NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2832 8.3044 120.3271 55.7656 33.4272 173.7361 2 N 4.2820 8.6386 119.4649 51.8266 39.4864 171.6803 3 T 4.6256 8.5147 110.2519 60.8746 69.7790 170.8040 4 Q 3.7229 7.9898 124.9800 56.1248 29.3296 173.7957 5 L 4.6148 9.0064 122.2029 53.3788 44.4280 176.8106 6 M 3.9259 8.7164 126.2457 59.0114 32.0865 178.5441 7 G 3.8181 8.3924 106.5273 47.2870 0.0000 175.2028 8 E 4.0847 8.1590 119.7348 58.7615 29.8689 178.9256 9 R 3.8487 8.2789 119.5081 59.3344 30.1874 178.7387 10 I 3.5980 8.0455 119.5539 64.5621 36.6500 178.2233 11 R 3.9829 8.4134 119.4520 59.6661 29.6761 178.3139 12 A 4.0474 8.5230 120.7240 55.0317 18.5848 179.3481 13 R 3.8294 8.3549 116.6500 59.6793 30.1696 179.0179 14 R 3.8865 8.4313 118.5134 59.4186 29.9635 178.6896 15 K 3.9804 7.7821 117.6700 59.7540 32.4452 178.9236 16 K 3.8889 8.1753 120.3576 59.4395 32.1961 178.4532 17 L 4.1047 8.2319 118.0099 55.1915 41.8807 176.9245 18 K 3.9118 7.7320 116.4051 57.4973 29.3102 176.0457 19 I 4.3201 7.7787 119.8118 59.6197 38.5413 177.1619 20 R 4.1060 8.3698 122.6929 56.1235 31.2747 177.6612 21 Q 3.9976 8.7201 120.5726 59.1814 28.7468 179.0372 22 A 3.9725 8.0071 121.0027 55.0580 18.4636 179.3827 23 A 3.8949 7.8355 118.7636 55.0878 18.5276 179.2006 24 L 3.9651 8.3776 119.4812 58.3603 42.0754 179.0663 25 G 3.8262 8.3701 105.9450 48.0282 0.0000 175.2400 26 K 3.9114 8.0103 121.3035 59.1772 32.2912 178.3436 27 M 4.1947 8.2088 117.9439 58.6309 32.0364 178.7090 28 V 3.8010 7.9762 117.3410 64.0561 32.3560 176.5547 29 G 3.9321 9.0869 105.7128 46.3241 0.0000 172.8862 30 V 4.4863 7.1483 109.5152 58.4640 36.0628 176.2381 31 S 4.1555 8.2786 116.0314 58.1611 63.7099 174.6516 32 N 4.0314 8.9357 122.1038 57.1857 38.5833 176.9191 33 V 3.4727 7.7735 118.5392 65.9008 31.5235 177.5278 34 A 3.5431 7.7814 120.3951 55.0236 18.0888 179.3276 35 I 3.6916 7.3711 117.6997 64.7572 37.1494 178.0393 36 S 4.0904 8.0044 113.5824 61.7724 62.0898 176.3355 37 Q 4.0192 8.3890 120.8035 58.7082 28.3569 178.5838 38 W 4.8062 8.7973 121.9430 59.3401 28.8816 178.3600 39 E 4.2026 8.8802 117.6675 59.6523 28.9312 178.9132 40 R 4.1396 8.2869 117.0232 56.2073 30.3404 176.4779 41 S 3.9143 8.1180 114.0344 59.8610 60.0517 172.7441 42 E 4.2431 8.0402 120.6406 58.5031 29.9209 177.9377 43 T 4.4209 7.5212 107.7609 61.1363 70.4363 173.1059 44 E 4.7190 8.4309 122.1617 53.3197 32.4850 173.5293 45 P 4.2102 0.0000 0.0000 62.4290 32.1391 176.2974 46 N 4.8700 8.7501 119.7770 52.3746 40.5240 176.5833 47 G 3.7503 7.9458 105.0342 47.3677 0.0000 175.6828 48 E 3.9110 8.1045 121.3151 58.8451 29.9812 179.0884 49 N 4.5194 8.1264 115.8562 55.9945 38.6241 177.1032 50 L 3.6573 8.2635 122.2146 57.9346 42.1351 178.9512 51 L 3.8941 8.2668 119.0662 57.8041 41.5920 179.3141 52 A 3.9930 8.3501 120.9515 55.1622 18.3057 179.3143 53 L 3.8979 8.3693 117.6610 58.3272 41.6222 179.8612 54 S 3.9914 8.3328 114.9709 61.6008 62.7204 177.0523 55 K 3.9202 8.3822 120.9987 59.5649 31.6583 179.1504 56 A 4.0295 8.1474 119.8876 54.8435 18.2836 178.4046 57 L 4.3185 8.2692 115.7680 54.4836 43.7573 177.1917 58 Q 3.2170 8.0211 115.3728 55.9427 26.5926 171.8797 59 C 4.5769 7.9673 110.6493 57.6723 33.3586 173.8380 60 S 4.6479 8.1664 114.3189 56.3616 64.3218 173.2503 61 P 4.2700 0.0000 0.0000 65.8432 30.6381 178.5288 62 D 4.3877 7.9431 118.1969 57.3251 40.7246 178.3142 63 Y 4.2367 7.9911 121.2761 60.0229 38.4791 178.0576 64 L 4.3038 7.7284 117.3372 56.6481 42.3948 178.4881 65 L 4.1080 8.0436 118.7696 57.8110 41.7068 179.4575 66 K 4.3195 8.1426 116.9571 58.5138 33.0802 178.3191 67 G 3.8024 8.3304 110.5325 46.4119 0.0000 173.3126 68 D 4.6039 7.1360 131.1609 53.1051 41.3595 177.6789 69 L 4.3909 6.9700 119.8546 55.5118 44.1122 176.1054 70 S 4.3755 8.2577 117.9760 57.5659 65.6067 175.7211 71 Q 4.5169 8.0665 118.2706 55.2376 28.2503 173.0864 72 T 4.0175 8.0477 111.4572 63.4280 70.3870 170.3637 73 N 4.2529 9.4063 118.1927 54.8610 34.9248 174.2839 74 V 3.1714 8.4882 122.7227 63.3951 31.2157 174.0218 75 A 3.7614 8.2925 116.8526 53.7536 16.0934 176.9708 76 Y 4.5780 8.6064 127.3261 57.8149 38.7803 175.9691 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 M 8.30 4.28 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 N 8.64 4.28 0.00 2.93 2.85 0.00 0.00 6.73 6.88 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 3 T 8.51 4.63 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 1.22 0.00 0.00 4 Q 7.99 3.72 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.13 0.00 0.00 0.00 0.00 0.00 2.24 2.62 0.00 5 L 9.01 4.61 0.00 1.64 1.54 0.93 0.85 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 6 M 8.72 3.93 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.62 0.00 7 G 8.39 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 0.00 0.00 0.00 8 E 8.16 4.08 0.00 2.35 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 0.00 2.45 2.64 0.00 9 R 8.28 3.85 0.00 2.06 2.08 0.00 3.25 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 10 I 8.05 3.60 2.07 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.59 0.97 0.00 0.00 11 R 8.41 3.98 0.00 2.00 2.14 0.00 3.13 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 12 A 8.52 4.05 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.35 3.83 0.00 1.92 1.88 0.00 2.21 0.00 0.00 2.77 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 14 R 8.43 3.89 0.00 1.92 1.95 0.00 3.11 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.66 0.00 15 K 7.78 3.98 0.00 2.08 2.07 0.00 1.43 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.74 1.48 7.81 16 K 8.18 3.89 0.00 1.89 2.04 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.53 7.81 17 L 8.23 4.10 0.00 1.72 1.69 0.92 0.91 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 18 K 7.73 3.91 0.00 1.90 1.99 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.55 7.81 19 I 7.78 4.32 1.87 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 1.35 0.52 0.93 0.00 0.00 20 R 8.37 4.11 0.00 2.03 2.06 0.00 2.97 0.00 0.00 3.34 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 21 Q 8.72 4.00 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.41 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 22 A 8.01 3.97 1.30 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 0.00 0.00 0.00 23 A 7.84 3.89 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 24 L 8.38 3.97 0.00 1.75 1.89 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.37 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 0.00 0.00 0.00 26 K 8.01 3.91 0.00 1.74 2.00 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.48 7.81 27 M 8.21 4.19 0.00 1.99 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.56 0.00 28 V 7.98 3.80 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 1.13 0.00 0.00 1.11 0.00 0.00 29 G 9.09 3.93 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 0.00 0.00 0.00 30 V 7.15 4.49 1.72 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 0.78 0.00 0.00 0.64 0.00 0.00 31 S 8.28 4.16 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.94 4.03 0.00 2.77 2.85 0.00 0.00 6.77 7.69 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 33 V 7.77 3.47 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 0.87 0.00 0.00 0.88 0.00 0.00 34 A 7.78 3.54 0.69 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 35 I 7.37 3.69 1.99 0.00 0.00 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 1.41 1.07 1.01 0.00 0.00 36 S 8.00 4.09 0.00 3.85 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 37 Q 8.39 4.02 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 38 W 8.80 4.81 0.00 3.58 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 39 E 8.88 4.20 0.00 2.21 2.30 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 2.56 2.52 0.00 40 R 8.29 4.14 0.00 1.91 2.06 0.00 3.30 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 41 S 8.12 3.91 0.00 4.06 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 42 E 8.04 4.24 0.00 1.99 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 0.00 2.34 2.27 0.00 43 T 7.52 4.42 4.52 0.00 0.00 0.00 0.00 0.00 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 44 E 8.43 4.72 0.00 1.89 1.82 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 2.13 2.21 0.00 45 P 0.00 4.21 0.00 1.63 0.49 0.00 3.44 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.07 0.00 46 N 8.75 4.87 0.00 2.93 3.00 0.00 0.00 6.17 6.99 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 47 G 7.95 3.75 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 0.00 0.00 0.00 48 E 8.10 3.91 0.00 2.02 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 2.39 2.37 0.00 49 N 8.13 4.52 0.00 3.17 2.97 0.00 0.00 6.75 6.85 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 50 L 8.26 3.66 0.00 1.51 1.74 0.74 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.27 3.89 0.00 1.85 1.68 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.35 3.99 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 53 L 8.37 3.90 0.00 1.74 1.59 -0.05 0.97 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 54 S 8.33 3.99 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.38 3.92 0.00 1.88 1.84 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.61 7.81 56 A 8.15 4.03 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 57 L 8.27 4.32 0.00 1.50 1.50 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.02 3.22 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 59 C 7.97 4.58 0.00 2.89 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 60 S 8.17 4.65 0.00 4.26 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.26 2.33 0.00 3.89 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 62 D 7.94 4.39 0.00 2.82 2.77 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 63 Y 7.99 4.24 0.00 3.02 2.90 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 64 L 7.73 4.30 0.00 1.74 1.67 0.86 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.04 4.11 0.00 1.68 1.73 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.14 4.32 0.00 1.92 1.80 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.43 1.54 7.81 67 G 8.33 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 0.00 0.00 0.00 68 D 7.14 4.60 0.00 1.68 2.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.97 4.39 0.00 1.26 1.13 0.98 0.14 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 70 S 8.26 4.38 0.00 3.95 3.64 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 71 Q 8.07 4.52 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 72 T 8.05 4.02 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 1.22 0.00 0.00 73 N 9.41 4.25 0.00 2.78 2.70 0.00 0.00 6.88 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 74 V 8.49 3.17 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 0.71 0.00 0.00 0.99 0.00 0.00 75 A 8.29 3.76 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.61 4.58 0.00 3.13 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