NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3777 8.3049 118.1959 54.2658 32.5135 174.7632 2 K 3.6405 8.5673 119.1677 56.7171 31.8501 175.9342 3 R 4.3965 8.5330 123.4785 55.2334 32.1542 177.3103 4 T 3.6099 8.4703 113.4710 63.7690 67.4456 173.8863 5 W 4.7445 7.5741 130.4463 55.7429 30.4452 173.9260 6 Q 4.0774 7.7396 123.4092 52.6330 28.1796 174.1048 7 P 3.1561 0.0000 0.0000 62.5056 32.2034 176.9335 8 N 4.4146 7.9921 116.4530 51.7256 41.6574 175.2333 9 R 3.9424 8.5827 127.9653 59.4536 30.4246 178.7456 10 R 3.8686 7.9586 117.7275 59.3144 30.2046 177.9670 11 K 3.8294 8.0399 118.7393 59.6207 32.1800 178.0444 12 R 4.0254 8.1042 118.4480 59.8665 30.0336 178.3914 13 A 4.1454 8.2172 119.9237 54.3373 18.1543 178.6851 14 K 4.3012 7.7884 116.5239 57.3136 32.6441 176.8767 15 T 4.5589 7.7484 105.8760 61.9423 69.8013 173.9705 16 H 4.8707 8.4020 116.4059 55.0894 31.6130 173.7554 17 G 4.4583 7.8614 108.6433 44.4738 0.0000 174.4576 18 F 4.0040 8.9452 121.4883 61.2566 39.0012 177.7061 19 R 4.0636 8.1366 116.2922 59.2673 29.9119 178.4017 20 A 4.1440 7.9631 120.1166 55.0832 18.3355 179.6979 21 R 3.8260 8.0891 116.6842 59.7554 29.9299 179.2247 22 M 3.9836 7.4867 116.5712 57.5952 31.9072 178.6566 23 R 3.9372 7.3517 118.2522 58.7148 31.0607 176.5234 24 T 4.2885 7.2654 113.4353 60.4054 68.4765 173.5092 25 P 4.3721 0.0000 0.0000 65.9645 31.0376 179.0234 26 G 3.8027 8.0359 104.4066 47.0634 0.0000 175.7386 27 G 3.8686 7.7400 108.9070 47.4233 0.0000 175.9578 28 R 3.8792 8.0380 120.9584 58.5849 29.9774 178.9285 29 K 3.8642 7.6780 118.2075 59.6361 32.0770 178.9625 30 V 3.6191 7.7524 118.4106 65.7317 31.2911 178.0790 31 L 3.9367 7.6565 118.4438 57.4795 41.5409 178.9176 32 K 3.8820 7.9391 119.5400 59.7214 32.0977 178.7388 33 R 3.8874 7.8843 117.9346 59.4144 30.1243 178.9658 34 R 3.9280 8.3499 118.0082 59.6775 29.7322 179.4026 35 R 3.9713 8.7456 117.9647 59.3340 29.8669 178.9577 36 Q 4.0362 8.3250 118.5703 59.0465 29.1193 177.8555 37 K 4.1537 8.5059 120.3846 57.6404 32.3184 177.4571 38 G 4.1171 7.7050 105.4082 45.4887 0.0000 173.8350 39 R 4.0882 7.4718 117.4545 55.7968 30.5260 177.5881 40 W 4.5792 8.6381 120.3604 58.5611 29.8757 176.9587 41 R 4.5691 7.7193 116.6680 54.1030 31.1046 175.4690 42 L 4.2726 8.4930 123.2134 57.0186 42.0539 177.6713 43 T 4.6490 7.4413 110.6462 59.6520 70.5466 171.3195 44 P 4.2062 0.0000 0.0000 63.0726 31.8601 176.2215 45 A 4.2310 8.3916 125.1221 52.1420 19.1131 177.5273 46 V 4.2758 8.0007 119.8066 62.1038 33.4054 175.5971 47 R 4.3845 8.1718 128.9518 52.7508 28.7210 176.6521 48 K 3.9753 7.8581 121.7197 57.1017 32.4063 174.1724 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 4.38 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 2 K 8.57 3.64 0.00 1.85 1.83 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 R 8.53 4.40 0.00 1.89 1.92 0.00 3.33 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.59 0.00 4 T 8.47 3.61 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 1.29 0.00 0.00 5 W 7.57 4.74 0.00 3.24 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 6 Q 7.74 4.08 0.00 1.85 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 7 P 0.00 3.16 0.00 1.84 1.89 0.00 3.35 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.58 0.00 8 N 7.99 4.41 0.00 2.60 2.52 0.00 0.00 7.03 7.65 0.00 0.00 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 R 8.58 3.94 0.00 1.90 1.99 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 10 R 7.96 3.87 0.00 1.87 1.93 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 8.04 3.83 0.00 1.89 1.97 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.63 7.81 12 R 8.10 4.03 0.00 2.20 2.16 0.00 3.45 0.00 0.00 3.44 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 13 A 8.22 4.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 4.30 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 15 T 7.75 4.56 4.14 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 1.22 0.00 0.00 16 H 8.40 4.87 0.00 3.32 3.31 0.00 5.66 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 7.86 4.46 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 0.00 18 F 8.95 4.00 0.00 3.22 3.04 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 19 R 8.14 4.06 0.00 1.92 2.04 0.00 3.48 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 20 A 7.96 4.14 1.31 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 0.00 0.00 0.00 21 R 8.09 3.83 0.00 1.76 1.83 0.00 3.24 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 22 M 7.49 3.98 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.96 0.00 23 R 7.35 3.94 0.00 1.80 2.06 0.00 3.25 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 24 T 7.27 4.29 4.22 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 1.27 0.00 0.00 25 P 0.00 4.37 0.00 2.29 2.28 0.00 3.73 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 2.06 2.02 0.00 26 G 8.04 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 0.00 0.00 0.00 27 G 7.74 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 28 R 8.04 3.88 0.00 1.84 1.94 0.00 3.10 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 29 K 7.68 3.86 0.00 1.98 1.81 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.59 7.81 30 V 7.75 3.62 2.18 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 1.00 0.00 0.00 1.00 0.00 0.00 31 L 7.66 3.94 0.00 1.88 1.66 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.94 3.88 0.00 1.83 1.99 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 33 R 7.88 3.89 0.00 2.04 1.96 0.00 3.20 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 1.65 1.88 0.00 34 R 8.35 3.93 0.00 2.03 2.03 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 35 R 8.75 3.97 0.00 2.09 2.00 0.00 3.16 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 36 Q 8.33 4.04 0.00 2.08 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.98 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 37 K 8.51 4.15 0.00 1.74 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.44 7.81 38 G 7.71 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 0.00 0.00 0.00 0.00 39 R 7.47 4.09 0.00 1.89 1.93 0.00 3.29 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 40 W 8.64 4.58 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 4.57 0.00 1.87 1.88 0.00 3.21 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 42 L 8.49 4.27 0.00 1.78 1.82 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.44 4.65 4.36 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 1.38 0.00 0.00 44 P 0.00 4.21 0.00 2.13 2.02 0.00 3.94 0.00 0.00 3.69 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 45 A 8.39 4.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 4.28 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 0.86 0.00 0.00 0.99 0.00 0.00 47 R 8.17 4.38 0.00 1.86 1.89 0.00 3.36 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 48 K 7.86 3.98 0.00 1.70 1.64 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.23 7.81