NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.1339 8.1631 115.2021 61.9318 68.2203 173.1329 9 G 3.9688 7.7667 117.8231 42.1516 0.0000 170.8984 10 K 3.6269 8.5424 120.4915 59.4727 32.7463 175.2505 11 K 4.0714 8.2772 120.1345 56.9511 32.7497 176.1825 12 N 4.5791 8.7400 121.1935 52.9971 37.8216 174.2075 13 L 4.7065 8.0346 122.2599 54.7825 45.1782 176.6523 14 V 4.4780 8.1369 118.4624 60.4461 38.8630 179.9174 15 V 3.6952 10.0915 121.4035 62.5902 31.0535 175.8698 16 N 3.8171 8.0968 119.1988 50.3969 37.3971 173.3156 17 S 4.8113 8.2065 118.9537 57.4218 66.5079 172.9569 18 V 4.7106 8.1487 112.2409 59.6975 36.2623 175.0903 19 I 3.8531 8.4389 115.1395 61.8322 38.1737 175.0650 20 R 4.6724 8.5252 122.7890 54.7587 32.7936 174.6706 21 R 4.8378 8.3895 124.2173 55.0183 33.3276 176.5979 22 G 3.9485 8.1180 104.8150 46.1219 0.0000 173.3407 23 K 4.6638 8.4415 127.9323 55.8075 35.1746 175.7128 24 A 4.5408 8.0890 119.2912 52.1266 22.1992 176.3669 25 R 3.9032 8.5889 114.6052 56.8268 27.6324 176.0648 26 A 3.7608 8.2155 120.3100 53.1948 18.0334 176.9618 27 D 4.3093 8.7155 125.6095 54.9105 40.6252 173.9260 28 G 3.9800 8.1404 106.4248 45.0844 0.0000 172.0272 29 G 3.8015 8.5890 108.5324 46.3386 0.0000 174.7430 30 V 3.4731 8.3477 124.9330 62.8531 31.9103 172.2598 31 G 4.4487 8.1752 107.2471 44.8506 0.0000 173.4449 32 R 4.1192 8.9660 120.9822 57.5025 28.3242 177.4905 33 K 4.3619 9.9400 112.3993 55.6612 34.2249 176.0603 34 T 3.8489 6.6497 108.5211 62.6841 72.1561 170.1987 35 T 4.4869 8.2243 116.5788 61.9067 70.9282 173.9081 36 G 4.0319 8.2512 113.4194 44.3997 0.0000 172.6937 37 I 4.4605 8.2417 127.7919 61.2685 37.5496 176.4162 38 T 4.6835 8.2440 111.0775 60.5546 71.0351 174.0997 39 K 4.3352 8.3061 122.7737 54.6612 30.2689 176.3584 40 R 4.0251 8.1753 135.0000 57.0651 29.7283 174.4188 41 V 4.6762 7.3985 121.5841 60.5404 35.6304 178.7081 42 Q 4.5355 8.6081 122.8990 56.3618 32.1898 171.8911 43 R 4.8473 8.4461 120.8767 54.7835 34.7688 173.5352 44 A 4.8332 8.3886 119.9141 50.8624 22.6616 175.0898 45 N 5.0797 8.9027 115.3007 51.9003 42.8176 174.7767 46 L 4.6839 7.9708 119.6644 54.6959 46.4923 174.4911 47 H 4.8447 7.9509 122.6576 56.0487 34.4175 176.3016 48 K 4.3950 9.1176 131.6315 57.7491 34.7995 171.9058 49 K 4.7788 8.2677 116.6856 57.0280 34.7517 174.0318 50 A 4.4072 7.7136 120.5369 51.0943 21.8071 175.7257 51 I 4.8433 7.9068 120.1890 60.1817 38.2376 176.0934 52 R 4.5555 7.9743 124.5624 57.3918 32.8750 173.7111 53 E 4.9154 7.9631 115.3625 57.6212 32.5879 174.7296 54 N 4.7616 7.8912 116.3623 53.5409 41.8893 175.5229 55 G 4.3085 8.1738 112.6557 44.4572 0.0000 174.6884 56 Q 4.6039 7.5058 114.3969 55.9545 33.5662 172.8592 57 V 4.0569 7.7772 117.5211 63.3772 32.8152 176.9543 58 K 4.2758 8.3202 125.8203 56.8069 35.8938 174.0157 59 T 4.5453 8.4265 109.5730 62.1790 76.3902 175.6718 60 V 3.2792 7.5140 114.3029 61.0671 30.9381 172.5183 61 W 4.4586 8.5549 119.0864 55.3997 29.9410 175.3708 62 L 4.7996 8.3673 125.7549 53.3904 43.0623 175.2038 63 S 4.7612 8.5513 120.8711 58.0084 65.6637 173.9511 64 A 3.8452 8.8351 123.4346 56.0637 17.6393 179.2222 65 N 4.1383 8.1573 113.9363 55.4352 38.9643 176.6496 66 A 4.3525 7.3307 120.9677 53.7115 20.1630 178.7818 67 L 4.0286 8.8728 119.7244 57.6778 41.7945 179.1893 68 R 4.0377 7.9984 120.2738 58.8857 30.1203 178.3991 69 T 3.9934 7.4579 112.9902 65.5873 68.4126 175.3432 70 L 4.5116 8.0826 122.0890 56.6952 43.2451 177.6584 71 S 4.5080 7.9269 115.7093 59.5155 62.7591 175.5558 72 K 4.7961 8.1197 125.1863 54.8445 30.4322 180.8346 73 G 3.5388 8.9482 118.4560 45.6593 0.0000 170.6836 74 P 4.4422 0.0000 0.0000 62.1417 32.5463 175.3313 75 Y 4.3295 8.5289 120.5212 56.7075 38.0183 177.1817 76 K 4.2168 8.8661 124.3831 56.7128 31.5637 176.1554 77 G 4.3706 8.2564 104.2810 44.1557 0.0000 172.4075 78 I 4.7430 8.1943 119.5660 58.4297 41.5098 175.1442 79 E 4.2460 8.8767 126.5431 56.9178 29.4952 176.9251 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 8 T 8.16 4.13 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 0.95 0.00 0.00 9 G 7.77 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 0.00 0.00 0.00 10 K 8.54 3.63 0.00 1.82 1.70 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.47 7.81 11 K 8.28 4.07 0.00 1.76 1.72 0.00 1.82 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.47 7.81 12 N 8.74 4.58 0.00 2.91 2.86 0.00 0.00 6.71 6.74 0.00 0.00 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 L 8.03 4.71 0.00 1.56 1.57 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.14 4.48 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 0.63 0.00 0.00 0.94 0.00 0.00 15 V 10.09 3.70 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.89 0.00 0.00 16 N 8.10 3.82 0.00 2.75 2.89 0.00 0.00 6.58 7.57 0.00 0.00 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 S 8.21 4.81 0.00 3.87 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 18 V 8.15 4.71 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 0.94 0.00 0.00 0.93 0.00 0.00 19 I 8.44 3.85 1.91 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 0.52 1.03 0.00 0.00 20 R 8.53 4.67 0.00 1.87 1.77 0.00 3.14 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 21 R 8.39 4.84 0.00 1.71 1.81 0.00 3.30 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 22 G 8.12 3.95 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 0.00 0.00 0.00 23 K 8.44 4.66 0.00 1.97 1.87 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.43 7.81 24 A 8.09 4.54 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 25 R 8.59 3.90 0.00 1.96 2.02 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 26 A 8.22 3.76 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 27 D 8.72 4.31 0.00 2.80 2.66 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 0.00 0.00 0.00 0.00 28 G 8.14 3.98 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 0.00 0.00 0.00 29 G 8.59 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 0.00 0.00 0.00 30 V 8.35 3.47 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 0.77 0.00 0.00 0.93 0.00 0.00 31 G 8.18 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.97 4.12 0.00 1.92 1.53 0.00 3.31 0.00 0.00 3.38 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 33 K 9.94 4.36 0.00 1.74 1.87 0.00 1.93 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.35 1.33 7.81 34 T 6.65 3.85 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 1.21 0.00 0.00 35 T 8.22 4.49 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 1.21 0.00 0.00 36 G 8.25 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 4.46 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 1.40 0.58 0.91 0.00 0.00 38 T 8.24 4.68 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 1.21 0.00 0.00 39 K 8.31 4.34 0.00 1.82 1.06 0.00 1.98 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.55 7.81 40 R 8.18 4.03 0.00 1.98 2.01 0.00 3.22 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 V 7.40 4.68 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 0.75 0.00 0.00 0.98 0.00 0.00 42 Q 8.61 4.54 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 43 R 8.45 4.85 0.00 1.79 1.80 0.00 3.11 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 44 A 8.39 4.83 1.15 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 0.00 0.00 45 N 8.90 5.08 0.00 2.64 2.68 0.00 0.00 7.15 6.87 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 46 L 7.97 4.68 0.00 1.52 1.46 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 47 H 7.95 4.84 0.00 3.26 2.50 0.00 5.74 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.12 4.39 0.00 1.72 1.71 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 1.25 7.81 49 K 8.27 4.78 0.00 1.63 1.08 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.36 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.67 7.81 50 A 7.71 4.41 1.15 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 0.00 0.00 51 I 7.91 4.84 1.83 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.93 0.00 0.00 52 R 7.97 4.56 0.00 1.74 2.00 0.00 3.42 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 53 E 7.96 4.92 0.00 2.42 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 0.00 2.04 2.05 0.00 54 N 7.89 4.76 0.00 2.71 2.65 0.00 0.00 6.82 8.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.17 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.51 4.60 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.14 2.02 0.00 57 V 7.78 4.06 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 1.00 0.00 0.00 0.98 0.00 0.00 58 K 8.32 4.28 0.00 1.89 1.58 0.00 1.85 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.41 7.81 59 T 8.43 4.55 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 60 V 7.51 3.28 2.20 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 0.75 0.00 0.00 0.98 0.00 0.00 61 W 8.55 4.46 0.00 3.50 3.25 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 62 L 8.37 4.80 0.00 1.72 1.52 0.96 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.55 4.76 0.00 4.06 3.98 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 64 A 8.84 3.85 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 65 N 8.16 4.14 0.00 2.80 2.91 0.00 0.00 6.66 7.54 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 66 A 7.33 4.35 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.87 4.03 0.00 1.64 1.95 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.00 4.04 0.00 1.94 1.90 0.00 3.21 0.00 0.00 3.27 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 69 T 7.46 3.99 4.29 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 1.13 0.00 0.00 70 L 8.08 4.51 0.00 1.98 2.08 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.93 4.51 0.00 4.11 4.41 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 72 K 8.12 4.80 0.00 1.81 0.89 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.70 1.56 7.81 73 G 8.95 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 74 P 0.00 4.44 0.00 2.30 2.04 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.92 0.00 75 Y 8.53 4.33 0.00 3.06 2.96 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 76 K 8.87 4.22 0.00 1.98 2.00 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.49 7.81 77 G 8.26 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 8.19 4.74 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 1.22 1.73 1.03 0.00 0.00 79 E 8.88 4.25 0.00 1.93 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 2.42 2.29 0.00