NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9988 8.3549 109.7359 45.5140 0.0000 172.5711 0 S 4.5937 8.2653 113.5232 55.0033 67.5386 172.4292 1 S 4.0499 8.6551 118.1433 56.8391 63.9744 175.9553 2 G 3.3537 5.6946 105.4505 45.4977 0.0000 169.6707 3 V 5.1135 8.1470 120.0455 61.3484 34.4636 176.4160 4 R 4.8999 9.5106 126.7277 54.2878 33.2617 174.8332 5 L 5.6069 7.8828 120.7950 54.0674 43.9295 175.3102 6 W 5.0056 9.3263 118.9781 54.8024 33.3539 176.3261 7 A 4.2511 8.9203 123.3565 54.8022 19.1834 177.8374 8 T 4.9976 7.7778 103.2278 58.8624 72.2232 174.8101 9 R 3.8076 8.6074 122.1878 59.3775 29.7012 179.0251 10 Q 3.8793 7.9400 116.8018 58.9214 28.6852 178.1284 11 A 4.1083 7.9308 121.7131 55.1197 18.4098 179.4008 12 M 2.0000 7.4923 116.5264 58.1828 32.3479 178.5469 13 L 3.8345 7.8261 119.3178 57.4459 41.4642 179.6894 14 G 3.7304 7.3931 104.3505 46.5967 0.0000 174.6352 15 Q 4.6240 7.5653 117.9849 55.3139 29.9623 177.6839 16 V 3.4532 7.2071 120.4665 64.8469 31.0856 177.9546 17 H 4.0867 8.2183 115.8211 58.6752 28.6428 175.8571 18 E 4.2301 8.0704 116.2578 56.6851 29.7196 176.4403 19 V 3.8290 7.3346 120.2608 61.0992 32.3392 174.1316 20 P 4.5882 0.0000 0.0000 61.8331 32.2073 175.6102 21 E 4.2662 8.5868 119.8899 58.2103 29.8432 178.4935 22 G 4.0918 9.3047 111.9592 44.7744 0.0000 173.6775 23 W 4.5319 8.1043 120.6620 56.2604 30.4798 176.1701 24 L 5.0143 8.8467 123.8367 54.7604 43.1717 176.0012 25 I 5.4490 9.2240 121.7204 59.8726 41.3555 174.1138 26 F 5.5475 9.7644 129.1050 56.4518 42.9056 173.9814 27 V 4.7310 7.7570 118.5348 59.5287 33.4486 176.5944 28 A 3.8216 8.8186 129.8436 55.2293 18.6277 178.1273 29 E 4.0694 8.2053 115.6300 59.6953 29.5821 178.2811 30 Q 4.1080 7.9171 114.3208 56.2112 29.2908 175.5832 31 E 3.7323 7.4072 116.1490 57.6505 27.7797 173.9760 32 E 4.7012 7.5238 115.9436 54.3835 33.1649 175.4870 33 L 5.3658 8.0035 123.7619 53.6746 45.4975 174.6702 34 Y 5.4898 9.5527 122.6937 56.3331 43.1472 174.1803 35 V 5.0163 8.8962 120.2894 59.8407 34.4239 175.0478 36 R 4.4933 9.2896 125.7734 56.7175 30.9605 175.7025 37 V 4.7059 8.6687 118.8628 59.1361 36.4629 174.2384 38 Q 4.4510 8.7172 121.6215 57.2973 28.8375 175.4992 39 N 4.2151 8.9482 124.0598 52.8798 37.9169 174.2887 40 G 3.9262 6.5781 103.4891 45.9510 0.0000 171.9740 41 F 5.3066 7.4760 113.3733 55.5534 40.7532 173.3572 42 R 4.7469 9.0024 121.5633 54.0919 32.7686 175.3402 43 K 4.5072 8.9789 125.5600 56.5243 33.1567 176.0109 44 V 4.1082 8.5387 127.5302 61.6358 32.6155 175.3936 45 Q 4.0547 8.7403 129.2091 56.0694 29.2213 175.0015 46 L 4.7427 8.2669 124.8216 53.0679 44.4250 175.9492 47 E 4.4400 8.2563 120.1687 54.5192 31.5853 175.8430 48 A 4.1257 8.2431 121.9858 52.3043 18.8460 177.4425 49 R 4.0018 8.3815 120.7979 56.6033 30.7036 176.1776 50 T 4.4046 8.2746 122.0715 61.6264 69.6703 173.1826 51 P 4.4776 0.0000 0.0000 62.0363 32.1218 176.3072 52 L 4.1921 8.1353 120.2557 53.9930 42.2189 175.7615 53 P 4.4113 0.0000 0.0000 62.3933 32.0249 176.9140 54 R 4.1010 8.4537 119.1787 56.6858 29.9444 176.7075 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 8.35 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 0.00 0.00 0.00 0 S 8.27 4.59 0.00 3.85 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 1 S 8.66 4.05 0.00 2.72 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 2 G 5.69 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 0.00 0.00 0.00 3 V 8.15 5.11 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 0.96 0.00 0.00 0.92 0.00 0.00 4 R 9.51 4.90 0.00 1.93 1.09 0.00 3.06 0.00 0.00 2.86 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 5 L 7.88 5.61 0.00 2.08 1.77 1.11 0.94 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 6 W 9.33 5.01 0.00 3.23 2.94 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 0.00 0.00 0.00 7 A 8.92 4.25 1.34 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 0.00 0.00 8 T 7.78 5.00 4.45 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 1.23 0.00 0.00 9 R 8.61 3.81 0.00 2.05 1.92 0.00 3.19 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 10 Q 7.94 3.88 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 11 A 7.93 4.11 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.49 2.00 0.00 1.68 1.47 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.81 0.00 13 L 7.83 3.83 0.00 1.57 1.59 0.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.39 3.73 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 0.00 0.00 0.00 15 Q 7.57 4.62 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 16 V 7.21 3.45 1.67 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 0.68 0.00 0.00 0.59 0.00 0.00 17 H 8.22 4.09 0.00 3.10 3.42 0.00 5.89 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.07 4.23 0.00 2.10 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 2.32 2.25 0.00 19 V 7.33 3.83 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.09 0.00 0.00 20 P 0.00 4.59 0.00 2.50 2.05 0.00 2.86 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 21 E 8.59 4.27 0.00 2.12 1.95 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 2.54 2.38 0.00 22 G 9.30 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 23 W 8.10 4.53 0.00 3.46 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 5.01 0.00 1.75 1.72 0.94 0.56 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 25 I 9.22 5.45 2.08 0.00 0.00 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 1.42 0.93 0.89 0.00 0.00 26 F 9.76 5.55 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.76 4.73 2.01 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 0.79 0.00 0.00 0.94 0.00 0.00 28 A 8.82 3.82 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 29 E 8.21 4.07 0.00 1.99 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 2.34 0.00 30 Q 7.92 4.11 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 31 E 7.41 3.73 0.00 2.17 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 2.46 2.45 0.00 32 E 7.52 4.70 0.00 1.86 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.43 0.00 33 L 8.00 5.37 0.00 1.90 1.46 1.17 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 9.55 5.49 0.00 2.89 3.14 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 35 V 8.90 5.02 2.19 0.00 0.00 0.00 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 1.03 0.00 0.00 36 R 9.29 4.49 0.00 2.09 2.12 0.00 3.44 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.76 0.00 37 V 8.67 4.71 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 0.82 0.00 0.00 1.00 0.00 0.00 38 Q 8.72 4.45 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 39 N 8.95 4.22 0.00 2.86 2.84 0.00 0.00 7.08 7.98 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 40 G 6.58 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 41 F 7.48 5.31 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 42 R 9.00 4.75 0.00 1.83 1.91 0.00 3.15 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 K 8.98 4.51 0.00 1.99 1.76 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 1.02 7.81 44 V 8.54 4.11 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 0.77 0.00 0.00 0.98 0.00 0.00 45 Q 8.74 4.05 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 46 L 8.27 4.74 0.00 1.65 1.55 1.02 0.98 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 47 E 8.26 4.44 0.00 1.95 1.91 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 2.25 2.29 0.00 48 A 8.24 4.13 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 49 R 8.38 4.00 0.00 1.81 1.87 0.00 3.26 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 50 T 8.27 4.40 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 51 P 0.00 4.48 0.00 2.04 1.99 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 52 L 8.14 4.19 0.00 1.63 1.60 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.41 0.00 2.03 1.98 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 54 R 8.45 4.10 0.00 1.80 1.85 0.00 3.24 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00