NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3434 8.2649 123.5812 51.9099 21.1320 177.2375 3 K 4.1978 7.6940 117.0413 55.8260 33.6711 174.3420 4 H 4.1696 8.8605 117.8307 59.3935 29.6333 173.4540 5 P 4.3908 0.0000 0.0000 62.6014 31.3708 175.7447 6 V 4.4382 7.9562 122.0959 60.3081 34.5864 172.2198 7 P 4.3830 0.0000 0.0000 62.3668 31.6880 176.5901 8 K 4.1647 8.6889 124.8431 58.7036 32.5794 177.1306 9 K 4.5218 7.5741 115.7997 53.9432 35.9556 175.2192 10 K 3.8192 8.7641 124.0410 56.6193 31.9666 176.4828 11 T 3.9342 8.4612 117.2365 61.6378 69.1586 174.8206 12 S 4.2627 8.5811 120.5045 58.1138 64.9551 175.3458 13 K 3.8136 8.7991 123.9497 60.3103 32.1735 179.1868 14 A 3.9028 7.8781 121.1141 55.1018 18.2710 179.4269 15 R 3.8640 7.7786 115.7560 59.3349 30.4662 178.4527 16 R 4.0104 8.2633 118.8261 59.6753 29.8262 178.1164 17 D 4.3780 8.0988 118.4034 57.4098 40.5603 178.7881 18 A 3.9853 7.6712 119.9462 55.1280 18.6787 179.1129 19 R 4.0703 7.8493 116.6678 59.5780 29.5657 178.4033 20 R 4.4994 7.6148 116.0051 56.7050 29.9809 178.9990 21 S 4.0327 8.0441 113.8930 62.0201 62.1833 175.1330 22 H 4.5087 7.9558 115.0524 56.9383 28.8488 176.7913 23 H 3.8371 7.7052 118.8358 58.4851 29.9063 175.6068 24 A 4.0350 7.1948 121.6007 52.3390 18.5320 177.4958 25 L 4.4148 8.2247 121.8647 54.4527 42.9950 176.2593 26 T 4.6628 7.9805 108.5412 59.2374 71.3793 172.0152 27 P 4.3291 0.0000 0.0000 61.9196 31.8441 174.3644 28 P 4.4841 0.0000 0.0000 62.9263 32.0611 175.0762 29 I 4.5813 8.0142 119.3170 59.7267 38.8576 175.2326 30 L 5.0836 8.3762 124.8148 53.5023 46.1600 175.8966 31 V 4.6027 8.9854 112.8619 59.0396 36.4469 173.1015 32 P 4.8438 0.0000 0.0000 63.1373 31.6738 175.9678 33 C 4.6840 8.4330 119.4946 56.2990 30.9941 172.2144 34 P 4.5249 0.0000 0.0000 65.9049 32.6226 178.1132 35 E 4.3885 8.1048 118.1448 55.9800 27.8112 179.7220 36 C 4.3581 9.0345 132.8981 59.7658 32.2772 172.6058 37 K 3.9749 8.4386 120.7854 56.9499 32.3009 176.4194 38 A 4.1033 7.2814 120.3518 53.7700 19.7155 176.9775 39 M 4.4415 8.5254 119.6440 54.0951 32.5846 176.0003 40 K 4.5710 8.8833 124.5807 54.4332 34.3143 174.8870 41 P 4.8048 0.0000 0.0000 61.8522 32.0992 174.4541 42 P 4.1166 0.0000 0.0000 64.6918 32.2506 175.6729 43 H 3.9781 8.6881 116.5740 56.3435 25.5958 173.9808 44 T 4.3742 6.9837 112.6740 62.7051 73.2263 175.1890 45 V 3.6218 7.5652 125.8338 64.1287 32.5919 174.5932 46 C 4.8931 7.8946 115.6354 58.2442 32.5925 172.3316 47 P 4.5189 0.0000 0.0000 63.7175 31.5910 175.6362 48 E 3.9491 8.9549 118.3289 57.2076 28.0888 174.2411 49 C 4.7776 7.9787 111.4909 60.0897 36.1519 175.5096 50 G 3.8486 9.1886 106.4211 46.4067 0.0000 169.9853 51 Y 4.7239 7.8313 119.3211 57.7599 41.7439 173.3347 52 Y 4.6576 6.2971 115.9331 56.0763 41.0596 174.7555 53 A 4.1046 8.7931 123.4350 52.9511 18.8149 177.1642 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 A 8.26 4.34 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 3 K 7.69 4.20 0.00 1.81 1.69 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.51 7.81 4 H 8.86 4.17 0.00 3.12 3.41 0.00 5.90 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.39 0.00 2.18 2.09 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 6 V 7.96 4.44 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 0.81 0.00 0.00 0.98 0.00 0.00 7 P 0.00 4.38 0.00 2.08 1.98 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 8 K 8.69 4.16 0.00 1.70 1.83 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.57 4.52 0.00 1.72 1.63 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.36 7.81 10 K 8.76 3.82 0.00 1.71 1.77 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 T 8.46 3.93 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 12 S 8.58 4.26 0.00 4.07 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.80 3.81 0.00 2.00 2.13 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.52 7.81 14 A 7.88 3.90 1.33 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 0.00 0.00 15 R 7.78 3.86 0.00 1.84 2.12 0.00 3.27 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 16 R 8.26 4.01 0.00 1.90 2.08 0.00 3.15 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 17 D 8.10 4.38 0.00 2.87 2.71 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 0.00 0.00 0.00 0.00 18 A 7.67 3.99 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 0.00 0.00 0.00 0.00 0.00 19 R 7.85 4.07 0.00 1.94 2.16 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 20 R 7.61 4.50 0.00 2.02 1.88 0.00 3.15 0.00 0.00 3.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 21 S 8.04 4.03 0.00 4.03 3.67 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 22 H 7.96 4.51 0.00 3.29 3.32 0.00 5.87 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.71 3.84 0.00 3.17 3.33 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.19 4.03 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.22 4.41 0.00 1.66 1.67 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.98 4.66 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 27 P 0.00 4.33 0.00 2.20 2.10 0.00 3.77 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 1.99 1.96 0.00 28 P 0.00 4.48 0.00 2.20 2.10 0.00 3.73 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 1.99 1.99 0.00 29 I 8.01 4.58 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 0.92 0.92 0.00 0.00 30 L 8.38 5.08 0.00 1.46 1.50 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.99 4.60 2.10 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 0.73 0.00 0.00 0.98 0.00 0.00 32 P 0.00 4.84 0.00 1.95 2.01 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 33 C 8.43 4.68 0.00 3.23 2.98 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 34 P 0.00 4.52 0.00 2.23 2.27 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 35 E 8.10 4.39 0.00 2.02 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 2.67 2.41 0.00 36 C 9.03 4.36 0.00 2.97 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 37 K 8.44 3.97 0.00 1.77 1.81 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.44 7.81 38 A 7.28 4.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.53 4.44 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 40 K 8.88 4.57 0.00 1.71 1.70 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.40 7.81 41 P 0.00 4.80 0.00 2.06 2.04 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 42 P 0.00 4.12 0.00 2.14 2.09 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 43 H 8.69 3.98 0.00 3.28 3.34 0.00 5.74 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 6.98 4.37 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 1.12 0.00 0.00 45 V 7.57 3.62 1.93 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 0.71 0.00 0.00 0.58 0.00 0.00 46 C 7.89 4.89 0.00 2.95 2.72 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 0.00 0.00 0.00 0.00 47 P 0.00 4.52 0.00 2.26 2.16 0.00 3.88 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 48 E 8.95 3.95 0.00 2.10 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 0.00 2.19 2.38 0.00 49 C 7.98 4.78 0.00 3.13 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 50 G 9.19 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 0.00 0.00 0.00 51 Y 7.83 4.72 0.00 2.73 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 6.30 4.66 0.00 2.89 2.68 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 0.00 0.00 0.00 0.00 53 A 8.79 4.10 1.41 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 0.00 0.00 0.00