NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2681 8.3149 119.9937 56.6165 34.0243 174.7938 7 E 4.4499 8.3410 119.1357 54.3807 33.1243 173.2040 8 L 5.1782 9.3617 125.6906 53.3377 45.2441 175.6133 9 V 5.0073 8.8631 114.1280 59.6736 36.6758 174.0272 10 L 5.0906 8.7727 124.8558 53.1866 44.1883 175.3494 11 A 4.6012 9.0428 129.3257 52.2730 18.6240 178.0293 12 L 3.8725 8.9727 123.9730 56.8552 42.3917 176.8486 13 Y 4.8880 7.5442 113.8038 55.8550 42.1588 174.9780 14 D 4.8493 8.8186 120.9405 55.0017 42.1483 175.5067 15 Y 4.9027 9.1463 122.5475 56.4304 42.3959 173.4790 16 Q 4.9533 8.0527 125.7066 53.5663 30.7994 175.3803 17 E 4.3360 8.6896 122.5408 56.8904 29.8314 177.1343 18 K 4.5399 9.5843 120.9502 56.0763 34.0288 175.6279 19 S 4.6992 7.5115 112.7059 55.9903 66.0233 173.1962 20 P 4.3149 0.0000 0.0000 65.2137 31.2582 177.4111 21 D 4.6770 7.7481 115.9418 53.9265 39.9381 175.8375 22 E 5.3909 7.8951 120.1173 55.5866 31.3075 175.3801 23 V 4.7113 8.4233 119.6362 60.4922 34.8818 174.8702 24 T 5.0962 8.6136 117.7403 62.5686 70.1211 174.1031 25 M 5.0354 9.1572 121.6248 53.7138 35.5498 173.9289 26 K 5.0635 9.2625 119.1447 54.0223 35.4025 176.0358 27 K 4.0652 9.2340 125.0317 58.5861 32.3388 177.1915 28 G 3.9915 8.9288 114.9264 44.9698 0.0000 173.3389 29 D 4.5977 8.1229 120.1399 54.3404 42.2869 175.3652 30 I 4.8776 8.2903 122.4037 59.8148 38.8667 174.9808 31 L 4.9784 9.0597 127.3831 53.0799 45.4435 175.8030 32 T 4.6575 8.3937 119.0871 62.8404 69.8972 173.7276 33 L 4.4770 8.7297 129.8068 54.7871 42.2163 176.0450 34 L 4.5441 8.7338 126.2043 55.9175 44.1891 176.8078 35 N 4.5994 7.6647 116.8430 52.3663 42.1325 175.0847 36 S 4.1417 8.2148 121.9823 57.8533 63.4252 175.4765 37 T 4.0082 8.3498 114.3397 64.9110 68.8824 174.3724 38 N 4.7794 8.1644 120.4460 52.5610 39.7505 174.9507 39 K 4.3572 8.7819 123.8846 59.1163 33.4485 177.2370 40 D 4.4602 8.1424 118.5157 54.4711 43.1770 176.3927 41 W 5.2448 8.1071 117.0934 54.6978 32.5771 174.8261 42 W 5.4015 9.3654 124.9367 54.9240 31.7874 174.8490 43 K 4.2271 8.9631 125.5157 55.4194 33.1987 175.9049 44 V 4.9692 8.8299 119.7534 59.6571 36.9219 173.6508 45 E 5.0944 9.2677 123.0783 54.4880 32.1315 174.6820 46 V 4.0835 8.7809 126.8395 64.4270 34.1398 177.6989 47 N 3.5675 8.9462 124.0496 54.1482 40.4782 173.5755 48 D 4.8863 8.9914 117.4519 53.9148 42.7737 176.0892 49 R 4.7705 8.2901 119.1933 54.2919 33.0258 174.7496 50 Q 5.0339 8.3076 118.6772 53.8419 31.9764 175.8301 51 G 3.8720 7.8743 107.8732 46.0025 0.0000 171.3145 52 F 5.2963 8.4141 117.9820 56.4335 41.1035 175.9575 53 V 4.9815 8.8427 114.4626 58.6710 36.6807 173.0925 54 P 3.3855 0.0000 0.0000 61.9612 31.4112 177.9485 55 A 2.9117 8.0168 127.7778 54.6571 18.2939 179.4834 56 A 3.8880 7.1152 117.1147 54.7093 18.7610 177.5437 57 Y 4.8974 7.5008 112.8367 58.3699 38.2000 175.3287 58 V 4.9603 7.3309 112.3796 59.2590 35.6962 174.6152 59 K 4.6736 8.6151 122.1423 54.3372 34.9440 175.7023 60 K 4.5180 9.0746 126.9331 56.9919 32.2244 176.7982 61 L 4.5049 8.6656 122.8401 55.0170 43.3132 176.5916 62 D 4.5058 8.0098 122.8174 54.2942 41.0610 176.0907 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 6 K 8.31 4.27 0.00 1.87 1.87 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.46 7.81 7 E 8.34 4.45 0.00 1.90 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 8 L 9.36 5.18 0.00 1.59 1.57 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.86 5.01 2.28 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 0.84 0.00 0.00 1.11 0.00 0.00 10 L 8.77 5.09 0.00 1.74 1.52 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 11 A 9.04 4.60 1.37 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 0.00 0.00 0.00 12 L 8.97 3.87 0.00 1.12 0.92 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.54 4.89 0.00 2.55 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 14 D 8.82 4.85 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.15 4.90 0.00 3.32 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 16 Q 8.05 4.95 0.00 1.76 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 17 E 8.69 4.34 0.00 2.07 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 0.00 2.32 2.32 0.00 18 K 9.58 4.54 0.00 1.88 1.86 0.00 1.84 0.00 0.00 1.83 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.42 7.81 19 S 7.51 4.70 0.00 3.87 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 20 P 0.00 4.31 0.00 2.06 2.16 0.00 3.63 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 2.01 2.06 0.00 21 D 7.75 4.68 0.00 3.21 2.93 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 22 E 7.90 5.39 0.00 2.17 2.25 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 2.50 2.21 0.00 23 V 8.42 4.71 2.15 0.00 0.00 0.00 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 24 T 8.61 5.10 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 25 M 9.16 5.04 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.74 0.00 26 K 9.26 5.06 0.00 1.71 1.75 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.38 7.81 27 K 9.23 4.07 0.00 1.66 1.74 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.35 7.81 28 G 8.93 3.99 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 0.00 0.00 0.00 29 D 8.12 4.60 0.00 2.73 2.63 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 30 I 8.29 4.88 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 1.35 0.85 0.92 0.00 0.00 31 L 9.06 4.98 0.00 1.56 1.72 0.99 0.62 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 32 T 8.39 4.66 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 1.19 0.00 0.00 33 L 8.73 4.48 0.00 1.59 1.60 0.75 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.73 4.54 0.00 1.52 1.60 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.66 4.60 0.00 2.69 2.60 0.00 0.00 6.77 7.63 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 36 S 8.21 4.14 0.00 2.72 2.63 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 37 T 8.35 4.01 4.27 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 1.24 0.00 0.00 38 N 8.16 4.78 0.00 2.87 3.30 0.00 0.00 7.01 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 8.78 4.36 0.00 1.94 2.00 0.00 1.60 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 40 D 8.14 4.46 0.00 2.68 2.38 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 41 W 8.11 5.24 0.00 3.14 3.27 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 42 W 9.37 5.40 0.00 3.27 2.97 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 43 K 8.96 4.23 0.00 1.06 1.41 0.00 1.35 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.06 0.52 7.81 44 V 8.83 4.97 2.12 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 0.80 0.00 0.00 1.02 0.00 0.00 45 E 9.27 5.09 0.00 1.94 1.76 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 2.32 2.34 0.00 46 V 8.78 4.08 2.12 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 1.08 0.00 0.00 0.99 0.00 0.00 47 N 8.95 3.57 0.00 2.79 2.83 0.00 0.00 7.10 8.47 0.00 0.00 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 D 8.99 4.89 0.00 2.69 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.77 0.00 1.84 1.81 0.00 3.08 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 50 Q 8.31 5.03 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.21 2.29 0.00 51 G 7.87 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.41 5.30 0.00 3.04 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.84 4.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.98 0.00 0.00 54 P 0.00 3.39 0.00 0.49 0.53 0.00 2.65 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.62 0.00 55 A 8.02 2.91 -0.02 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 56 A 7.12 3.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.50 4.90 0.00 2.94 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.33 4.96 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.02 0.00 0.00 59 K 8.62 4.67 0.00 1.79 1.61 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.39 7.81 60 K 9.07 4.52 0.00 1.78 1.78 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.50 1.75 7.81 61 L 8.67 4.50 0.00 1.55 1.71 0.93 0.95 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 62 D 8.01 4.51 0.00 2.65 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