NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6712 8.3049 118.3348 55.1805 33.8295 173.9173 2 K 4.4549 8.0387 115.5733 54.2176 36.4337 170.5323 3 V 5.1163 9.1046 126.0628 62.9969 33.5058 177.3316 4 R 4.1526 9.1373 124.8649 56.9028 28.4375 175.7580 5 A 4.0530 8.2208 120.7437 55.1082 18.8485 177.6760 6 S 4.1255 7.9723 109.5782 58.5496 62.1591 172.6722 7 V 4.0242 7.8009 126.4543 59.0520 33.7980 178.2770 8 K 3.5310 7.6523 121.0573 56.0826 33.3533 173.9940 9 K 4.5330 8.1857 115.9461 55.6846 34.0450 176.3073 10 L 4.5258 8.0999 118.8852 55.0235 43.2787 175.5283 11 C 4.6557 7.3759 112.3409 57.1889 31.8025 174.4433 12 R 4.1417 8.5778 115.0118 57.6890 28.8432 176.4134 13 N 4.7623 7.9912 116.9449 53.6857 39.0582 173.8922 14 C 4.8562 7.5343 115.0083 58.7849 29.3253 172.0676 15 K 4.1614 7.7780 117.1468 57.2254 33.6937 173.3045 16 I 3.4336 7.9226 129.1972 61.1202 35.4001 173.6812 17 V 4.3903 8.4755 118.0674 59.2053 35.6622 174.6516 18 K 4.1769 8.6882 125.1507 56.8827 32.2812 177.5175 19 R 4.4224 7.5668 130.7660 53.4668 29.0366 173.8173 20 D 5.0289 8.5693 121.9072 53.3071 37.8943 176.7613 21 G 4.0354 8.2096 110.8287 46.4735 0.0000 173.1147 22 V 3.7335 7.7236 113.8050 60.7046 31.1618 175.4393 23 I 4.1441 8.1528 126.7892 61.7772 36.0113 176.2582 24 R 4.6027 8.4600 126.2035 55.1243 32.0631 175.4372 25 V 4.7365 8.4879 120.1264 61.2605 34.2753 174.1505 26 I 4.7030 8.3787 127.6891 59.6172 39.8765 173.7718 27 C 5.0673 8.7263 126.7234 57.7520 33.1484 173.5801 28 S 4.4565 8.2668 119.3747 58.9284 63.2249 174.7365 29 A 4.1133 6.9811 123.7084 52.5703 18.7798 176.6300 30 E 4.6834 7.4092 115.6498 53.6242 32.3366 175.1365 31 P 4.4656 0.0000 0.0000 64.6311 31.9561 179.0502 32 K 4.1555 7.3171 115.1041 59.5743 31.9831 177.9437 33 H 4.4566 8.1111 113.8468 57.0768 29.2734 175.4098 34 K 4.4738 7.6386 121.8060 56.5665 33.1819 175.6323 35 Q 4.9714 8.6554 123.1946 55.0711 32.4575 173.3714 36 R 4.7647 9.1996 121.7007 55.2564 33.6428 172.3866 37 Q 3.8462 9.0147 127.0043 55.7686 29.8723 173.4439 38 G 3.7256 8.8896 110.3721 45.4651 0.0000 173.6504 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 4.67 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 K 8.04 4.45 0.00 1.63 1.67 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.35 1.63 7.81 3 V 9.10 5.12 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 4 R 9.14 4.15 0.00 1.88 2.26 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 5 A 8.22 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.97 4.13 0.00 3.84 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 4.02 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 0.84 0.00 0.00 0.93 0.00 0.00 8 K 7.65 3.53 0.00 1.99 1.91 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.39 7.81 9 K 8.19 4.53 0.00 2.02 1.84 0.00 1.42 0.00 0.00 1.70 0.00 0.00 3.31 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.50 7.81 10 L 8.10 4.53 0.00 1.37 1.55 0.75 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 C 7.38 4.66 0.00 3.08 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 12 R 8.58 4.14 0.00 1.94 2.10 0.00 3.01 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 13 N 7.99 4.76 0.00 2.76 2.77 0.00 0.00 7.16 7.65 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 14 C 7.53 4.86 0.00 2.96 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 15 K 7.78 4.16 0.00 1.69 1.86 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.41 7.81 16 I 7.92 3.43 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.91 0.00 0.00 17 V 8.48 4.39 2.08 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 0.76 0.00 0.00 0.93 0.00 0.00 18 K 8.69 4.18 0.00 1.71 1.75 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.42 7.81 19 R 7.57 4.42 0.00 1.75 1.82 0.00 3.28 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 20 D 8.57 5.03 0.00 2.76 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 21 G 8.21 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.72 3.73 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 23 I 8.15 4.14 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.91 0.00 0.00 24 R 8.46 4.60 0.00 1.78 1.84 0.00 3.06 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 25 V 8.49 4.74 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.98 0.00 0.00 26 I 8.38 4.70 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.36 0.91 0.00 0.00 27 C 8.73 5.07 0.00 2.97 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 S 8.27 4.46 0.00 3.84 3.96 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 29 A 6.98 4.11 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 30 E 7.41 4.68 0.00 1.66 1.78 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 2.15 2.16 0.00 31 P 0.00 4.47 0.00 2.18 2.08 0.00 3.58 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 32 K 7.32 4.16 0.00 1.90 1.93 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.43 7.81 33 H 8.11 4.46 0.00 3.10 3.34 0.00 5.72 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 34 K 7.64 4.47 0.00 1.90 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.58 7.81 35 Q 8.66 4.97 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.41 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 36 R 9.20 4.76 0.00 1.85 1.79 0.00 3.20 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 37 Q 9.01 3.85 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 38 G 8.89 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 0.00 0.00 0.00