NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 D 4.5724 8.2227 120.1878 54.3041 42.5042 175.0500 8 Q 3.8611 8.5393 116.7882 56.1867 28.8665 177.0855 9 W 4.4802 7.8227 119.0298 60.3314 28.3022 177.7648 10 S 3.7433 6.5583 113.9689 60.4704 61.6526 176.0516 11 S 4.1336 7.7354 116.5667 61.6022 63.0064 176.0274 12 D 4.4424 8.3564 122.6076 56.8378 40.5434 178.5982 13 W 4.4219 8.8875 129.3549 60.4802 30.7810 178.1803 14 Q 4.0240 8.3149 118.2489 59.1058 28.1162 178.7353 15 T 3.8475 8.1307 116.8010 66.6408 68.5251 176.5430 16 W 4.0665 8.1018 129.6442 60.2466 30.5752 177.7185 17 N 3.9019 8.0095 116.5156 55.9624 37.9332 177.0820 18 A 3.8860 7.9200 122.0329 54.9376 18.4853 179.2525 19 K 3.6262 7.6989 118.1854 59.4934 32.1271 178.6104 20 W 3.5773 7.4759 128.4099 60.4597 30.5596 177.5342 21 D 4.3926 8.3951 119.2160 57.6087 40.2414 179.0401 22 Q 3.9028 8.0763 118.4696 58.4971 28.6346 178.4332 23 W 3.8136 7.9479 129.5087 60.2531 30.6693 177.9404 24 S 3.3510 7.9277 113.4646 61.3226 61.7394 176.0077 25 N 4.3170 8.0522 119.0742 56.1989 38.2103 177.2160 26 D 4.2160 7.7809 120.5018 56.9253 40.7840 178.5547 27 W 3.8590 7.5057 129.0765 60.3397 30.4406 177.8663 28 N 4.1700 8.0805 116.3502 55.9851 37.9386 177.3276 29 A 3.8571 8.0146 122.3519 54.6893 18.3913 179.3959 30 W 3.7460 8.0811 126.9036 60.5165 30.7151 177.8981 31 R 3.1059 7.7458 118.8954 59.3408 29.3379 178.3833 32 S 3.9908 7.8733 114.7012 61.9030 62.7977 176.5178 33 D 4.2523 7.8109 121.2590 57.0368 40.4400 178.7965 34 W 3.7556 7.5689 129.1363 60.2662 30.5179 178.2782 35 Q 3.8986 8.3888 118.1939 58.5718 28.0219 178.5359 36 A 3.8495 7.9574 121.9728 54.7188 18.3449 179.3513 37 W 3.8871 8.2391 127.2330 60.5360 30.7312 178.0433 38 K 2.8805 7.8286 119.7740 59.2509 31.3748 178.5002 39 D 4.1958 7.9424 119.2707 57.2641 40.6238 178.2337 40 D 4.1026 8.0488 118.7352 56.6717 41.1576 178.1441 41 W 3.7927 7.8061 129.1856 60.1356 30.5869 177.7901 42 A 3.6815 8.0597 120.7340 55.1491 17.7391 179.7563 43 R 3.7323 7.8222 116.5560 59.1719 30.0195 179.3545 44 W 3.4013 7.8676 118.8208 59.5584 28.8396 178.3411 45 N 4.3682 7.7881 116.3788 56.3044 37.8283 177.5187 46 Q 3.9057 7.9442 119.4403 58.8397 28.5755 178.9122 47 R 3.7411 7.7961 119.1951 59.2358 30.0313 179.3072 48 W 4.6055 8.1024 118.6619 59.7492 28.8574 178.1852 49 D 4.4557 8.6911 118.6389 57.4876 40.4540 178.0183 50 N 4.3864 8.2769 116.1822 55.8156 38.5330 176.7373 51 W 4.4062 7.8705 128.6884 59.9622 31.1568 177.6864 52 A 3.6395 8.4154 118.9139 53.6433 18.2146 177.3833 53 T 4.0492 7.4391 118.5045 63.7065 68.6611 174.6243 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 7 D 8.22 4.57 0.00 2.91 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 8 Q 8.54 3.86 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 9 W 7.82 4.48 0.00 3.73 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.56 3.74 0.00 2.72 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 11 S 7.74 4.13 0.00 4.08 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 12 D 8.36 4.44 0.00 3.11 2.92 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 0.00 0.00 0.00 13 W 8.89 4.42 0.00 3.74 3.49 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 14 Q 8.31 4.02 0.00 2.41 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 15 T 8.13 3.85 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 16 W 8.10 4.07 0.00 3.38 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 17 N 8.01 3.90 0.00 2.81 2.73 0.00 0.00 6.79 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.92 3.89 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 3.63 0.00 1.80 1.38 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.36 1.41 7.81 20 W 7.48 3.58 0.00 2.07 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.40 4.39 0.00 2.80 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.08 3.90 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 23 W 7.95 3.81 0.00 3.24 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.35 0.00 3.35 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.05 4.32 0.00 2.81 2.76 0.00 0.00 7.06 7.70 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 26 D 7.78 4.22 0.00 2.48 2.54 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 27 W 7.51 3.86 0.00 2.15 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 0.00 0.00 0.00 0.00 28 N 8.08 4.17 0.00 2.91 2.80 0.00 0.00 6.89 6.96 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 29 A 8.01 3.86 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 30 W 8.08 3.75 0.00 3.42 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.75 3.11 0.00 1.12 1.69 0.00 3.32 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.40 0.00 32 S 7.87 3.99 0.00 4.02 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 33 D 7.81 4.25 0.00 2.50 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.57 3.76 0.00 1.78 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.39 3.90 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.53 2.66 0.00 36 A 7.96 3.85 1.32 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 0.00 0.00 0.00 37 W 8.24 3.89 0.00 3.31 3.09 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 0.00 0.00 0.00 0.00 38 K 7.83 2.88 0.00 0.79 1.30 0.00 1.39 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.20 1.09 7.81 39 D 7.94 4.20 0.00 2.75 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 40 D 8.05 4.10 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 W 7.81 3.79 0.00 2.02 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.06 3.68 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 43 R 7.82 3.73 0.00 1.60 1.41 0.00 2.79 0.00 0.00 2.88 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.57 0.00 44 W 7.87 3.40 0.00 3.23 2.32 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 0.00 45 N 7.79 4.37 0.00 2.38 2.63 0.00 0.00 7.04 7.12 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 46 Q 7.94 3.91 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 47 R 7.80 3.74 0.00 1.51 1.53 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.21 0.00 48 W 8.10 4.61 0.00 3.52 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.69 4.46 0.00 3.02 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 50 N 8.28 4.39 0.00 3.03 2.91 0.00 0.00 7.00 7.20 0.00 0.00 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 W 7.87 4.41 0.00 3.31 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 52 A 8.42 3.64 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.44 4.05 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00