NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.6208 8.1293 118.3884 57.3256 38.9760 174.5336 2 P 4.2103 0.0000 0.0000 64.2515 32.0769 174.8625 3 S 4.1236 7.8516 114.7508 57.8255 63.6718 175.0517 4 K 4.7385 8.1648 124.4822 54.0878 35.6174 174.0426 5 P 4.3350 0.0000 0.0000 62.7227 31.9531 175.8328 6 D 4.4771 8.3528 119.8740 52.9629 42.3881 174.5250 7 N 4.8360 8.2632 125.5576 51.6103 39.7845 172.1238 8 P 4.3317 0.0000 0.0000 64.6622 32.8721 178.2617 9 G 3.8693 7.8928 106.7583 46.0393 0.0000 175.7944 10 E 4.3201 8.2120 117.9312 53.3596 28.1453 176.7547 11 D 4.3655 7.3863 110.9142 53.1376 43.1533 175.0684 12 A 4.1268 7.9701 129.4093 51.1881 19.0771 175.1588 13 P 4.3471 0.0000 0.0000 63.8022 32.2278 176.2531 14 A 3.7107 8.6604 121.9316 53.3786 15.9516 178.9406 15 E 3.9239 7.8236 121.2746 60.9215 29.5270 178.6657 16 D 4.1908 7.8858 117.5510 56.9982 41.5539 177.7223 17 L 3.7218 7.7989 119.6454 59.0449 40.3637 178.9582 18 A 4.1858 8.5817 121.4629 54.3280 18.0660 179.7005 19 R 3.8742 7.8543 118.1761 59.8432 30.2573 178.2535 20 Y 4.5156 7.1916 115.5080 60.6666 37.7545 177.8138 21 Y 3.9521 7.6720 120.0907 60.5438 38.9112 177.7589 22 S 4.2004 8.1412 115.7346 61.8433 63.1616 176.7017 23 A 4.1705 8.1303 122.7371 55.1706 18.1747 179.4940 24 L 4.0431 8.1360 117.6496 57.7385 41.5380 179.6535 25 R 3.9243 8.6920 119.0410 59.7936 30.1390 177.7146 26 H 4.1510 8.3707 117.9695 60.6086 29.6779 175.8038 27 Y 3.9727 8.2841 118.4099 59.8323 37.6047 177.8251 28 I 3.2892 8.8491 122.3681 64.8435 37.6894 178.0906 29 N 4.2916 9.0621 119.0533 56.6180 38.7595 176.9882 30 L 3.9709 7.9880 121.2730 58.7822 40.6600 178.6991 31 I 3.7248 8.5969 120.9094 64.1024 37.7945 177.9678 32 T 3.9998 7.9584 110.0696 64.6683 68.4846 176.3917 33 R 3.8790 7.4931 120.6128 59.5584 30.1046 177.9028 34 Q 4.1483 7.6003 115.9479 59.2338 29.0490 177.7337 35 R 3.8635 8.0770 118.5154 60.0905 30.1308 175.8585 36 Y 4.0223 8.5974 121.2508 58.1981 37.9908 175.6202 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 8.13 4.62 0.00 2.96 2.90 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 0.00 0.00 0.00 2 P 0.00 4.21 0.00 2.31 2.16 0.00 4.13 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 3 S 7.85 4.12 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.74 0.00 1.84 1.72 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.41 7.81 5 P 0.00 4.34 0.00 2.19 2.08 0.00 3.71 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 6 D 8.35 4.48 0.00 2.57 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 4.84 0.00 2.64 2.65 0.00 0.00 7.26 7.68 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 8 P 0.00 4.33 0.00 2.21 2.15 0.00 3.86 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 9 G 7.89 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 0.00 0.00 0.00 10 E 8.21 4.32 0.00 1.95 1.92 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 2.23 2.21 0.00 11 D 7.39 4.37 0.00 2.54 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 4.13 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 13 P 0.00 4.35 0.00 2.19 2.06 0.00 3.86 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 14 A 8.66 3.71 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.82 3.92 0.00 2.09 1.99 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 2.30 2.59 0.00 16 D 7.89 4.19 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 3.72 0.00 2.03 1.93 1.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.58 4.19 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 19 R 7.85 3.87 0.00 1.69 1.53 0.00 3.06 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 20 Y 7.19 4.52 0.00 3.15 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.67 3.95 0.00 3.14 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.14 4.20 0.00 4.11 3.97 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 23 A 8.13 4.17 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.04 0.00 1.93 1.63 0.69 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.69 3.92 0.00 1.98 2.32 0.00 3.18 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 26 H 8.37 4.15 0.00 3.32 3.47 0.00 5.84 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 27 Y 8.28 3.97 0.00 3.38 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 28 I 8.85 3.29 1.98 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 1.41 1.13 0.89 0.00 0.00 29 N 9.06 4.29 0.00 2.83 3.02 0.00 0.00 6.88 6.56 0.00 0.00 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 L 7.99 3.97 0.00 1.88 1.78 0.89 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.60 3.72 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 1.01 0.00 0.00 32 T 7.96 4.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 33 R 7.49 3.88 0.00 1.94 2.05 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 34 Q 7.60 4.15 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 35 R 8.08 3.86 0.00 2.06 2.09 0.00 3.33 0.00 0.00 3.36 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.75 0.00 36 Y 8.60 4.02 0.00 3.08 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00