NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 45 K 4.2942 8.3149 121.7883 56.6466 32.6950 174.3499 46 D 4.5008 8.3454 125.5628 54.7723 42.7614 175.5761 47 G 3.9324 7.4366 104.7222 45.4264 0.0000 171.9323 48 D 4.6904 8.3542 125.8136 52.0733 40.7084 177.1686 49 Q 3.4071 8.0993 115.6126 57.2289 26.8735 174.4079 50 C 4.5106 8.2961 113.5444 56.3643 40.6212 173.6146 51 E 4.0162 7.4631 120.1857 57.0702 29.9291 176.3435 52 G 3.2647 7.5476 111.2369 51.0100 0.0000 176.8579 53 H 3.7911 6.0357 110.7607 56.3899 24.9628 172.8489 54 P 4.4978 0.0000 0.0000 64.4720 32.1642 178.0414 55 C 4.5090 7.7112 113.5536 56.6248 40.6451 172.9320 56 L 4.3907 8.4756 122.6333 53.4324 43.8331 175.8504 57 N 4.0978 9.0045 114.1175 56.0401 35.2443 174.0439 58 Q 3.2776 7.7929 109.6670 56.3228 27.2969 174.5795 59 G 3.7935 7.5707 104.6415 46.4182 0.0000 174.5190 60 H 4.9928 8.9280 122.3596 55.6745 30.7148 172.0693 61 C 5.2044 8.3281 113.8125 54.1001 43.7044 173.6949 62 K 4.4888 8.6440 129.8965 56.2507 33.3777 175.9123 63 D 4.8119 8.5223 126.2048 54.2211 44.6959 173.9543 64 G 4.0817 8.0356 109.7641 45.4843 0.0000 173.0404 65 I 4.1282 8.1976 117.6480 60.9446 37.3348 177.2126 66 G 4.4086 7.8037 109.7498 45.8709 0.0000 169.6581 67 D 4.8223 8.4302 128.6612 54.2075 41.2176 174.7845 68 Y 4.5075 7.7647 120.9615 56.4659 40.5105 174.2433 69 T 4.6588 8.3845 107.7797 60.6634 72.3539 173.6943 70 C 5.1802 8.8840 120.9927 56.6496 38.0385 173.3792 71 T 4.6113 8.7925 119.0537 61.9398 70.7975 173.1736 72 C 4.7379 8.7722 124.4045 58.9657 29.3417 174.0797 73 A 4.2366 8.7080 125.3436 51.3806 18.8643 176.2164 74 E 3.9176 8.7231 120.3258 59.3331 29.7036 176.6767 75 G 3.8726 9.3319 114.5304 45.2040 0.0000 172.2847 76 F 5.4449 7.9760 116.7972 55.9466 43.9775 174.4394 77 E 4.2361 9.6323 122.0099 58.3296 32.0876 175.6285 78 G 2.4887 8.4359 103.0426 44.1022 0.0000 173.6761 79 K 3.8044 8.0469 119.2412 58.7257 32.2938 177.0798 80 N 4.8292 7.7981 114.2981 52.6067 38.7957 174.5426 81 C 4.1465 7.9223 113.6023 60.7779 26.4287 174.3779 82 E 4.2114 8.3024 121.9857 58.9828 29.7374 176.7227 83 F 5.1708 8.4874 115.6964 55.2972 40.1282 175.2622 84 S 5.1130 9.1631 117.9516 57.4639 62.6111 173.4663 85 T 3.8046 8.5825 116.5852 64.6506 68.7286 174.0108 86 R 3.9609 7.6394 124.9694 56.0938 30.1296 175.6983 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 45 K 8.31 4.29 0.00 1.73 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 46 D 8.35 4.50 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 7.44 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 48 D 8.35 4.69 0.00 2.79 2.89 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 49 Q 8.10 3.41 0.00 2.42 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.44 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 C 8.30 4.51 0.00 2.80 2.89 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 51 E 7.46 4.02 0.00 2.10 1.79 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 2.27 2.21 0.00 52 G 7.55 3.26 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 0.00 0.00 0.00 0.00 53 H 6.04 3.79 0.00 3.15 3.55 0.00 5.89 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.50 0.00 1.85 2.02 0.00 3.41 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.71 0.00 55 C 7.71 4.51 0.00 3.06 2.99 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 0.00 0.00 0.00 0.00 56 L 8.48 4.39 0.00 1.75 1.54 0.91 0.89 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 57 N 9.00 4.10 0.00 2.55 1.63 0.00 0.00 7.15 7.77 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 58 Q 7.79 3.28 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.16 2.14 0.00 59 G 7.57 3.79 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 0.00 0.00 0.00 60 H 8.93 4.99 0.00 3.06 2.98 0.00 5.60 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.33 5.20 0.00 2.66 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 62 K 8.64 4.49 0.00 1.75 1.65 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.67 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.40 7.81 63 D 8.52 4.81 0.00 2.58 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.04 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 0.00 0.00 0.00 0.00 65 I 8.20 4.13 1.87 0.00 0.00 0.86 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 0.61 0.91 0.00 0.00 66 G 7.80 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 0.00 0.00 0.00 0.00 67 D 8.43 4.82 0.00 2.69 2.40 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 68 Y 7.76 4.51 0.00 3.26 3.07 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 69 T 8.38 4.66 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 1.17 0.00 0.00 70 C 8.88 5.18 0.00 2.94 3.11 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 0.00 0.00 0.00 0.00 71 T 8.79 4.61 4.29 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 1.25 0.00 0.00 72 C 8.77 4.74 0.00 3.03 3.03 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 73 A 8.71 4.24 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 74 E 8.72 3.92 0.00 1.98 1.96 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 2.28 2.33 0.00 75 G 9.33 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 76 F 7.98 5.44 0.00 3.11 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 77 E 9.63 4.24 0.00 2.49 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 0.00 2.45 1.89 0.00 78 G 8.44 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.05 3.80 0.00 1.65 1.78 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.76 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81 80 N 7.80 4.83 0.00 2.69 2.80 0.00 0.00 7.14 7.76 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 81 C 7.92 4.15 0.00 3.27 3.07 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 82 E 8.30 4.21 0.00 1.90 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 83 F 8.49 5.17 0.00 1.82 3.06 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 84 S 9.16 5.11 0.00 3.76 4.05 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 0.00 0.00 0.00 85 T 8.58 3.80 4.12 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 1.20 0.00 0.00 86 R 7.64 3.96 0.00 1.68 1.74 0.00 3.22 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00