NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.4415 8.3031 120.1507 57.2116 32.9842 173.1594 4 G 3.7453 8.1015 110.8982 45.4168 0.0000 171.0754 5 T 4.2721 7.6067 117.1060 61.9269 69.1268 172.5455 6 S 4.4220 8.2226 115.7619 57.5600 63.8682 173.9498 7 S 3.7176 8.4611 115.9029 59.3533 60.4454 174.1170 8 F 4.5572 8.0180 130.4490 57.9015 40.0955 173.7672 9 G 4.3342 9.7893 117.2277 45.6965 0.0000 174.5472 10 K 4.4388 8.4311 117.6426 55.6550 32.8525 175.0561 11 R 4.1484 8.2726 121.6457 56.8193 35.9406 173.7547 12 R 4.1527 8.5370 117.7520 55.9339 31.1495 175.6609 13 N 5.0376 8.4060 120.3217 51.7862 42.3074 173.1044 14 K 4.7491 8.4283 121.9498 55.1829 34.9835 175.9189 15 T 4.1043 7.8560 122.1672 62.4228 70.5355 174.0259 16 H 4.6434 8.8780 126.7423 57.5809 29.3461 174.7892 17 T 4.8437 9.7683 113.0356 60.1772 72.9324 172.0431 18 L 5.1315 8.2517 122.9669 52.9717 44.7628 175.6619 19 C 4.1697 8.7915 124.9377 59.0852 32.4611 174.6655 20 R 3.9294 8.5562 120.8728 59.1071 29.3074 177.8733 21 R 4.3105 7.3432 120.1500 52.8977 28.7007 173.3671 22 C 4.4765 7.8428 123.3962 56.6666 36.2884 174.6815 23 G 4.1357 6.6048 114.9091 45.7521 0.0000 174.8560 24 S 4.8637 7.4195 121.7030 58.3148 61.0261 174.8640 25 K 4.7739 8.5946 115.0912 55.8906 33.6572 176.4502 26 A 4.7348 8.2779 122.6172 50.0901 18.7855 173.9449 27 Y 4.5646 9.2192 119.9534 55.5667 42.3665 173.8798 28 H 4.6903 8.3260 129.1352 54.1496 29.0413 171.4025 29 L 4.0051 8.4414 119.0341 56.6479 41.7138 177.3330 30 Q 5.3049 8.5061 134.4836 57.3393 30.3823 174.7451 31 K 4.3306 7.8274 116.1493 56.6181 34.3876 176.8097 32 S 4.6653 8.0740 110.7755 57.1531 62.6866 174.4737 33 T 4.5964 6.9753 112.6196 61.0268 70.4903 172.6527 34 C 5.0075 8.8187 127.5115 59.0933 29.0321 175.0599 35 G 3.5364 8.7982 113.6804 48.7421 0.0000 174.8463 36 K 4.0731 7.8630 120.3922 59.2673 32.9141 177.4495 37 C 4.2757 8.1087 118.5527 62.1077 32.0779 174.5693 38 G 4.1790 8.0867 107.9529 46.1202 0.0000 173.6684 39 Y 4.3264 8.0258 116.5997 57.1399 38.4903 174.7372 40 P 4.6022 0.0000 0.0000 64.0669 31.9596 177.6689 41 A 4.1448 8.1068 122.2550 54.6650 18.8069 177.1464 42 K 3.9860 6.6859 112.9717 56.0541 35.7799 174.8576 43 R 4.6175 8.5023 122.2975 56.0263 30.7172 176.9524 44 K 4.2490 8.6694 119.8788 57.7471 32.8824 175.9630 45 R 4.4565 8.9194 124.4492 55.0896 30.8737 175.5403 46 K 4.7140 7.9418 124.0825 55.8509 35.6159 174.8916 47 Y 4.6900 8.2896 118.0880 55.9588 41.9704 175.2473 48 N 4.4779 8.9436 120.7764 56.5764 38.3097 175.7476 49 W 4.6051 8.0136 116.9564 57.4676 29.7897 175.7473 50 S 4.0566 8.9730 112.2832 59.5888 59.5847 171.4862 51 A 4.8615 7.4372 121.2845 49.7908 22.1793 177.0609 52 K 4.0740 8.5078 118.6658 56.4821 32.7450 177.5535 53 A 4.2209 8.4916 124.2623 52.5431 18.4847 177.3451 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 K 8.30 4.44 0.00 1.85 1.86 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.50 7.81 4 G 8.10 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.61 4.27 4.11 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 0.00 0.00 1.11 0.00 0.00 6 S 8.22 4.42 0.00 3.82 3.71 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 7 S 8.46 3.72 0.00 3.97 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.02 4.56 0.00 3.01 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 9 G 9.79 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 0.00 0.00 0.00 0.00 10 K 8.43 4.44 0.00 1.72 0.88 0.00 1.86 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.34 1.34 7.81 11 R 8.27 4.15 0.00 1.74 1.65 0.00 3.33 0.00 0.00 3.21 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.60 0.00 12 R 8.54 4.15 0.00 1.85 1.87 0.00 3.22 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 13 N 8.41 5.04 0.00 2.62 2.62 0.00 0.00 7.13 6.68 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 14 K 8.43 4.75 0.00 1.76 1.69 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.43 7.81 15 T 7.86 4.10 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 16 H 8.88 4.64 0.00 3.10 3.60 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.77 4.84 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 1.28 0.00 0.00 18 L 8.25 5.13 0.00 1.67 1.72 1.18 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.79 4.17 0.00 3.37 2.95 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 20 R 8.56 3.93 0.00 1.91 1.99 0.00 3.17 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 21 R 7.34 4.31 0.00 1.60 1.68 0.00 2.77 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 22 C 7.84 4.48 0.00 3.17 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.60 4.14 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 0.00 0.00 0.00 24 S 7.42 4.86 0.00 3.88 3.50 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 25 K 8.59 4.77 0.00 1.63 1.76 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.53 7.81 26 A 8.28 4.73 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 27 Y 9.22 4.56 0.00 3.12 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 28 H 8.33 4.69 0.00 2.99 3.02 0.00 5.74 0.00 0.00 0.00 0.00 6.81 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 4.01 0.00 1.62 1.74 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.51 5.30 0.00 2.14 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.94 0.00 0.00 0.00 0.00 0.00 2.21 2.11 0.00 31 K 7.83 4.33 0.00 1.98 1.88 0.00 1.04 0.00 0.00 1.61 0.00 0.00 3.10 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.31 1.61 7.81 32 S 8.07 4.67 0.00 4.10 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 33 T 6.98 4.60 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 34 C 8.82 5.01 0.00 3.17 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 35 G 8.80 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 36 K 7.86 4.07 0.00 1.77 1.88 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.48 7.81 37 C 8.11 4.28 0.00 3.11 3.08 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 0.00 0.00 0.00 0.00 38 G 8.09 4.18 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 0.00 0.00 0.00 39 Y 8.03 4.33 0.00 3.17 3.02 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 40 P 0.00 4.60 0.00 2.20 2.22 0.00 3.82 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 41 A 8.11 4.14 1.27 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 0.00 0.00 0.00 42 K 6.69 3.99 0.00 1.48 1.47 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.20 1.23 7.81 43 R 8.50 4.62 0.00 1.73 1.77 0.00 3.08 0.00 0.00 3.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 44 K 8.67 4.25 0.00 1.89 1.99 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.47 7.81 45 R 8.92 4.46 0.00 1.81 2.05 0.00 3.35 0.00 0.00 3.68 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.77 0.00 46 K 7.94 4.71 0.00 1.69 1.65 0.00 1.59 0.00 0.00 1.47 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.16 1.34 7.81 47 Y 8.29 4.69 0.00 3.01 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.94 4.48 0.00 2.71 2.93 0.00 0.00 7.06 7.95 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 49 W 8.01 4.61 0.00 3.41 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.97 4.06 0.00 4.20 4.07 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 51 A 7.44 4.86 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 52 K 8.51 4.07 0.00 1.76 1.78 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.52 7.81 53 A 8.49 4.22 1.24 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 0.00 0.00 0.00 0.00 0.00 0.00