NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3362 8.1233 122.4569 51.7551 20.6241 175.5266 2 D 4.4894 8.5737 121.6996 53.8755 41.0362 175.6100 3 C 4.5387 9.4880 123.1710 58.9136 40.4083 173.7902 4 A 4.4381 7.2064 116.3621 51.0881 22.0907 175.8936 5 K 4.9516 7.8929 122.0893 54.9571 33.8807 175.3089 6 G 4.0594 7.7226 115.2735 46.1237 0.0000 170.2490 7 K 4.7387 8.7389 120.4542 55.4825 33.1720 176.7402 8 I 3.9543 8.1439 123.4188 61.4747 37.2324 175.8095 9 E 4.3120 9.1295 127.1353 58.7189 29.3367 177.1537 10 F 5.2546 7.4555 112.5304 55.4516 41.9664 172.3471 11 S 5.3582 8.8906 113.2810 56.8151 66.5289 173.3841 12 K 4.4399 8.2564 121.5386 55.2569 35.4307 174.1343 13 Y 4.6634 8.7358 129.5113 57.4837 39.6364 174.3424 14 N 4.7452 8.5513 124.4074 51.7903 40.4957 175.6923 15 E 3.8567 9.0412 123.0867 59.7403 29.5434 177.8759 16 D 4.5234 7.8764 113.9760 53.3443 39.3680 176.5428 17 D 4.1902 8.2318 118.4173 54.9425 39.3249 174.0812 18 T 4.4496 7.2868 109.9544 61.1801 71.0107 173.1820 19 F 5.3362 9.2116 123.8473 56.7280 42.7356 173.6185 20 T 5.3919 8.5638 122.3489 61.9497 71.1836 173.4156 21 V 4.7621 8.7830 119.6103 59.3280 35.2846 174.5840 22 K 4.7332 8.1203 125.9171 54.7184 33.9568 175.0072 23 V 4.4120 8.7254 127.6873 61.4617 34.6962 174.6621 24 D 4.1516 9.5118 125.9959 55.4634 39.1087 173.9980 25 G 3.9592 9.0366 104.7741 45.8156 0.0000 172.4901 26 K 4.6164 7.7270 118.6055 54.3828 36.3092 174.8123 27 E 4.9481 8.6970 122.5429 54.9568 32.0033 174.8570 28 Y 5.4102 9.0968 120.9823 56.1495 43.2104 174.1136 29 W 6.3000 8.9158 117.4068 54.1634 32.0579 173.8872 30 T 4.7783 8.9827 116.1515 59.2954 69.8704 174.0949 31 S 4.7528 8.7196 120.8119 58.3702 63.8007 174.9495 32 R 4.1460 7.9192 122.6326 54.7381 28.6201 176.8410 33 W 4.4221 8.5480 122.0507 59.3704 27.7350 177.5516 34 N 3.6183 6.8610 116.7225 56.0418 38.5855 176.1704 35 L 4.1362 8.0171 120.6562 56.9638 41.6589 178.6978 36 Q 3.1043 7.5752 118.2921 58.6070 28.6555 177.5831 37 P 4.2305 0.0000 0.0000 65.8379 31.3255 178.3457 38 L 3.8575 7.7663 118.3080 57.4531 41.4958 179.3416 39 L 4.2340 8.5156 119.2536 57.9195 41.7392 178.9562 40 L 4.1144 8.2764 120.6463 58.7253 41.9832 179.3188 41 S 4.1770 8.3866 114.5901 61.5057 62.7121 176.2067 42 A 4.0787 8.2240 123.5454 55.2047 18.1558 179.0391 43 Q 3.9569 8.4902 117.4297 59.7829 28.9303 179.5278 44 L 4.2871 7.9466 118.0787 56.6584 41.8077 178.2967 45 T 4.5357 7.6587 106.7226 60.2510 69.9686 173.9109 46 G 3.7647 7.8161 107.9372 47.1022 0.0000 173.8853 47 M 4.4424 7.9477 117.8875 55.3351 33.5371 176.6420 48 T 4.7477 8.4227 116.8869 62.2402 70.9323 174.5051 49 V 4.7369 8.8803 119.0905 59.7164 35.7446 174.7093 50 T 4.6610 8.4001 120.9862 61.9171 70.7978 173.4987 51 I 3.9983 7.9755 128.5621 60.0245 38.3108 175.1057 52 K 4.7728 7.6215 126.9363 54.7704 33.9098 175.8886 53 S 4.4607 8.1256 116.1617 58.0653 65.5979 176.6785 54 S 4.1950 9.1569 121.2719 61.0268 62.7590 174.9335 55 T 4.5559 7.7014 109.9784 60.2922 69.7812 173.7509 56 C 4.8482 8.7687 123.8361 56.7679 34.9172 173.2421 57 E 4.4218 8.0050 120.2191 55.0961 30.0597 176.0341 58 S 3.6849 8.3884 118.5648 59.7152 62.6818 174.1010 59 G 4.0731 10.4478 115.9052 45.0560 0.0000 173.5688 60 S 4.5583 7.7458 115.8018 58.0324 64.3474 174.1257 61 G 2.8054 8.2115 109.2354 45.7120 0.0000 172.3608 62 F 4.8371 7.9126 113.6744 56.0438 41.6444 175.1496 63 A 4.1638 8.1270 118.9988 52.0967 19.7218 175.4433 64 E 4.9031 8.2821 119.8806 55.9701 33.2077 174.7805 65 V 4.6461 8.3326 124.6369 60.7705 34.3334 172.7437 66 Q 4.5533 8.7101 126.3409 54.6344 31.1436 174.1228 67 F 5.1090 8.8956 123.9505 56.0702 41.3433 174.3350 68 N 5.0872 8.9421 121.2179 51.5922 41.6653 175.2393 69 N 4.5900 8.8064 117.2314 52.7465 39.6547 174.4043 70 D 4.7623 8.0711 121.4961 55.5401 42.1986 172.9859 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 8.12 4.34 1.23 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 0.00 0.00 0.00 2 D 8.57 4.49 0.00 2.58 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.49 4.54 0.00 2.31 2.83 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 4 A 7.21 4.44 1.12 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 0.00 0.00 5 K 7.89 4.95 0.00 1.62 1.62 0.00 1.58 0.00 0.00 2.32 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.19 7.81 6 G 7.72 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.74 4.74 0.00 1.76 1.76 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.45 7.81 8 I 8.14 3.95 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.46 1.05 0.00 0.00 9 E 9.13 4.31 0.00 1.69 2.05 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 2.35 2.22 0.00 10 F 7.46 5.25 0.00 3.04 3.15 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 0.00 0.00 0.00 0.00 11 S 8.89 5.36 0.00 3.62 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 12 K 8.26 4.44 0.00 1.91 1.64 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.37 7.81 13 Y 8.74 4.66 0.00 3.29 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 14 N 8.55 4.75 0.00 2.62 2.69 0.00 0.00 6.21 7.50 0.00 0.00 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 E 9.04 3.86 0.00 1.88 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 2.28 2.38 0.00 16 D 7.88 4.52 0.00 2.69 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 17 D 8.23 4.19 0.00 2.79 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.29 4.45 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 19 F 9.21 5.34 0.00 3.17 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 20 T 8.56 5.39 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 1.31 0.00 0.00 21 V 8.78 4.76 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.04 0.00 0.00 22 K 8.12 4.73 0.00 0.90 0.83 0.00 1.41 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.17 7.81 23 V 8.73 4.41 2.02 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 0.89 0.00 0.00 0.85 0.00 0.00 24 D 9.51 4.15 0.00 2.76 2.61 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 25 G 9.04 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 26 K 7.73 4.62 0.00 1.84 1.45 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.56 7.81 27 E 8.70 4.95 0.00 1.69 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 2.07 2.16 0.00 28 Y 9.10 5.41 0.00 2.64 2.78 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 0.00 0.00 0.00 29 W 8.92 6.30 0.00 3.52 3.24 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 0.00 30 T 8.98 4.78 2.91 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 1.25 0.00 0.00 31 S 8.72 4.75 0.00 4.15 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 0.00 32 R 7.92 4.15 0.00 1.68 1.70 0.00 3.17 0.00 0.00 3.05 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 33 W 8.55 4.42 0.00 3.72 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 6.86 3.62 0.00 1.58 2.38 0.00 0.00 7.03 7.78 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 35 L 8.02 4.14 0.00 1.79 1.72 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.58 3.10 0.00 2.08 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 1.51 2.23 0.00 37 P 0.00 4.23 0.00 2.23 2.31 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 38 L 7.77 3.86 0.00 1.81 1.35 0.73 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.52 4.23 0.00 1.92 2.03 1.26 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.28 4.11 0.00 1.90 1.76 1.17 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.39 4.18 0.00 4.09 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 42 A 8.22 4.08 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.49 3.96 0.00 2.24 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 44 L 7.95 4.29 0.00 2.03 1.76 0.96 0.83 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 45 T 7.66 4.54 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 1.28 0.00 0.00 46 G 7.82 3.76 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 0.00 0.00 0.00 47 M 7.95 4.44 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.73 0.00 48 T 8.42 4.75 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 1.17 0.00 0.00 49 V 8.88 4.74 1.60 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 0.61 0.00 0.00 0.82 0.00 0.00 50 T 8.40 4.66 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 1.11 0.00 0.00 51 I 7.98 4.00 1.02 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.39 -0.57 0.00 0.00 52 K 7.62 4.77 0.00 1.51 1.62 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 1.24 7.81 53 S 8.13 4.46 0.00 3.71 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.16 4.20 0.00 3.88 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 55 T 7.70 4.56 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 56 C 8.77 4.85 0.00 2.99 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 57 E 8.01 4.42 0.00 2.10 1.87 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 2.39 2.37 0.00 58 S 8.39 3.68 0.00 3.57 3.65 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 59 G 10.45 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 60 S 7.75 4.56 0.00 4.06 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 61 G 8.21 2.81 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 62 F 7.91 4.84 0.00 3.07 2.85 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 63 A 8.13 4.16 1.10 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 0.00 0.00 0.00 0.00 0.00 64 E 8.28 4.90 0.00 2.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 65 V 8.33 4.65 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 0.81 0.00 0.00 0.35 0.00 0.00 66 Q 8.71 4.55 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 67 F 8.90 5.11 0.00 2.90 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 68 N 8.94 5.09 0.00 2.72 2.70 0.00 0.00 6.16 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.81 4.59 0.00 2.67 2.82 0.00 0.00 6.97 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 70 D 8.07 4.76 0.00 2.86 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