NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3682 8.3044 118.1953 54.3596 32.5626 174.2646 2 K 3.7436 8.4905 120.2810 56.3305 32.0875 174.9927 3 R 4.5344 9.0256 127.0284 54.9040 33.1615 176.3408 4 T 3.8777 8.5968 114.8448 66.5483 68.3658 175.0114 5 F 4.7327 8.1000 125.8596 56.5867 38.9432 174.2483 6 Q 4.5333 8.6097 129.1242 53.4328 30.8699 173.3492 7 P 4.7219 0.0000 0.0000 62.4830 32.9077 176.0407 8 S 4.4044 8.0687 109.3067 56.7836 65.5820 177.1923 9 V 3.6619 8.2894 126.7133 66.2530 30.9795 177.1815 10 L 3.9873 7.9247 117.7098 57.2575 41.9052 178.6745 11 K 3.9968 8.0271 117.4713 59.9504 32.2627 178.6544 12 R 4.0049 8.0883 118.3540 60.0903 29.9896 178.0723 13 N 4.4319 8.2967 115.7448 55.2176 38.8740 175.7955 14 R 4.6131 7.1155 118.2714 55.1114 30.6292 175.6310 15 S 4.6010 7.9319 108.7930 58.8733 65.8228 176.4900 16 H 4.7338 8.1320 112.3092 57.0002 31.0274 173.9552 17 G 3.9463 7.9169 108.9737 44.9651 0.0000 175.0132 18 F 4.1692 8.8897 122.3478 60.7359 39.6430 177.1247 19 R 4.2587 8.0664 115.6502 56.3848 30.2554 176.3534 20 A 4.6605 7.4352 118.7119 51.9609 19.6944 177.9054 21 R 4.5681 7.3052 114.9677 54.3909 30.8104 175.3737 22 M 4.3922 7.6397 112.0123 56.3193 34.7921 174.5932 23 A 4.6381 7.7657 116.3677 51.8592 21.8935 176.3245 24 T 4.6224 7.4615 109.9567 59.3397 70.8859 174.0494 25 K 3.7514 8.9069 128.8501 59.7637 32.4486 178.5141 26 N 4.2964 8.2917 115.6545 55.8767 37.8332 177.4161 27 G 3.8192 7.2331 107.7511 44.2644 0.0000 173.6247 28 R 4.6607 7.6547 116.8066 56.2832 37.7400 177.8577 29 Q 4.0062 8.1595 118.5103 58.8114 28.6864 178.6302 30 V 3.5584 7.3941 118.1523 65.9965 31.4029 177.8766 31 L 4.0282 7.8871 116.4834 57.7117 41.8519 178.9439 32 A 4.1581 7.7977 120.1850 56.0995 18.4425 178.9724 33 R 3.7873 8.2850 115.5062 60.0486 31.1059 177.4854 34 R 4.4664 7.8746 118.7629 54.6692 28.3496 174.7987 35 R 4.4905 7.4836 123.5168 57.9996 37.0650 175.7202 36 A 4.2819 7.9915 118.0060 53.0542 18.7896 177.6459 37 K 4.1407 8.0678 115.9954 56.1330 32.7649 177.5729 38 G 3.9061 7.9035 106.2474 45.2923 0.0000 173.2080 39 R 4.1317 7.7097 120.0824 55.8200 30.7373 176.1888 40 A 4.8129 8.3128 130.3180 51.7906 19.0260 176.1024 41 R 4.4489 7.9958 118.0200 55.9151 32.5705 177.3916 42 L 3.7612 7.4858 117.3517 56.5178 39.4623 176.3932 43 T 4.2084 8.7541 117.4818 62.0465 69.3643 174.3974 44 V 3.2783 7.2334 121.0394 63.2952 29.5497 170.8466 45 S 4.6326 7.5550 114.1140 55.7740 65.8905 173.5601 46 K 4.1310 8.6111 125.9187 56.7762 31.9411 176.5226 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 4.37 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.60 0.00 2 K 8.49 3.74 0.00 1.81 1.79 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.60 7.81 3 R 9.03 4.53 0.00 1.87 1.93 0.00 3.45 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 4 T 8.60 3.88 4.30 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 1.20 0.00 0.00 5 F 8.10 4.73 0.00 2.95 2.75 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 6 Q 8.61 4.53 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 7 P 0.00 4.72 0.00 2.29 2.22 0.00 3.86 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 8 S 8.07 4.40 0.00 3.88 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 9 V 8.29 3.66 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 1.09 0.00 0.00 0.96 0.00 0.00 10 L 7.92 3.99 0.00 1.67 1.67 0.93 0.88 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 11 K 8.03 4.00 0.00 1.96 1.91 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.54 7.81 12 R 8.09 4.00 0.00 2.02 2.16 0.00 3.16 0.00 0.00 3.21 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 13 N 8.30 4.43 0.00 3.03 2.90 0.00 0.00 6.94 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 14 R 7.12 4.61 0.00 1.79 1.87 0.00 3.21 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 15 S 7.93 4.60 0.00 3.82 3.50 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 0.00 0.00 0.00 0.00 16 H 8.13 4.73 0.00 3.24 3.25 0.00 5.95 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 17 G 7.92 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 0.00 0.00 0.00 18 F 8.89 4.17 0.00 3.13 3.15 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 0.00 0.00 0.00 0.00 19 R 8.07 4.26 0.00 1.90 1.98 0.00 3.32 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 20 A 7.44 4.66 1.24 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 0.00 0.00 21 R 7.31 4.57 0.00 1.72 1.72 0.00 3.19 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 22 M 7.64 4.39 0.00 1.77 1.87 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 23 A 7.77 4.64 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.46 4.62 4.21 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 1.22 0.00 0.00 25 K 8.91 3.75 0.00 1.85 1.80 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.51 7.81 26 N 8.29 4.30 0.00 2.97 3.04 0.00 0.00 6.14 7.33 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 27 G 7.23 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 28 R 7.65 4.66 0.00 1.90 1.87 0.00 3.10 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.75 0.00 29 Q 8.16 4.01 0.00 2.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 30 V 7.39 3.56 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 0.98 0.00 0.00 0.98 0.00 0.00 31 L 7.89 4.03 0.00 1.78 1.81 0.77 0.89 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 32 A 7.80 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 3.79 0.00 2.03 1.91 0.00 3.13 0.00 0.00 3.22 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 34 R 7.87 4.47 0.00 2.06 2.00 0.00 3.15 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 35 R 7.48 4.49 0.00 1.91 1.96 0.00 3.20 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 36 A 7.99 4.28 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 37 K 8.07 4.14 0.00 1.87 1.91 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 38 G 7.90 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.71 4.13 0.00 1.79 1.86 0.00 3.19 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 40 A 8.31 4.81 1.23 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 0.00 0.00 0.00 41 R 8.00 4.45 0.00 1.99 2.18 0.00 3.09 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 42 L 7.49 3.76 0.00 1.82 1.18 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.75 4.21 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 44 V 7.23 3.28 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 0.73 0.00 0.00 0.99 0.00 0.00 45 S 7.55 4.63 0.00 3.84 3.66 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 46 K 8.61 4.13 0.00 1.76 1.68 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.43 7.81