NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1061 8.2601 123.5710 51.3989 19.9102 175.9386 2 A 3.9357 8.1599 122.2679 50.1010 18.8685 174.7618 3 P 4.3954 0.0000 0.0000 63.0475 32.3318 174.5965 4 C 4.1144 7.5772 120.5336 56.3203 43.9490 173.5098 5 F 4.8435 7.7776 125.5566 57.5200 39.5092 174.7049 6 C 4.9851 8.5276 119.6901 55.0171 42.8969 173.2174 7 S 4.6129 8.2921 115.5962 60.3497 62.5872 172.8249 8 G 4.0016 9.1168 114.1019 44.6713 0.0000 172.5710 9 K 4.5304 7.4951 119.7669 53.6312 33.3707 175.1092 10 P 4.8057 0.0000 0.0000 63.0396 33.9318 176.9206 11 G 3.9154 10.9361 113.3446 46.5158 0.0000 175.1935 12 R 4.6353 8.0421 112.0846 56.2698 33.0343 174.9769 13 G 4.2202 9.2202 106.7234 44.8334 0.0000 171.1542 14 D 4.7648 8.5243 119.9908 53.7153 41.9484 176.1441 15 L 4.6258 8.5730 126.4909 54.6482 42.5442 176.1339 16 W 4.3759 9.4270 127.2550 55.9449 31.2629 176.4291 17 I 4.4578 8.0569 123.9113 60.6567 39.7706 176.4867 18 L 4.8750 8.3822 118.8062 55.9850 37.8079 175.1895 19 R 4.7716 7.8716 123.5820 55.0322 33.1897 176.5561 20 G 3.9861 8.9899 111.3327 47.7738 0.0000 173.5065 21 T 4.8871 7.4976 107.8429 60.0287 71.8655 173.8357 22 C 4.0656 8.4719 122.5584 54.3883 44.7407 171.5546 23 P 4.3508 0.0000 0.0000 63.1932 31.0532 176.7082 24 G 3.8118 8.6947 108.9758 46.7541 0.0000 174.4162 25 G 3.9499 7.9702 107.2390 46.2303 0.0000 174.7420 26 Y 3.7803 8.2607 117.6895 61.7448 38.1202 175.4261 27 G 3.3621 8.0976 110.1121 45.1613 0.0000 172.5747 28 Y 4.7822 7.2147 119.2392 58.7112 38.6818 174.4682 29 T 4.7522 8.3624 108.7551 62.3948 75.9588 174.1474 30 S 4.9181 8.1138 117.9307 56.8034 64.7675 173.1836 31 N 5.4580 8.7108 120.5594 51.5908 40.2916 172.3167 32 C 5.3229 8.6761 113.7887 53.9021 45.3026 172.5728 33 Y 4.7241 8.6488 117.5510 56.5139 41.0447 176.7097 34 K 4.7206 8.6238 123.2216 53.9287 33.2574 175.5586 35 W 4.8875 8.3274 130.3580 57.0663 31.8236 173.2738 36 P 3.5903 0.0000 0.0000 62.8394 31.2968 174.9142 37 N 5.3761 8.0348 117.4149 53.4591 43.1934 173.4530 38 I 4.6733 8.7002 117.5690 61.1735 42.1857 174.0191 39 C 5.7119 8.5639 124.2279 55.4771 38.7481 172.1009 40 C 5.0286 9.2789 121.1295 54.9631 44.8251 172.4223 41 Y 5.0206 8.5682 122.3124 55.1369 41.4648 173.5380 42 P 4.5934 0.0000 0.0000 62.7653 32.5293 176.1240 43 H 4.3498 7.6457 113.4486 55.6537 28.4522 173.6343 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 A 8.26 4.11 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 3.94 1.25 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 3 P 0.00 4.40 0.00 1.94 2.13 0.00 3.56 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 4 C 7.58 4.11 0.00 2.82 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 5 F 7.78 4.84 0.00 3.09 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.53 4.99 0.00 2.38 2.61 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 7 S 8.29 4.61 0.00 3.96 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 8 G 9.12 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.50 4.53 0.00 1.48 1.94 0.00 1.24 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.28 7.81 10 P 0.00 4.81 0.00 2.26 2.15 0.00 3.68 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 11 G 10.94 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 4.64 0.00 1.59 1.70 0.00 2.51 0.00 0.00 3.85 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 0.00 13 G 9.22 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.52 4.76 0.00 2.99 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.57 4.63 0.00 1.58 1.50 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 16 W 9.43 4.38 0.00 3.25 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.06 4.46 1.88 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 1.32 1.24 0.89 0.00 0.00 18 L 8.38 4.87 0.00 1.54 1.32 0.88 0.47 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 19 R 7.87 4.77 0.00 1.95 2.11 0.00 3.52 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 20 G 8.99 3.99 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 0.00 0.00 0.00 21 T 7.50 4.89 4.26 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 1.19 0.00 0.00 22 C 8.47 4.07 0.00 2.71 2.86 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 23 P 0.00 4.35 0.00 2.25 2.01 0.00 2.70 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.44 0.00 24 G 8.69 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.97 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 0.00 0.00 0.00 26 Y 8.26 3.78 0.00 2.91 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.21 4.78 0.00 2.98 2.87 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 29 T 8.36 4.75 4.31 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 1.27 0.00 0.00 30 S 8.11 4.92 0.00 4.03 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.71 5.46 0.00 2.20 2.44 0.00 0.00 5.89 7.79 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 32 C 8.68 5.32 0.00 3.02 3.12 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 0.00 0.00 0.00 0.00 33 Y 8.65 4.72 0.00 2.90 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 34 K 8.62 4.72 0.00 1.79 1.74 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 35 W 8.33 4.89 0.00 3.19 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 36 P 0.00 3.59 0.00 1.83 1.46 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.82 0.00 37 N 8.03 5.38 0.00 2.61 2.93 0.00 0.00 6.29 6.38 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 38 I 8.70 4.67 1.75 0.00 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.31 1.09 0.00 0.00 39 C 8.56 5.71 0.00 2.87 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 40 C 9.28 5.03 0.00 2.46 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 0.00 0.00 0.00 41 Y 8.57 5.02 0.00 2.85 2.86 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 42 P 0.00 4.59 0.00 2.21 2.15 0.00 3.98 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 43 H 7.65 4.35 0.00 2.84 1.99 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00