NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2465 8.2644 123.5821 52.1189 19.9376 175.1840 2 V 4.0843 7.9427 118.4368 58.9621 32.8458 173.5914 3 Q 4.1874 8.8381 125.7164 56.4992 29.7583 174.6520 4 Q 4.4740 7.6931 117.5116 54.9006 32.3258 172.4350 5 N 4.1722 8.5538 123.0788 52.3000 38.1710 173.9129 6 K 4.3709 8.2662 120.8652 54.0207 32.7891 174.6630 7 P 4.3246 0.0000 0.0000 63.0608 31.9720 176.1409 8 T 4.4090 8.1174 115.4751 60.9383 68.8758 175.7586 9 R 3.9369 8.5322 124.1389 59.3933 29.9210 179.1040 10 S 4.1022 8.1585 114.4162 62.0199 62.6888 176.9899 11 K 3.9812 7.6251 119.3940 59.3659 31.8920 179.3441 12 R 4.1574 7.9107 118.7109 59.0805 30.0876 178.8144 13 G 3.6620 8.0983 105.0123 48.2107 0.0000 175.2366 14 M 4.0897 8.0662 120.1494 58.3647 32.0983 178.4613 15 R 4.3002 8.3338 118.0220 58.2347 30.5180 178.1248 16 R 4.3561 7.7855 115.5420 56.3879 30.1446 178.0577 17 S 4.0138 7.5509 116.1502 62.0121 62.8496 175.2974 18 H 4.5580 7.6742 113.4432 55.6534 28.7657 174.5065 19 D 4.8457 7.7768 120.0413 51.5580 42.3578 175.8441 20 A 4.4368 7.7440 128.0696 52.3316 20.9843 175.0502 21 L 4.7000 7.9496 119.1539 53.1518 43.6688 177.0098 22 T 3.9258 8.2991 118.9037 63.1950 68.9037 174.4075 23 A 4.2428 8.4679 130.0435 51.5280 18.0770 177.0391 24 V 3.7525 8.3526 122.3049 64.1519 32.5623 175.9092 25 T 3.4513 7.8617 114.8819 64.7444 65.4152 171.4787 26 S 4.4390 7.8167 120.3661 61.3717 64.4451 176.2100 27 L 4.5048 8.1214 118.6101 55.6409 40.7699 176.4537 28 S 4.6399 8.0080 113.6826 57.9810 66.1512 173.8441 29 V 4.5055 8.2583 112.8693 59.7998 34.8641 175.2019 30 D 4.9071 9.1419 124.3844 52.9466 43.0795 176.3506 31 K 4.5072 8.4396 117.8703 56.5850 32.0772 177.6518 32 T 4.3934 7.5868 108.4141 61.3636 70.4962 174.0346 33 S 4.3199 7.7162 116.8474 57.4853 63.4246 174.0961 34 G 3.8623 8.7108 115.4575 46.2762 0.0000 172.1419 35 E 4.1597 7.6842 118.6820 56.4265 30.5289 177.6898 36 K 4.4259 8.4985 121.6115 55.1548 31.2235 175.3741 37 H 5.0479 8.2905 119.5143 53.1794 32.8890 172.1422 38 L 5.2169 8.6455 121.0699 53.3057 42.6948 176.5089 39 R 3.9277 8.6138 122.7886 57.0047 30.5654 175.5961 40 H 3.6993 8.7209 114.7360 56.5248 26.1925 174.5726 41 H 4.7170 6.7966 115.7957 55.5850 31.9442 173.2795 42 I 4.2312 8.3345 120.8283 61.9745 38.4510 176.8990 43 T 4.1190 7.9508 114.3225 61.8952 69.2736 175.4493 44 A 3.8565 9.3626 124.1408 52.3273 15.9112 178.1458 45 D 4.3884 7.5741 112.5073 55.4371 42.8318 176.0227 46 G 3.9232 8.2041 107.6715 45.2620 0.0000 173.9212 47 Y 5.3370 6.9364 116.4506 57.6493 38.4491 175.3891 48 Y 4.6915 8.7496 118.2620 58.4335 41.9465 176.4580 49 R 4.2273 8.3173 112.7752 55.6731 30.1974 175.1278 50 G 3.3093 7.9264 105.8503 46.3737 0.0000 169.3943 51 R 3.7775 8.1839 123.0799 55.0862 27.1885 175.9585 52 K 4.2069 8.7788 124.5626 56.5670 32.5476 177.0426 53 V 4.1506 8.2984 119.1564 61.4043 32.5165 175.7431 54 I 4.4212 7.4042 119.1801 59.6241 39.6351 175.3293 55 A 4.6286 8.2996 124.7969 52.6730 20.9773 176.5432 56 K 4.1935 7.9211 122.7536 57.3163 32.6999 176.1000 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 A 8.26 4.25 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 2 V 7.94 4.08 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 0.86 0.00 0.00 0.93 0.00 0.00 3 Q 8.84 4.19 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 4 Q 7.69 4.47 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.18 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 5 N 8.55 4.17 0.00 2.92 2.81 0.00 0.00 6.80 7.61 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 6 K 8.27 4.37 0.00 1.70 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.44 7.81 7 P 0.00 4.32 0.00 2.08 1.98 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 8 T 8.12 4.41 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 9 R 8.53 3.94 0.00 1.93 1.97 0.00 3.25 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 10 S 8.16 4.10 0.00 3.86 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.63 3.98 0.00 1.82 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.49 7.81 12 R 7.91 4.16 0.00 2.01 1.94 0.00 3.14 0.00 0.00 3.34 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.86 0.00 13 G 8.10 3.66 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 0.00 0.00 0.00 14 M 8.07 4.09 0.00 2.02 2.31 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 15 R 8.33 4.30 0.00 1.93 1.99 0.00 3.12 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 16 R 7.79 4.36 0.00 1.85 1.95 0.00 3.15 0.00 0.00 3.34 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 17 S 7.55 4.01 0.00 3.68 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 18 H 7.67 4.56 0.00 3.14 3.36 0.00 5.62 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 19 D 7.78 4.85 0.00 2.72 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 4.44 1.25 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 0.00 0.00 21 L 7.95 4.70 0.00 1.63 1.58 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.30 3.93 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 23 A 8.47 4.24 1.25 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 0.00 0.00 24 V 8.35 3.75 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 0.85 0.00 0.00 1.00 0.00 0.00 25 T 7.86 3.45 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 26 S 7.82 4.44 0.00 3.78 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.50 0.00 1.61 1.65 0.90 0.65 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 28 S 8.01 4.64 0.00 3.87 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 29 V 8.26 4.51 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 0.92 0.00 0.00 30 D 9.14 4.91 0.00 2.87 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.44 4.51 0.00 1.71 1.81 0.00 1.57 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.47 7.81 32 T 7.59 4.39 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 1.17 0.00 0.00 33 S 7.72 4.32 0.00 4.03 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.71 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.68 4.16 0.00 2.08 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 2.39 2.39 0.00 36 K 8.50 4.43 0.00 1.60 1.73 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.34 7.81 37 H 8.29 5.05 0.00 3.13 3.36 0.00 5.25 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.65 5.22 0.00 1.68 1.63 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.61 3.93 0.00 1.86 1.93 0.00 3.23 0.00 0.00 3.30 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 40 H 8.72 3.70 0.00 3.15 3.44 0.00 5.99 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 6.80 4.72 0.00 3.05 3.24 0.00 5.89 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.33 4.23 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.77 0.92 0.00 0.00 43 T 7.95 4.12 4.39 0.00 0.00 0.00 0.00 0.00 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 44 A 9.36 3.86 1.41 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 0.00 0.00 45 D 7.57 4.39 0.00 2.38 2.07 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 3.92 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 0.00 0.00 0.00 47 Y 6.94 5.34 0.00 3.10 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 48 Y 8.75 4.69 0.00 3.05 2.86 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 0.00 0.00 0.00 49 R 8.32 4.23 0.00 1.95 2.06 0.00 3.18 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 50 G 7.93 3.31 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 51 R 8.18 3.78 0.00 2.17 2.12 0.00 3.18 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 52 K 8.78 4.21 0.00 1.96 1.83 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.56 7.81 53 V 8.30 4.15 2.11 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 0.82 0.00 0.00 0.99 0.00 0.00 54 I 7.40 4.42 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.87 0.00 0.00 55 A 8.30 4.63 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 56 K 7.92 4.19 0.00 1.70 1.67 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.38 7.81