NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4293 8.3044 120.6142 55.2875 33.7599 174.1541 2 K 4.2301 8.4440 127.7160 53.8617 34.3612 169.8781 3 V 5.0833 9.1200 130.2684 61.4994 32.3030 174.5686 4 R 4.7463 8.4015 126.1853 54.5099 33.7853 176.6251 5 S 4.1785 8.7614 114.3428 59.4191 62.9363 173.8816 6 S 4.5005 7.8093 114.4641 56.3478 61.4982 171.9187 7 V 4.1892 7.8553 126.1048 61.0203 32.5600 175.1759 8 K 4.4176 8.1868 123.8164 55.5246 34.7169 174.8947 9 K 4.0237 8.4926 119.7888 57.4785 32.3818 176.6443 10 M 4.7365 8.0724 115.7386 55.5258 35.0709 174.8627 11 C 4.6114 7.4875 110.3534 58.3432 31.9838 172.6394 12 D 4.8751 8.5380 115.9433 54.4919 40.4417 176.2038 13 N 5.0028 7.9131 113.6666 54.5116 45.3885 175.2365 14 C 3.8520 8.2532 116.0133 60.5262 28.7603 174.6885 15 K 4.3055 9.6582 126.4928 54.0657 31.9838 174.3712 16 V 4.6438 8.1006 123.0452 62.7928 30.3923 175.1967 17 V 3.9407 8.0218 127.1701 62.3334 33.5966 175.1904 18 R 5.6942 7.8672 120.0472 54.9350 30.7202 177.2632 19 R 4.1427 7.8620 124.8247 55.4944 31.5692 174.8041 20 H 4.0143 9.3862 123.2638 58.3728 29.7583 176.9220 21 G 3.8371 8.5188 119.5344 45.6855 0.0000 172.7048 22 R 4.4884 7.6389 120.1578 54.6577 33.5622 173.1993 23 V 4.4960 8.3371 124.4543 61.8982 33.3773 174.4473 24 L 5.0929 8.6752 128.7235 52.9606 46.2101 175.3681 25 V 4.3485 8.3523 119.0467 62.0397 34.3396 174.3523 26 I 4.7345 8.2750 123.0160 59.3351 39.3772 174.3561 27 C 4.9490 8.5411 126.4733 57.1248 34.4127 173.5996 28 S 4.2432 9.0741 118.9261 61.4364 62.2515 174.8897 29 N 4.4926 7.9366 119.3607 53.0149 39.5326 175.6553 30 V 3.6330 8.2008 117.0904 63.2327 32.3740 178.4155 31 K 4.1476 8.8381 118.9603 58.6928 31.8434 177.2348 32 H 4.6960 7.5827 114.2095 55.8363 29.2395 175.7343 33 K 4.8476 8.1203 120.3981 56.7900 31.4275 176.4187 34 Q 4.7193 8.2353 124.0802 54.8624 31.8275 174.5470 35 R 4.5933 8.0536 117.0793 55.8927 33.5176 175.6261 36 Q 4.8698 8.2397 125.7687 57.5927 29.5822 176.7337 37 G 3.7013 7.8268 111.5422 45.5775 0.0000 172.1892 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 4.43 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 2 K 8.44 4.23 0.00 1.85 1.65 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.45 7.81 3 V 9.12 5.08 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 1.01 0.00 0.00 0.93 0.00 0.00 4 R 8.40 4.75 0.00 1.75 1.76 0.00 3.17 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 5 S 8.76 4.18 0.00 3.82 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 6 S 7.81 4.50 0.00 3.84 3.76 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 7 V 7.86 4.19 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 0.89 0.00 0.00 0.94 0.00 0.00 8 K 8.19 4.42 0.00 1.84 1.70 0.00 1.64 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.28 1.41 7.81 9 K 8.49 4.02 0.00 1.73 1.81 0.00 1.57 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.54 7.81 10 M 8.07 4.74 0.00 1.49 1.45 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 11 C 7.49 4.61 0.00 3.06 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 4.88 0.00 2.67 2.71 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 13 N 7.91 5.00 0.00 2.58 2.80 0.00 0.00 7.18 7.66 0.00 0.00 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 8.25 3.85 0.00 2.84 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 15 K 9.66 4.31 0.00 1.64 1.74 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.56 7.81 16 V 8.10 4.64 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 1.11 0.00 0.00 0.93 0.00 0.00 17 V 8.02 3.94 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 0.99 0.00 0.00 0.97 0.00 0.00 18 R 7.87 5.69 0.00 1.67 1.79 0.00 3.65 0.00 0.00 3.88 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 19 R 7.86 4.14 0.00 1.89 1.86 0.00 3.17 0.00 0.00 3.27 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.62 0.00 20 H 9.39 4.01 0.00 3.05 3.32 0.00 5.99 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 21 G 8.52 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 4.49 0.00 1.93 1.71 0.00 3.20 0.00 0.00 3.08 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 23 V 8.34 4.50 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 0.93 0.00 0.00 0.92 0.00 0.00 24 L 8.68 5.09 0.00 1.64 1.56 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.35 4.35 2.23 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 1.06 0.00 0.00 0.93 0.00 0.00 26 I 8.28 4.73 1.88 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 1.30 0.75 0.92 0.00 0.00 27 C 8.54 4.95 0.00 3.00 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 28 S 9.07 4.24 0.00 4.01 4.01 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 29 N 7.94 4.49 0.00 2.63 2.53 0.00 0.00 7.14 7.71 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 30 V 8.20 3.63 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 0.70 0.00 0.00 0.92 0.00 0.00 31 K 8.84 4.15 0.00 1.79 1.89 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.45 7.81 32 H 7.58 4.70 0.00 3.23 3.31 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.12 4.85 0.00 1.85 1.80 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.28 7.81 34 Q 8.24 4.72 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 35 R 8.05 4.59 0.00 1.82 1.71 0.00 3.17 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 36 Q 8.24 4.87 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 2.51 2.15 0.00 37 G 7.83 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00