NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.4666 8.1576 120.1373 57.1560 34.8351 173.1332 2 T 4.8736 8.4796 109.5623 60.1222 70.7799 173.0123 3 C 5.1928 9.7085 122.5756 55.1794 44.2662 173.7781 4 E 5.3277 8.7121 121.9629 54.8351 32.5014 173.7079 5 N 5.1771 9.2038 123.8752 51.7332 43.3891 173.2230 6 L 3.8514 7.3190 121.5606 54.0152 42.3590 177.4381 7 A 4.1355 8.5552 126.5240 52.3384 18.8991 177.7409 8 N 4.4518 9.2774 122.0815 56.3629 38.7846 176.5437 9 T 4.3394 8.1871 105.0011 61.4535 69.2662 173.9209 10 Y 4.1001 7.7403 124.5350 56.4211 38.1677 174.0757 11 R 4.1320 9.2912 127.8498 56.9327 30.3280 175.2336 12 G 4.1925 8.2194 110.8310 42.1324 0.0000 170.2118 13 P 4.5411 0.0000 0.0000 62.2039 31.9660 176.5960 14 C 5.3894 8.7465 120.3154 54.2769 45.2703 173.6949 15 F 4.8417 8.6198 122.1956 57.6127 41.4239 175.5619 16 T 4.7953 7.6472 116.2254 61.0203 72.5121 174.8400 17 T 3.9810 8.7893 122.3874 66.7305 68.4260 177.0763 18 G 3.5130 8.1790 107.1160 47.8428 0.0000 175.8017 19 S 4.2160 7.9883 116.8652 61.5377 62.8910 175.8815 20 C 3.9802 7.9625 120.6842 59.6456 41.1003 174.8939 21 D 4.3191 8.8129 120.3006 57.3295 40.8004 177.6731 22 D 4.3144 7.9714 118.3159 57.4475 41.1440 177.6098 23 H 4.0824 8.0527 118.2991 59.7221 29.8710 176.6976 24 C 4.2804 8.5712 118.6137 59.7216 37.7786 176.2428 25 K 4.1964 8.4045 121.9420 58.8187 31.6345 179.0323 26 N 4.1356 8.4545 116.4566 56.1290 39.0447 175.7806 27 K 4.1571 7.6971 119.1210 58.4113 32.8516 176.9345 28 E 4.2762 8.1800 115.1753 56.0251 30.1232 175.5636 29 H 4.6553 7.7172 114.2201 56.1446 26.5422 173.1087 30 L 4.6366 8.0044 119.9564 53.1498 44.8994 177.5625 31 R 4.0635 8.4911 119.6855 59.4016 29.8055 177.8961 32 S 4.8796 7.7572 111.7868 57.3402 68.4051 172.1988 33 G 4.5060 9.1663 107.1540 45.0869 0.0000 172.7198 34 R 4.7670 9.5483 122.7462 54.2972 34.4587 174.0308 35 C 4.9181 8.7004 123.5201 55.6045 45.1859 173.4712 36 R 4.2705 8.2083 126.7091 54.3066 31.5785 177.2738 37 D 3.9223 8.2590 117.7158 57.2508 41.0579 176.4635 38 D 4.5398 7.8055 115.8344 53.1953 39.8441 176.6499 39 F 3.8450 7.9854 117.9893 58.2268 37.2255 174.5187 40 R 4.8637 7.7301 119.0435 54.3008 32.8405 173.8051 41 C 4.7805 8.2967 119.4608 55.7015 43.2868 171.9658 42 W 5.0786 9.2059 126.4219 55.1105 31.8123 173.9306 43 C 5.1524 9.4018 122.8800 56.1491 37.9921 172.9120 44 T 5.1673 8.9968 120.9971 62.4772 70.2354 174.1110 45 R 4.9400 9.3373 121.3907 54.3090 33.3321 174.0993 46 N 5.0636 8.8301 119.3275 53.4787 39.4729 173.9766 47 C 4.5942 9.3497 118.0355 55.6972 42.7009 173.7942 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 K 8.16 4.47 0.00 1.85 2.06 0.00 1.43 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.49 7.81 2 T 8.48 4.87 4.25 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 1.21 0.00 0.00 3 C 9.71 5.19 0.00 2.84 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 4 E 8.71 5.33 0.00 1.97 1.86 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 2.56 2.62 0.00 5 N 9.20 5.18 0.00 2.82 2.56 0.00 0.00 6.94 6.78 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 6 L 7.32 3.85 0.00 1.12 1.20 0.64 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.56 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 8 N 9.28 4.45 0.00 2.86 2.88 0.00 0.00 7.44 7.14 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 9 T 8.19 4.34 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 10 Y 7.74 4.10 0.00 2.63 2.75 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 11 R 9.29 4.13 0.00 1.70 1.71 0.00 3.29 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 12 G 8.22 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.54 0.00 1.48 1.81 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.04 0.00 14 C 8.75 5.39 0.00 2.71 3.04 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 15 F 8.62 4.84 0.00 3.14 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 16 T 7.65 4.80 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 1.29 0.00 0.00 17 T 8.79 3.98 4.24 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 1.28 0.00 0.00 18 G 8.18 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.99 4.22 0.00 4.08 4.05 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 20 C 7.96 3.98 0.00 2.75 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 21 D 8.81 4.32 0.00 3.03 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.97 4.31 0.00 2.90 2.68 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 0.00 0.00 0.00 0.00 23 H 8.05 4.08 0.00 3.45 3.52 0.00 5.83 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 24 C 8.57 4.28 0.00 3.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.20 0.00 1.84 1.80 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.36 7.81 26 N 8.45 4.14 0.00 2.61 3.11 0.00 0.00 7.60 6.61 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 27 K 7.70 4.16 0.00 1.71 1.80 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.44 7.81 28 E 8.18 4.28 0.00 2.03 1.96 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 2.24 2.06 0.00 29 H 7.72 4.66 0.00 3.27 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.00 4.64 0.00 1.54 1.78 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.49 4.06 0.00 1.84 2.00 0.00 3.23 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 32 S 7.76 4.88 0.00 3.76 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 33 G 9.17 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.55 4.77 0.00 1.67 1.74 0.00 3.06 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 35 C 8.70 4.92 0.00 2.96 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 36 R 8.21 4.27 0.00 1.85 1.57 0.00 2.76 0.00 0.00 2.75 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 37 D 8.26 3.92 0.00 2.44 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 38 D 7.81 4.54 0.00 2.98 2.80 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 39 F 7.99 3.85 0.00 3.30 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 40 R 7.73 4.86 0.00 2.15 1.77 0.00 3.14 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 41 C 8.30 4.78 0.00 2.01 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.21 5.08 0.00 3.20 3.11 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 0.00 43 C 9.40 5.15 0.00 2.84 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 44 T 9.00 5.17 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 1.22 0.00 0.00 45 R 9.34 4.94 0.00 1.79 1.98 0.00 2.78 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 46 N 8.83 5.06 0.00 2.64 2.80 0.00 0.00 6.74 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 C 9.35 4.59 0.00 2.87 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