.5307 126.5738 52.8272 38.0333 176.0513 30 S 4.5797 7.4338 107.0720 58.4936 65.0359 175.2319 31 A 4.5753 8.1671 119.9966 52.4348 20.5365 176.1372 32 R 4.6200 7.3592 121.7477 56.8192 30.1392 175.4249 33 T 4.9613 7.6332 116.1576 61.4271 73.4664 174.3838 34 C 4.2361 9.1732 124.4941 57.9016 41.9372 173.4834 35 G 3.4736 8.0456 109.5998 43.6827 0.0000 169.7143 36 P 4.8883 0.0000 0.0000 60.6591 33.1801 175.1068 37 Y 4.2900 8.1709 117.8221 57.6444 38.5643 176.4735 38 V 4.0167 8.4321 116.8908 61.5406 31.8906 175.8173 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 3 H 8.44 4.63 0.00 3.20 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.13 4.52 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.63 4.78 0.00 2.33 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.24 2.21 0.00 3.96 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 7 I 8.18 3.86 1.82 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.17 0.84 0.00 0.00 8 C 7.62 4.34 0.00 3.09 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 9 N 9.12 4.15 0.00 2.76 2.89 0.00 0.00 6.93 5.12 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 10 K 7.71 4.34 0.00 1.86 1.86 0.00 1.50 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.38 7.81 11 P 0.00 4.79 0.00 2.09 2.03 0.00 3.75 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 12 C 8.37 4.96 0.00 2.98 2.93 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 0.00 0.00 0.00 0.00 13 K 8.28 4.25 0.00 1.71 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.44 7.81 14 T 7.31 4.83 4.35 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 1.24 0.00 0.00 15 H 8.78 4.56 0.00 3.15 3.43 0.00 5.71 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.99 4.51 0.00 2.71 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.72 4.71 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 18 C 7.34 4.80 0.00 3.15 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 19 S 5.89 3.17 0.00 3.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.32 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 4.49 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 22 W 8.30 3.70 0.00 3.72 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 23 F 11.26 4.01 0.00 1.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 C 6.49 4.47 0.00 2.82 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.92 4.55 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 26 A 7.75 4.40 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.06 4.63 0.00 3.09 2.93 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 0.00 0.00 0.00 0.00 28 W 8.28 4.82 0.00 3.01 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 29 N 8.53 4.95 0.00 2.72 2.84 0.00 0.00 7.02 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 30 S 7.43 4.58 0.00 3.93 3.87 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 0.00 0.00 0.00 0.00 31 A 8.17 4.58 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 32 R 7.36 4.62 0.00 1.75 1.94 0.00 3.53 0.00 0.00 3.32 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.52 0.00 33 T 7.63 4.96 4.33 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 0.95 0.00 0.00 34 C 9.17 4.24 0.00 2.88 3.07 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 0.00 0.00 0.00 0.00 35 G 8.05 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.89 0.00 1.44 0.77 0.00 3.10 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 1.59 0.87 0.00 37 Y 8.17 4.29 0.00 3.01 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 38 V 8.43 4.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.68 0.00 0.00