NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2795 8.1127 120.8598 56.6451 32.1849 177.3886 2 M 3.8895 7.9145 116.8712 57.3167 32.1158 176.1816 3 K 3.8350 8.2594 119.7387 59.6596 32.7012 177.7820 4 Q 3.9636 8.0438 119.0592 59.2244 29.0173 178.0630 5 I 3.6908 7.6379 120.4421 64.4843 37.1873 178.2675 6 E 3.9648 8.3115 119.2658 59.4856 29.3231 179.0904 7 D 4.3614 8.4790 119.2302 57.5495 40.9498 179.2136 8 K 4.0303 8.4340 119.1960 59.2922 31.9415 179.6096 9 I 3.7088 7.8987 120.2322 64.4352 37.0585 178.1456 10 E 3.9677 8.1834 119.3798 59.6054 29.1989 179.3980 11 E 3.9891 8.3468 118.4549 59.3635 29.4464 179.4955 12 I 3.6943 7.8951 119.8206 64.4754 37.3157 178.3378 13 E 3.9625 8.3201 119.4203 59.4933 29.2877 179.6873 14 S 4.1127 8.1049 115.1803 61.5502 62.8634 176.7139 15 K 3.9847 8.3376 122.5356 59.4009 31.7883 178.6679 16 Q 3.9443 8.3409 120.2438 58.9686 28.9174 178.3082 17 K 4.1296 8.0129 119.4095 59.1190 32.0960 179.0667 18 K 3.8592 8.0881 119.9302 59.7047 32.0328 178.8137 19 I 3.9543 7.8434 121.2964 63.9950 36.9833 178.2395 20 E 3.9714 8.4022 119.5340 59.4707 29.3596 179.2466 21 N 4.3133 8.3628 116.4827 56.3797 38.7029 177.2260 22 E 3.9814 8.2283 119.8635 59.4607 29.4675 179.4880 23 I 3.7667 8.1280 119.8360 64.3199 37.3347 177.9901 24 A 3.9900 8.1180 121.6900 55.5969 18.1301 180.0312 25 R 3.8904 7.8654 115.6765 59.3498 30.0853 179.2024 26 I 3.6936 7.9549 119.8000 64.4989 37.0872 178.6388 27 K 3.9804 8.3445 119.4020 59.2942 31.8317 179.6230 28 K 3.9483 7.9422 118.3760 59.4142 31.9597 179.2150 29 L 3.9586 7.9132 120.6441 57.9334 42.0149 178.6239 30 L 3.9583 8.2101 120.5894 58.3759 42.0170 179.0019 31 Q 4.0683 8.3258 117.9915 58.8382 28.5162 178.7316 32 L 4.0527 7.9733 120.3004 58.1552 41.6408 179.7521 33 T 3.9374 8.1965 109.7666 64.6762 68.6782 176.5703 34 V 3.5793 7.9904 121.1288 65.5800 31.5775 177.7507 35 W 4.2246 8.4023 128.1075 60.5090 30.5026 178.1293 36 G 3.6334 8.7471 105.9452 47.8686 0.0000 175.7382 37 I 3.6604 8.0429 122.5425 63.8178 37.2293 178.3160 38 K 3.7604 7.9275 120.4147 59.7547 31.9167 178.8818 39 Q 3.6856 7.5560 118.0799 58.7347 28.3971 178.7681 40 L 3.8993 7.9422 120.2280 57.4775 41.7649 179.1293 41 Q 3.8788 8.2229 119.5735 59.1474 28.7684 178.4319 42 A 3.9185 7.4444 119.6582 55.3869 18.5587 179.5222 43 R 4.0438 7.9468 115.2628 58.6533 30.2745 178.9564 44 I 3.9826 7.8345 119.2047 63.6452 37.6586 175.9061 45 L 4.2128 7.5334 122.1428 54.9050 41.5994 176.6815 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 R 8.11 4.28 0.00 1.86 1.99 0.00 3.15 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 2 M 7.91 3.89 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.71 0.00 3 K 8.26 3.83 0.00 1.90 1.80 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.72 7.81 4 Q 8.04 3.96 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 5 I 7.64 3.69 2.03 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 1.52 0.64 0.91 0.00 0.00 6 E 8.31 3.96 0.00 2.14 1.99 0.00 0.00 0.00 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 2.42 0.00 7 D 8.48 4.36 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 4.03 0.00 1.81 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.68 7.81 9 I 7.90 3.71 2.07 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 1.52 0.70 0.91 0.00 0.00 10 E 8.18 3.97 0.00 2.19 2.01 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 2.33 2.49 0.00 11 E 8.35 3.99 0.00 2.18 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 2.48 0.00 12 I 7.90 3.69 2.02 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 1.52 0.71 0.91 0.00 0.00 13 E 8.32 3.96 0.00 2.15 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 2.47 0.00 14 S 8.10 4.11 0.00 4.11 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 15 K 8.34 3.98 0.00 1.91 1.94 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.49 7.81 16 Q 8.34 3.94 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 17 K 8.01 4.13 0.00 2.04 1.84 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.66 7.81 18 K 8.09 3.86 0.00 1.98 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 19 I 7.84 3.95 2.01 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 1.53 1.06 0.91 0.00 0.00 20 E 8.40 3.97 0.00 2.14 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 2.46 0.00 21 N 8.36 4.31 0.00 2.93 2.86 0.00 0.00 7.03 7.19 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 22 E 8.23 3.98 0.00 2.21 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 2.51 0.00 23 I 8.13 3.77 2.02 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 1.46 0.83 0.91 0.00 0.00 24 A 8.12 3.99 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 25 R 7.87 3.89 0.00 2.04 1.98 0.00 3.14 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 26 I 7.95 3.69 2.01 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 1.52 0.75 0.92 0.00 0.00 27 K 8.34 3.98 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 28 K 7.94 3.95 0.00 1.97 1.84 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.61 7.81 29 L 7.91 3.96 0.00 1.78 1.80 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.21 3.96 0.00 1.94 1.83 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.33 4.07 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 32 L 7.97 4.05 0.00 1.97 1.77 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.20 3.94 4.28 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 1.31 0.00 0.00 34 V 7.99 3.58 2.31 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 1.03 0.00 0.00 1.01 0.00 0.00 35 W 8.40 4.22 0.00 3.46 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.75 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.66 1.98 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 1.40 0.74 0.88 0.00 0.00 38 K 7.93 3.76 0.00 1.86 1.72 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.27 1.40 7.81 39 Q 7.56 3.69 0.00 1.75 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 40 L 7.94 3.90 0.00 1.75 1.66 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.22 3.88 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 42 A 7.44 3.92 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 43 R 7.95 4.04 0.00 1.82 1.95 0.00 3.13 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 44 I 7.83 3.98 1.97 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 1.50 0.53 0.89 0.00 0.00 45 L 7.53 4.21 0.00 1.82 1.55 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00