NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8932 8.3544 109.7361 45.8422 0.0000 173.0060 2 S 4.2071 8.2265 113.2880 57.0568 64.3398 171.4623 3 S 4.5637 8.3390 122.5572 57.5419 67.9499 172.3466 4 G 3.2614 7.7083 112.8056 45.4314 0.0000 173.4873 5 S 4.7420 7.4622 119.4264 58.6986 63.3891 174.8781 6 S 4.5912 9.2552 114.3400 54.0258 61.7250 172.1232 7 G 3.6877 7.1657 126.8508 45.6026 0.0000 171.8741 8 T 4.4395 7.4187 111.7472 60.9852 70.7396 173.3484 9 G 4.0827 8.9191 118.6987 44.5138 0.0000 174.3456 10 E 4.5079 9.2561 116.8388 55.1328 32.5444 174.5599 11 R 3.8351 8.6689 126.0571 56.7838 30.9035 175.0867 12 H 4.7869 7.8226 113.3458 54.3357 31.7242 172.6674 13 Y 4.6802 8.4854 117.7070 56.8034 38.7302 174.4270 14 E 5.1771 8.6546 122.5820 54.4038 31.8630 175.6322 15 C 4.3804 9.3902 123.1532 60.2926 32.0428 173.3436 16 S 4.6619 8.7723 116.0027 58.4021 63.4791 175.0750 17 E 4.1609 8.2513 118.9241 59.4072 29.8714 177.1217 18 C 4.2742 7.9833 111.4291 61.3380 30.6219 174.2442 19 G 4.0738 8.4147 106.6782 44.5635 0.0000 173.5185 20 K 4.2033 8.2701 121.1285 56.0260 33.6145 175.2719 21 A 5.0878 7.9402 125.0054 50.1590 21.4089 175.4628 22 F 4.8044 8.7780 118.0720 55.9170 43.3995 176.0512 23 I 4.0117 8.7866 120.2998 63.1918 38.2207 176.5614 24 Q 4.8190 7.7736 117.9078 53.6187 32.5228 176.5191 25 K 3.3176 7.7789 123.4529 59.5802 32.2366 179.2841 26 S 3.9907 7.7970 114.8867 62.1275 62.2682 176.6720 27 T 3.8117 7.8325 117.5788 66.5502 68.1442 176.1148 28 L 2.4400 7.1731 121.6169 57.7018 42.0251 178.9633 29 S 4.0047 7.5966 114.7413 62.1650 62.5934 176.6844 30 M 4.0091 7.4602 119.3509 58.2341 31.8687 177.9462 31 H 4.4479 7.4173 117.7949 58.9871 30.3642 177.0775 32 Q 4.1512 8.3007 120.4778 59.0203 28.4941 179.7584 33 R 3.8768 7.7487 117.0275 59.6123 28.9670 178.5720 34 I 3.7391 7.8791 112.8460 64.3122 37.1508 177.2501 35 H 4.5452 8.0803 116.9744 56.9076 28.8098 176.3280 36 R 3.9888 8.0184 120.5411 55.4602 30.9055 176.9485 37 G 3.9556 7.9447 111.0058 46.0852 0.0000 171.1825 38 E 4.5591 8.2426 121.8400 54.9385 31.4901 175.6656 39 K 4.7106 8.0722 118.7167 53.5906 35.8174 174.5032 40 P 4.4651 0.0000 0.0000 62.4237 32.0232 176.3872 41 S 4.1022 8.7352 114.1910 62.6816 62.4100 173.4588 42 G 3.6182 8.2090 112.2744 45.2404 0.0000 173.3662 43 P 4.4256 0.0000 0.0000 62.7936 31.3652 175.6934 44 S 3.8645 7.2538 116.4075 58.9306 61.9162 174.7139 45 S 4.4360 8.4306 121.9578 59.6241 62.4515 174.5479 46 G 4.0168 8.6659 114.4786 45.9237 0.0000 171.6763 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 G 8.35 3.89 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 0.00 0.00 0.00 2 S 8.23 4.21 0.00 3.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.34 4.56 0.00 3.84 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.71 3.26 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 0.00 0.00 0.00 5 S 7.46 4.74 0.00 3.81 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 6 S 9.26 4.59 0.00 3.82 3.72 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 7 G 7.17 3.69 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 0.00 0.00 0.00 8 T 7.42 4.44 4.23 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 1.20 0.00 0.00 9 G 8.92 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 9.26 4.51 0.00 1.85 1.79 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 2.09 2.25 0.00 11 R 8.67 3.84 0.00 1.66 1.65 0.00 3.20 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 12 H 7.82 4.79 0.00 3.45 3.23 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 8.49 4.68 0.00 3.08 3.01 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 0.00 0.00 0.00 14 E 8.65 5.18 0.00 2.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 15 C 9.39 4.38 0.00 3.30 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.77 4.66 0.00 3.88 3.85 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 17 E 8.25 4.16 0.00 1.57 1.61 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 0.00 2.26 2.24 0.00 18 C 7.98 4.27 0.00 3.16 3.19 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 0.00 0.00 0.00 0.00 19 G 8.41 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 0.00 0.00 0.00 20 K 8.27 4.20 0.00 1.85 1.67 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.45 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.82 1.22 7.81 21 A 7.94 5.09 1.01 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 0.00 0.00 0.00 0.00 0.00 22 F 8.78 4.80 0.00 3.17 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 23 I 8.79 4.01 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.73 1.00 0.00 0.00 24 Q 7.77 4.82 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 25 K 7.78 3.32 0.00 0.79 1.12 0.00 1.40 0.00 0.00 1.35 0.00 0.00 3.08 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.27 7.81 26 S 7.80 3.99 0.00 3.82 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 27 T 7.83 3.81 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 28 L 7.17 2.44 0.00 1.13 1.58 0.68 0.94 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 29 S 7.60 4.00 0.00 3.98 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 30 M 7.46 4.01 0.00 1.93 2.22 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.51 0.00 31 H 7.42 4.45 0.00 3.21 3.16 0.00 5.82 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 32 Q 8.30 4.15 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 33 R 7.75 3.88 0.00 1.99 2.17 0.00 2.81 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 34 I 7.88 3.74 1.76 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.12 0.82 0.00 0.00 35 H 8.08 4.55 0.00 3.27 3.37 0.00 5.67 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 36 R 8.02 3.99 0.00 1.83 1.89 0.00 3.46 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.72 0.00 37 G 7.94 3.96 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 0.00 0.00 0.00 38 E 8.24 4.56 0.00 2.06 1.95 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 2.22 2.38 0.00 39 K 8.07 4.71 0.00 1.71 1.71 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.33 7.81 40 P 0.00 4.47 0.00 2.18 2.05 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 41 S 8.74 4.10 0.00 3.85 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 42 G 8.21 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.43 0.00 2.19 2.17 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 44 S 7.25 3.86 0.00 3.84 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 45 S 8.43 4.44 0.00 3.96 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 46 G 8.67 4.02 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 0.00 0.00 0.00