NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3318 8.3044 120.3265 55.4640 32.1506 170.8104 2 K 3.5120 9.8657 130.8203 55.4754 32.5909 173.2782 3 I 4.8208 8.2812 126.3658 59.4446 42.0966 174.7146 4 K 4.6525 8.1905 122.1847 55.2922 34.6535 174.8562 5 L 4.9691 8.1085 115.4472 52.9914 46.5389 179.2977 6 V 4.2003 7.9776 112.8844 60.2217 30.7631 179.4561 7 R 4.4994 7.8725 115.2134 56.0207 31.1634 173.3448 8 S 4.6513 7.6690 114.1260 57.3149 66.7446 175.5473 9 V 4.4363 8.6647 122.2439 63.5770 32.0478 177.1395 10 I 3.8467 8.7488 115.4266 62.2647 38.3764 176.0225 11 G 3.8884 9.0220 108.2688 45.5164 0.0000 173.0635 12 R 4.4578 7.5185 118.4629 53.2178 32.1058 173.4068 13 P 4.4655 0.0000 0.0000 62.3740 31.8613 177.1525 14 G 3.7162 8.5133 106.9601 47.8934 0.0000 175.7862 15 N 4.3053 8.3100 117.9829 56.0603 37.0883 177.0426 16 Q 4.0094 7.6452 120.1780 58.1264 28.9862 177.8294 17 V 3.6939 7.4344 119.2083 65.2889 31.2912 176.4244 18 K 4.6326 7.5356 117.9099 57.4280 33.1892 177.5143 19 T 4.5543 7.6415 114.5843 63.2426 70.7542 176.8860 20 V 3.6340 8.1603 122.2326 65.5920 31.7217 177.6205 21 Q 4.1044 8.0474 117.2364 57.5882 28.8325 176.0435 22 A 4.2824 7.2789 118.6926 53.4304 19.8199 177.6505 23 L 4.4523 7.9241 124.6708 53.0463 40.4637 176.1435 24 G 3.6297 8.4213 113.9319 45.9960 0.0000 171.1897 25 L 4.4284 8.2658 126.7599 53.8789 44.9877 174.5057 26 R 4.4767 8.4822 125.0180 55.3367 32.0916 177.7973 27 K 3.9543 8.5431 121.6963 56.0219 31.3779 174.5883 28 I 4.4711 7.8763 115.5922 62.1333 39.6992 178.0755 29 G 4.0133 8.2178 108.4566 48.0545 0.0000 173.2200 30 D 4.6964 7.7006 118.1207 52.4551 43.5128 175.2524 31 S 4.7770 8.5419 119.6346 56.7584 65.5241 172.6834 32 R 4.6800 7.8941 120.7057 54.3571 33.6525 174.9225 33 E 4.3718 8.4331 119.0702 56.9405 29.8601 175.5550 34 V 4.4540 8.2626 114.1408 60.9293 35.1980 174.1861 35 S 3.8545 8.4129 109.6219 60.4878 62.5898 176.1325 36 D 4.6765 8.3713 109.7147 54.6217 43.0051 177.8540 37 T 4.4965 6.8912 116.5631 60.4031 69.8635 173.3602 38 P 4.2232 0.0000 0.0000 64.9717 31.8345 176.8697 39 A 4.6631 7.3461 120.8797 51.9867 18.0660 178.2099 40 V 4.4346 7.4788 116.5432 63.9253 34.9023 175.6535 41 R 4.0047 8.1576 119.2621 58.9198 30.4528 176.2198 42 G 4.2811 7.5181 104.8311 45.2321 0.0000 172.7446 43 M 4.8806 7.7533 110.8304 55.0965 34.2088 175.3383 44 V 4.4691 7.6831 109.1705 61.2807 36.0756 175.0747 45 K 4.5872 7.8927 118.8003 56.9549 29.6927 175.3751 46 T 4.6835 8.0066 116.3401 64.4490 75.1379 175.3490 47 V 4.5137 7.1575 116.4407 61.2835 31.8763 175.4003 48 K 3.9711 8.1604 123.9717 60.0384 32.6728 175.7157 49 H 4.9683 7.9854 118.5094 54.4692 27.0939 172.1235 50 L 4.2665 7.4612 128.3049 54.6109 46.8076 173.5105 51 L 4.8739 7.6852 120.5169 53.8175 44.1455 173.0201 52 E 4.8275 8.1687 116.5906 55.1374 32.8812 175.1014 53 V 3.7496 8.5177 118.2904 63.8464 31.5550 176.2345 54 Q 4.5107 7.5298 118.2197 55.1615 31.7488 173.2444 55 E 4.0730 8.5012 124.5581 56.6935 29.5585 176.1130 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 4.33 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 K 9.87 3.51 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.78 7.81 3 I 8.28 4.82 1.97 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 1.30 1.06 0.91 0.00 0.00 4 K 8.19 4.65 0.00 1.65 1.81 0.00 1.99 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.36 7.81 5 L 8.11 4.97 0.00 1.58 1.48 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.98 4.20 2.07 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 0.96 0.00 0.00 0.93 0.00 0.00 7 R 7.87 4.50 0.00 1.69 1.75 0.00 3.26 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 8 S 7.67 4.65 0.00 3.80 3.65 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 0.00 0.00 0.00 0.00 9 V 8.66 4.44 2.08 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 0.89 0.00 0.00 0.93 0.00 0.00 10 I 8.75 3.85 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 0.52 0.91 0.00 0.00 11 G 9.02 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 0.00 0.00 0.00 12 R 7.52 4.46 0.00 1.71 1.78 0.00 3.31 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 1.49 1.67 0.00 13 P 0.00 4.47 0.00 2.52 2.00 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 14 G 8.51 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 15 N 8.31 4.31 0.00 2.88 3.09 0.00 0.00 5.93 7.04 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 16 Q 7.65 4.01 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 17 V 7.43 3.69 2.24 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 1.05 0.00 0.00 0.97 0.00 0.00 18 K 7.54 4.63 0.00 1.95 1.81 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 19 T 7.64 4.55 4.32 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 1.28 0.00 0.00 20 V 8.16 3.63 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 21 Q 8.05 4.10 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 22 A 7.28 4.28 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.92 4.45 0.00 1.74 1.70 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.42 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.27 4.43 0.00 1.56 1.51 0.94 0.97 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 26 R 8.48 4.48 0.00 1.82 1.81 0.00 3.56 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 K 8.54 3.95 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 28 I 7.88 4.47 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 1.34 0.99 0.93 0.00 0.00 29 G 8.22 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.70 4.70 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.54 4.78 0.00 3.82 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.89 4.68 0.00 1.70 1.76 0.00 3.24 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 33 E 8.43 4.37 0.00 1.96 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 34 V 8.26 4.45 2.08 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 0.72 0.00 0.00 0.93 0.00 0.00 35 S 8.41 3.85 0.00 4.00 3.41 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 36 D 8.37 4.68 0.00 2.63 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.89 4.50 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 1.24 0.00 0.00 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 A 7.35 4.66 1.26 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 40 V 7.48 4.43 2.17 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 0.94 0.00 0.00 0.97 0.00 0.00 41 R 8.16 4.00 0.00 1.88 1.99 0.00 3.30 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 42 G 7.52 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.75 4.88 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 44 V 7.68 4.47 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00 45 K 7.89 4.59 0.00 1.72 1.79 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 46 T 8.01 4.68 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 47 V 7.16 4.51 2.08 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 0.77 0.00 0.00 0.94 0.00 0.00 48 K 8.16 3.97 0.00 1.88 1.82 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.52 7.81 49 H 7.99 4.97 0.00 3.11 3.25 0.00 6.02 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.46 4.27 0.00 1.83 1.53 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.69 4.87 0.00 1.66 1.58 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.17 4.83 0.00 1.91 1.83 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 2.19 2.30 0.00 53 V 8.52 3.75 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 54 Q 7.53 4.51 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 55 E 8.50 4.07 0.00 1.94 1.89 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 2.29 2.32 0.00