NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3006 8.2644 123.5803 52.0015 19.1989 174.7016 2 L 4.3737 8.0880 121.0787 55.2562 44.2095 176.3767 3 K 4.4200 7.6195 115.0935 55.5449 34.0729 177.4141 4 K 4.1898 7.8264 121.8477 59.4634 32.9061 177.9581 5 H 4.2704 7.8484 116.0798 58.8415 28.3450 177.0853 6 H 4.3232 8.2513 118.6833 58.9550 28.5812 177.3282 7 E 4.0598 8.1320 119.9524 58.9163 29.2361 179.0145 8 N 4.2440 8.0463 117.5378 56.8745 39.3347 176.9660 9 E 4.0299 8.1382 119.1823 59.0303 29.6089 179.4554 10 I 3.7090 7.7137 120.6505 64.2824 37.2297 178.4793 11 S 4.1575 7.9984 115.1095 61.5350 62.8369 176.1281 12 H 4.1892 8.0355 121.4553 59.5081 29.6679 177.0419 13 H 4.1072 7.7818 117.2490 58.3552 28.3735 177.7910 14 A 3.9215 7.7105 122.4302 55.2155 18.3951 179.7861 15 K 4.1200 7.8967 115.6301 58.6556 32.0428 179.2323 16 E 4.0988 7.9138 119.1637 58.8569 29.6486 178.4921 17 I 3.8347 7.7907 118.6768 63.6496 38.0352 177.7203 18 E 4.0474 8.1752 119.6593 59.0983 29.5208 178.9693 19 R 4.0080 8.0378 118.6810 58.9861 30.0912 178.5956 20 L 4.0235 7.9624 119.2717 57.6051 41.6823 179.0185 21 Q 3.9423 7.9175 119.1401 59.1113 29.0273 178.2858 22 K 3.9714 7.9262 120.2685 59.4256 32.1369 178.4162 23 E 3.9987 8.1292 119.5411 59.0800 29.5249 178.8292 24 I 3.7435 7.8215 113.3853 63.9052 37.5944 177.7897 25 E 3.8889 8.0483 120.7009 58.9097 29.4646 178.6095 26 R 3.8528 7.7951 118.1677 60.0807 30.2617 178.3026 27 H 4.2617 8.0356 116.4746 57.8641 28.7296 177.5821 28 K 4.0782 8.0301 121.6191 58.9323 31.9845 178.5687 29 Q 4.0473 8.0272 120.5046 58.7803 28.5022 177.9809 30 S 4.1602 7.9528 115.1140 61.2720 63.3310 176.2504 31 I 3.8133 7.7265 121.6553 63.2906 37.8280 177.6257 32 K 4.0396 7.9737 120.2748 58.8293 32.1531 178.6464 33 K 4.0404 8.0896 120.1062 59.0744 31.6713 178.7462 34 L 4.1101 7.9703 119.3022 57.1123 41.3613 179.0914 35 K 4.0277 7.7402 118.6975 59.1353 32.5833 178.3250 36 Q 4.1028 8.0141 119.5100 58.8184 28.5471 177.7646 37 S 4.2693 8.0285 113.7435 60.7921 62.1884 175.5586 38 E 4.0694 7.7081 120.7362 58.8190 29.4201 177.8100 39 D 4.4295 7.6633 116.2140 55.4034 41.4730 175.3890 40 D 4.9070 6.7241 116.7864 52.8083 43.2651 175.6082 41 D 4.2096 8.2489 120.9077 54.0746 38.7363 175.4835 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 4.30 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 L 8.09 4.37 0.00 1.62 1.61 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 3 K 7.62 4.42 0.00 1.66 1.68 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.35 7.81 4 K 7.83 4.19 0.00 2.00 2.02 0.00 1.40 0.00 0.00 1.87 0.00 0.00 3.12 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 5 H 7.85 4.27 0.00 3.40 3.63 0.00 5.48 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 8.25 4.32 0.00 3.40 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.13 4.06 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 8 N 8.05 4.24 0.00 2.99 2.81 0.00 0.00 7.07 7.76 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 9 E 8.14 4.03 0.00 2.06 1.97 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 2.45 2.42 0.00 10 I 7.71 3.71 2.07 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 1.57 0.94 0.95 0.00 0.00 11 S 8.00 4.16 0.00 4.07 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 0.00 12 H 8.04 4.19 0.00 3.26 3.44 0.00 5.78 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 13 H 7.78 4.11 0.00 3.29 3.23 0.00 5.67 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 14 A 7.71 3.92 1.39 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 0.00 0.00 0.00 15 K 7.90 4.12 0.00 1.82 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 16 E 7.91 4.10 0.00 2.13 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 2.36 2.48 0.00 17 I 7.79 3.83 1.86 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 1.51 1.61 1.02 0.00 0.00 18 E 8.18 4.05 0.00 2.26 1.97 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 2.32 2.31 0.00 19 R 8.04 4.01 0.00 2.01 1.97 0.00 3.10 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 20 L 7.96 4.02 0.00 1.83 1.69 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 7.92 3.94 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 22 K 7.93 3.97 0.00 1.86 1.93 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 23 E 8.13 4.00 0.00 2.28 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 2.36 2.34 0.00 24 I 7.82 3.74 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 0.97 0.00 0.00 25 E 8.05 3.89 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 26 R 7.80 3.85 0.00 1.97 1.90 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 27 H 8.04 4.26 0.00 3.31 3.33 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.03 4.08 0.00 2.01 1.97 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 29 Q 8.03 4.05 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 30 S 7.95 4.16 0.00 4.08 4.07 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 31 I 7.73 3.81 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.20 1.00 0.00 0.00 32 K 7.97 4.04 0.00 2.08 1.79 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.48 7.81 33 K 8.09 4.04 0.00 2.09 1.77 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 34 L 7.97 4.11 0.00 1.98 1.69 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 K 7.74 4.03 0.00 2.00 1.81 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 36 Q 8.01 4.10 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 37 S 8.03 4.27 0.00 4.19 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.71 4.07 0.00 2.25 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 2.32 2.31 0.00 39 D 7.66 4.43 0.00 2.77 2.76 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 40 D 6.72 4.91 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.21 0.00 2.74 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