NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9835 8.3393 109.7365 45.6300 0.0000 173.8632 2 V 3.9763 7.6019 116.6684 61.7991 34.7804 169.8679 3 I 4.3769 9.0238 122.6302 60.9109 41.1630 176.5740 4 D 4.6684 8.5585 127.1288 54.2669 39.2528 176.8497 5 T 4.5355 7.6048 126.5671 63.3638 68.9353 177.3853 6 S 4.0771 7.9351 119.9322 61.8794 63.4003 176.0912 7 A 3.9826 7.8549 122.7052 54.7425 18.1593 179.5559 8 V 3.5632 7.7097 115.5885 65.6444 31.9380 177.7292 9 E 4.1011 8.0412 118.6187 59.5527 29.4311 179.4189 10 S 4.2023 7.7448 113.5510 61.0495 63.0806 176.0606 11 A 4.3894 8.1260 126.4961 54.6280 18.0055 179.4325 12 I 3.6724 7.7311 118.1984 65.0689 37.1755 178.7504 13 T 4.4620 7.8009 117.5421 65.7163 67.7136 176.4529 14 D 4.4484 8.1289 121.4940 57.5271 40.8702 179.1739 15 G 3.6004 8.0372 105.4841 47.6694 0.0000 175.2246 16 Q 4.1085 8.0313 120.7141 59.0105 28.7830 179.5094 17 G 3.8087 8.0104 106.2791 48.1309 0.0000 175.1155 18 D 4.4193 8.1832 121.3375 57.4431 40.4736 178.8034 19 M 4.0540 7.9899 118.4133 58.6486 31.7892 178.9423 20 K 3.8499 8.0345 116.8821 59.0094 32.2547 179.1836 21 A 4.1785 8.4342 121.6162 55.3459 18.4460 179.4857 22 I 4.0153 8.2363 118.7350 64.6255 37.2185 178.5304 23 G 3.9659 7.7586 106.2423 48.1663 0.0000 175.5599 24 G 3.7716 7.7354 107.0554 47.7010 0.0000 175.2829 25 Y 4.0560 7.9127 118.2118 60.9261 37.9011 178.6589 26 I 3.7158 7.8449 120.1322 64.5124 37.3685 178.2962 27 V 3.6606 8.3654 119.6148 66.2677 31.0006 178.3078 28 G 3.6135 8.2126 104.4382 47.4952 0.0000 175.3650 29 A 4.1781 7.9617 123.0277 55.0046 18.5065 179.3843 30 L 3.8870 8.5624 117.9867 58.3041 41.8285 179.7809 31 V 3.5812 7.8132 117.7805 66.3961 31.1298 178.1640 32 I 3.7565 8.0396 119.5078 64.3249 36.8418 178.3485 33 L 3.5050 8.2613 119.5618 57.4885 40.4903 179.2581 34 A 4.0376 7.9222 120.5847 54.3047 18.2633 179.7590 35 V 3.5067 7.5611 116.3691 65.9349 31.8912 177.8125 36 A 4.1406 8.9061 121.7821 55.2059 18.2176 179.7674 37 G 3.6572 8.4039 104.4574 48.1318 0.0000 175.9072 38 L 4.1343 7.4845 121.6137 57.2450 41.5606 179.5990 39 I 3.8545 8.1623 120.5799 64.2809 36.8393 177.4788 40 Y 4.2473 8.5943 120.3416 61.0699 38.8590 178.1751 41 S 4.2600 8.1175 115.6800 61.0359 63.1043 175.9867 42 M 3.9468 8.3930 121.3747 59.0111 31.7745 178.4016 43 L 4.2154 8.0766 117.8577 57.3467 41.7663 179.4532 44 R 4.1723 7.8127 114.9925 58.7456 30.0732 178.3790 45 K 4.0192 8.3661 119.4470 58.9341 32.4597 176.3603 46 A 4.2004 8.3809 125.3222 52.3378 18.5514 176.8971 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 8.34 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 2 V 7.60 3.98 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 0.65 0.00 0.00 0.93 0.00 0.00 3 I 9.02 4.38 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 1.41 0.70 0.91 0.00 0.00 4 D 8.56 4.67 0.00 2.67 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.60 4.54 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 6 S 7.94 4.08 0.00 3.86 3.90 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 0.00 0.00 0.00 7 A 7.85 3.98 1.31 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 8 V 7.71 3.56 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 0.91 0.00 0.00 0.93 0.00 0.00 9 E 8.04 4.10 0.00 2.30 1.98 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 2.33 2.50 0.00 10 S 7.74 4.20 0.00 3.91 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.39 1.38 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 0.00 0.00 12 I 7.73 3.67 1.97 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 0.98 0.91 0.00 0.00 13 T 7.80 4.46 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 1.21 0.00 0.00 14 D 8.13 4.45 0.00 2.91 2.73 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 15 G 8.04 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.03 4.11 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 17 G 8.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.18 4.42 0.00 2.95 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.99 4.05 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 20 K 8.03 3.85 0.00 1.86 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 21 A 8.43 4.18 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.24 4.02 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 1.43 1.20 0.93 0.00 0.00 23 G 7.76 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 24 G 7.74 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.91 4.06 0.00 3.18 2.99 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 0.00 0.00 0.00 26 I 7.84 3.72 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.10 0.94 0.00 0.00 27 V 8.37 3.66 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 28 G 8.21 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 29 A 7.96 4.18 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 30 L 8.56 3.89 0.00 1.90 1.77 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.81 3.58 2.29 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 1.04 0.00 0.00 0.96 0.00 0.00 32 I 8.04 3.76 2.00 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 1.53 1.05 0.92 0.00 0.00 33 L 8.26 3.50 0.00 1.84 1.75 0.94 0.74 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 34 A 7.92 4.04 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 35 V 7.56 3.51 2.21 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 1.14 0.00 0.00 0.98 0.00 0.00 36 A 8.91 4.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 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 38 L 7.48 4.13 0.00 2.09 1.73 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.16 3.85 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.92 0.94 0.00 0.00 40 Y 8.59 4.25 0.00 2.96 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.12 4.26 0.00 3.99 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 42 M 8.39 3.95 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 43 L 8.08 4.22 0.00 1.70 1.76 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.81 4.17 0.00 1.97 2.08 0.00 2.95 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.71 0.00 45 K 8.37 4.02 0.00 1.70 1.99 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.58 7.81 46 A 8.38 4.20 1.26 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