NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7139 8.4249 118.2178 52.5614 39.1895 174.0216 3 Q 4.2974 7.7032 117.5657 55.7310 28.8860 175.7208 4 G 3.7620 8.8597 108.1880 47.1729 0.0000 174.7047 5 K 4.3490 7.7494 118.7757 56.1482 32.8511 177.9976 6 I 3.3112 7.7217 121.4741 63.6907 37.7662 176.9428 7 W 5.3493 7.8284 116.8021 56.4755 28.8775 176.8305 8 T 4.3360 7.9952 110.2648 62.6968 68.8990 175.9733 9 V 4.2402 7.6536 113.4136 60.9991 34.3243 175.6187 10 V 4.2622 8.0209 120.4904 60.7821 32.9654 174.0736 11 N 4.8839 8.7755 125.7336 52.6705 39.7021 173.8920 12 P 4.1027 0.0000 0.0000 65.5493 31.1467 178.0403 13 A 3.9447 8.1923 120.3174 54.8813 18.4222 179.0175 14 I 4.1644 7.5899 117.3138 63.8831 37.8424 178.5286 15 G 3.8963 8.5817 106.9940 47.6820 0.0000 176.0536 16 I 3.7139 7.7451 122.0559 63.8304 37.1070 176.5671 17 P 4.2158 0.0000 0.0000 65.6818 31.1686 178.4954 18 A 4.0336 8.2752 119.5683 54.8220 18.1585 179.4690 19 L 3.9368 8.3818 119.2771 58.4922 42.2906 179.2490 20 L 4.1218 8.2236 119.1510 57.6557 41.5445 179.8126 21 G 3.6245 8.4889 106.0847 48.0072 0.0000 176.0163 22 S 4.1807 8.2358 117.8566 61.0998 62.7774 176.8780 23 V 3.5974 8.1740 121.3592 66.3727 31.2174 178.1505 24 T 3.8686 7.9017 115.4132 66.7224 68.2859 176.7151 25 V 3.6240 7.8688 120.0524 66.0252 31.4750 178.1928 26 I 3.7053 8.1103 119.5055 64.1849 36.9096 177.9249 27 A 4.0777 8.1811 121.8157 55.5632 18.1101 179.6620 28 I 3.6994 8.1309 118.2938 64.6844 37.2173 178.7438 29 L 4.0099 8.1464 119.7583 57.6428 41.3698 179.7384 30 V 3.5850 8.2781 118.6247 66.3661 31.4413 177.6544 31 H 4.2874 8.5426 116.0260 59.1560 28.6253 177.8210 32 L 3.9450 8.3773 120.6219 57.5088 41.1957 179.3918 33 A 3.9830 8.2984 120.2029 55.3708 18.7676 179.4506 34 I 3.7112 7.9472 118.4237 64.3592 36.9186 178.2818 35 L 3.4183 7.8306 120.3892 58.2352 41.8106 178.9590 36 S 4.2539 7.6903 113.6207 60.2585 62.8421 174.7191 37 H 4.7609 7.5488 116.6395 55.1942 29.2287 173.2098 38 T 4.6005 7.3085 108.6028 60.0243 71.8913 173.5489 39 T 4.2468 8.1449 111.2331 62.9361 70.1159 177.0273 40 W 4.4345 7.8605 119.8871 58.9825 28.2225 178.2276 41 F 4.3438 7.1704 121.8223 60.8940 38.7117 175.3138 42 P 4.0482 0.0000 0.0000 65.5071 31.1398 178.4747 43 A 4.0888 8.1774 119.5525 55.0230 18.0315 178.8743 44 Y 4.3751 8.1930 117.4828 61.1287 38.9983 178.4036 45 W 4.3463 7.9438 118.2809 59.7797 29.1717 178.0915 46 Q 4.1378 8.5445 119.3171 58.7765 29.0800 177.8458 47 G 3.6921 9.2771 109.1484 47.3214 0.0000 174.7202 48 G 4.0141 8.9841 107.2672 45.9048 0.0000 174.6913 49 V 3.9821 7.0829 119.9904 60.5281 29.6324 175.9767 50 K 4.0636 7.7311 127.5915 57.7850 32.5350 179.8606 51 K 4.8148 7.9219 125.1330 55.2053 37.1474 176.2120 52 A 4.6921 8.0908 123.1785 52.1035 19.3563 176.3531 53 A 4.1773 8.8903 119.8700 54.3516 18.3356 177.3975 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 2 N 8.42 4.71 0.00 2.84 2.99 0.00 0.00 6.02 6.50 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 3 Q 7.70 4.30 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.96 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 4 G 8.86 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 5 K 7.75 4.35 0.00 1.75 1.81 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.34 7.81 6 I 7.72 3.31 1.53 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.49 -0.65 0.00 0.00 7 W 7.83 5.35 0.00 3.35 3.18 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 8 T 8.00 4.34 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 1.28 0.00 0.00 9 V 7.65 4.24 2.06 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 0.70 0.00 0.00 0.93 0.00 0.00 10 V 8.02 4.26 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 1.15 0.00 0.00 0.85 0.00 0.00 11 N 8.78 4.88 0.00 2.86 2.77 0.00 0.00 6.97 7.71 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 12 P 0.00 4.10 0.00 1.88 1.50 0.00 3.83 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 13 A 8.19 3.94 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 14 I 7.59 4.16 1.94 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 1.61 0.91 0.95 0.00 0.00 15 G 8.58 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 0.00 0.00 0.00 16 I 7.75 3.71 1.80 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.36 0.79 0.00 0.00 17 P 0.00 4.22 0.00 2.16 2.10 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.13 0.00 18 A 8.28 4.03 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 3.94 0.00 1.97 1.95 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.22 4.12 0.00 1.74 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.49 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 22 S 8.24 4.18 0.00 4.10 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 23 V 8.17 3.60 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 1.14 0.00 0.00 1.01 0.00 0.00 24 T 7.90 3.87 4.40 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 1.23 0.00 0.00 25 V 7.87 3.62 2.23 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 1.05 0.00 0.00 1.00 0.00 0.00 26 I 8.11 3.71 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 1.48 0.68 0.94 0.00 0.00 27 A 8.18 4.08 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.13 3.70 2.04 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 1.55 0.78 0.95 0.00 0.00 29 L 8.15 4.01 0.00 1.90 1.74 0.94 0.71 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 30 V 8.28 3.59 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 1.10 0.00 0.00 0.99 0.00 0.00 31 H 8.54 4.29 0.00 3.54 3.57 0.00 5.87 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 L 8.38 3.94 0.00 1.83 1.72 0.95 1.30 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 33 A 8.30 3.98 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.71 1.93 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 1.36 1.00 0.69 0.00 0.00 35 L 7.83 3.42 0.00 0.93 1.66 -0.45 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.69 4.25 0.00 3.92 3.74 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 0.00 0.00 0.00 37 H 7.55 4.76 0.00 3.20 3.22 0.00 5.60 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.31 4.60 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 39 T 8.14 4.25 4.28 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 0.00 0.00 1.21 0.00 0.00 40 W 7.86 4.43 0.00 3.47 3.35 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 41 F 7.17 4.34 0.00 2.01 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 42 P 0.00 4.05 0.00 2.16 2.00 0.00 3.55 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 43 A 8.18 4.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.19 4.38 0.00 3.24 3.55 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 45 W 7.94 4.35 0.00 3.44 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 46 Q 8.54 4.14 0.00 2.23 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.98 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 47 G 9.28 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 48 G 8.98 4.01 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 0.00 49 V 7.08 3.98 2.13 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 0.78 0.00 0.00 0.96 0.00 0.00 50 K 7.73 4.06 0.00 1.76 1.72 0.00 1.59 0.00 0.00 1.91 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.53 7.81 51 K 7.92 4.81 0.00 1.69 1.72 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.33 1.34 7.81 52 A 8.09 4.69 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 53 A 8.89 4.18 1.25 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 0.00 0.00 0.00 0.00 0.00