NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9704 8.3549 109.7366 45.0493 0.0000 173.5780 2 S 4.3438 7.7728 113.3531 58.7103 65.5309 174.0732 3 S 4.2009 8.3490 115.0469 60.7109 64.3265 172.9850 4 G 3.7240 8.1617 113.7424 45.6389 0.0000 173.7260 5 S 4.3918 8.2913 120.8362 57.3252 60.6953 172.9841 6 S 4.8305 9.0340 120.3244 55.2681 66.5167 173.9526 7 G 4.4034 7.4406 116.3829 45.3966 0.0000 171.9187 8 R 4.5939 8.0700 121.2417 53.8892 32.5293 174.7881 9 K 4.7039 8.3107 123.2321 54.6648 35.4519 174.4985 10 P 4.2768 0.0000 0.0000 65.4536 31.5429 176.6655 11 R 4.1952 7.8667 118.9817 54.8534 28.6411 174.9368 12 T 3.9690 7.9880 120.4510 62.1745 69.6920 175.0851 13 I 3.8284 8.5195 124.7361 64.1124 37.4262 175.9252 14 Y 4.6584 7.7075 116.2354 55.0707 41.8226 175.6000 15 S 4.4750 8.3088 117.4646 57.8729 64.5526 175.5779 16 S 4.1706 8.5854 120.0680 61.3996 62.8990 176.3311 17 F 4.2681 8.2288 123.7592 61.2484 39.2907 177.0483 18 Q 3.4111 7.8611 117.0940 58.6308 28.5940 178.3248 19 L 3.6520 8.3701 120.0971 58.0642 41.6495 179.2731 20 A 3.8159 8.3179 120.1756 55.4230 18.4145 179.4142 21 A 3.8470 7.5694 116.9864 55.5865 18.5125 179.1700 22 L 3.5390 7.5146 117.0845 58.2204 41.4592 179.5626 23 Q 4.2527 8.5799 117.6199 59.5720 28.7089 179.7703 24 R 4.0224 8.0881 117.8566 58.6968 30.0948 178.3930 25 R 4.2835 7.9333 118.4379 58.3660 30.3886 178.0903 26 F 4.3463 8.9292 122.6085 60.8489 39.2276 176.8136 27 Q 4.2020 8.2183 115.8872 59.7308 28.0661 179.0736 28 K 4.1388 7.6994 119.2376 58.4544 32.6387 177.2732 29 T 4.4854 7.2320 111.0821 61.0254 70.6252 174.2301 30 Q 3.3547 8.6211 126.5552 57.9153 29.2317 176.0635 31 Y 4.6599 7.9161 113.9007 56.0045 40.0212 174.7919 32 L 4.6015 7.9952 122.1007 52.1423 44.6501 177.3323 33 A 4.2270 8.3883 125.0058 51.7946 20.2680 177.4762 34 L 3.8641 8.3694 120.2560 58.1663 41.7258 177.3022 35 P 4.3918 0.0000 0.0000 64.9811 30.9175 178.1403 36 E 3.9547 7.8452 118.7966 59.4197 29.5906 178.7163 37 R 3.4918 8.1886 118.8105 59.1746 30.1108 178.3683 38 A 4.0928 7.8818 120.1921 54.6363 18.3224 179.0897 39 E 3.8840 7.7126 117.7144 59.5892 29.5990 179.1535 40 L 3.9908 7.4719 118.4226 57.6647 41.7002 179.3527 41 A 4.2900 7.9481 120.5495 54.5869 18.0830 179.4342 42 A 4.0735 8.4072 118.8232 54.7179 18.4796 179.4745 43 S 4.2852 8.4399 112.2318 61.4392 62.5360 176.3287 44 L 3.7453 8.0131 120.9431 55.8673 41.3282 178.3697 45 G 3.8998 7.5863 106.3826 45.5120 0.0000 173.1856 46 L 4.5300 7.5490 120.1784 53.3232 43.9235 175.1237 47 T 4.8347 7.8583 112.6293 60.2344 70.0020 174.7725 48 Q 4.0845 8.5922 124.0179 59.4980 28.3623 179.4210 49 T 4.0605 7.9296 115.8663 65.7491 68.5102 176.5558 50 Q 4.1852 8.3250 120.6910 58.6052 29.2468 178.3702 51 V 3.8598 7.7913 118.2856 65.4102 31.5272 178.1707 52 K 3.9610 7.9941 118.2044 59.7303 31.9904 179.4150 53 I 3.8530 7.4738 119.5910 63.8951 37.0479 178.4545 54 W 3.8933 8.4629 129.6140 60.5066 30.2938 178.1862 55 F 4.3279 8.7313 117.6574 60.3898 38.1171 177.5830 56 Q 4.0268 8.1877 118.5754 59.2167 29.2419 177.2787 57 N 4.3125 8.2828 117.6668 56.3817 38.6125 176.8027 58 K 3.2545 7.1907 120.0319 59.8731 31.7911 178.3954 59 R 4.0159 7.3035 116.2527 59.8260 30.0938 178.4767 60 S 4.2731 8.2180 112.1149 59.8278 62.9876 174.7183 61 K 4.4242 7.8258 121.1958 55.5808 32.1422 177.3946 62 I 3.7085 7.6987 120.3974 61.1343 36.9464 176.6615 63 K 4.0163 8.4804 126.2665 59.5884 32.5714 177.2726 64 K 4.0715 7.7888 120.2516 55.8318 32.7463 175.7357 65 S 4.4882 9.2561 120.7617 56.8447 62.8220 171.5559 66 G 4.0430 7.8916 120.9180 45.3694 0.0000 172.3550 67 P 4.3726 0.0000 0.0000 64.5126 32.2561 177.8994 68 S 4.1935 7.8563 114.2652 58.2692 63.1957 174.1649 69 S 4.5003 8.3920 118.6666 58.3014 64.2080 174.4772 70 G 3.7206 8.2111 108.2253 46.2883 0.0000 173.1301 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 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.77 4.34 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.35 4.20 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.16 3.72 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 0.00 0.00 0.00 5 S 8.29 4.39 0.00 3.85 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 6 S 9.03 4.83 0.00 3.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.44 4.40 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 0.00 8 R 8.07 4.59 0.00 1.73 1.78 0.00 3.24 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 9 K 8.31 4.70 0.00 1.85 1.71 0.00 1.63 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.31 1.60 7.81 10 P 0.00 4.28 0.00 2.21 2.23 0.00 3.76 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 1.99 1.95 0.00 11 R 7.87 4.20 0.00 1.78 1.92 0.00 3.35 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 12 T 7.99 3.97 4.53 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 13 I 8.52 3.83 2.20 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.83 0.99 0.00 0.00 14 Y 7.71 4.66 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.31 4.47 0.00 3.83 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 16 S 8.59 4.17 0.00 4.14 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.23 4.27 0.00 3.11 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 18 Q 7.86 3.41 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.45 0.00 19 L 8.37 3.65 0.00 1.90 1.72 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.32 3.82 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 21 A 7.57 3.85 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.51 3.54 0.00 0.98 0.13 -0.22 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 8.58 4.25 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.70 0.00 24 R 8.09 4.02 0.00 2.04 2.01 0.00 3.16 0.00 0.00 3.16 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 25 R 7.93 4.28 0.00 2.09 2.24 0.00 3.21 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 26 F 8.93 4.35 0.00 2.85 3.13 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 0.00 0.00 0.00 0.00 27 Q 8.22 4.20 0.00 2.34 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.77 0.00 0.00 0.00 0.00 0.00 2.63 2.49 0.00 28 K 7.70 4.14 0.00 2.01 1.93 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.62 7.81 29 T 7.23 4.49 4.25 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 1.30 0.00 0.00 30 Q 8.62 3.35 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.59 0.00 0.00 0.00 0.00 0.00 2.15 1.86 0.00 31 Y 7.92 4.66 0.00 2.82 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.00 4.60 0.00 1.22 1.43 0.44 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.39 4.23 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 34 L 8.37 3.86 0.00 1.75 1.66 0.90 0.82 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 35 P 0.00 4.39 0.00 2.29 2.28 0.00 3.64 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 36 E 7.85 3.95 0.00 2.19 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 2.38 2.41 0.00 37 R 8.19 3.49 0.00 1.65 1.87 0.00 3.01 0.00 0.00 3.03 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.41 0.00 38 A 7.88 4.09 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.71 3.88 0.00 2.29 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 0.00 2.30 2.39 0.00 40 L 7.47 3.99 0.00 1.50 1.61 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.95 4.29 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.41 4.07 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 43 S 8.44 4.29 0.00 3.92 3.89 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 44 L 8.01 3.75 0.00 1.59 1.41 0.65 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.59 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.55 4.53 0.00 1.74 1.77 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.86 4.83 4.25 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 1.27 0.00 0.00 48 Q 8.59 4.08 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 49 T 7.93 4.06 4.27 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 1.24 0.00 0.00 50 Q 8.33 4.19 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.62 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 51 V 7.79 3.86 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 0.86 0.00 0.00 0.94 0.00 0.00 52 K 7.99 3.96 0.00 2.03 1.85 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 53 I 7.47 3.85 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.91 0.98 0.00 0.00 54 W 8.46 3.89 0.00 3.42 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.73 4.33 0.00 3.43 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 56 Q 8.19 4.03 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 57 N 8.28 4.31 0.00 2.71 2.67 0.00 0.00 6.70 8.54 0.00 0.00 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 K 7.19 3.25 0.00 0.95 1.03 0.00 0.81 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.65 7.81 59 R 7.30 4.02 0.00 2.13 2.11 0.00 3.43 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.13 0.00 60 S 8.22 4.27 0.00 3.78 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.83 4.42 0.00 1.53 1.61 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.41 7.81 62 I 7.70 3.71 1.85 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 1.59 0.81 0.98 0.00 0.00 63 K 8.48 4.02 0.00 1.79 1.89 0.00 1.45 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.49 7.81 64 K 7.79 4.07 0.00 1.75 1.77 0.00 1.79 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.38 7.81 65 S 9.26 4.49 0.00 3.85 3.72 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 66 G 7.89 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 0.00 0.00 0.00 67 P 0.00 4.37 0.00 2.21 2.21 0.00 3.69 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 2.00 2.01 0.00 68 S 7.86 4.19 0.00 3.87 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.39 4.50 0.00 3.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.21 3.72 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 0.00 0.00 0.00