NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 G 3.7392 8.3544 109.6644 45.3843 0.0000 171.8381 44 E 4.7074 8.5685 119.2605 53.2064 32.1979 170.0718 45 V 3.6270 8.7459 127.5298 63.2889 31.9962 174.5457 46 E 4.3353 8.9543 130.6156 58.4590 30.1160 175.5164 47 Y 4.6666 6.7798 114.5852 56.4686 41.1630 172.1738 48 L 4.7910 8.6128 119.6950 53.6634 42.7195 176.5387 49 C 4.7028 8.7607 120.7134 60.9672 29.9222 173.0153 50 D 4.8918 7.4372 116.2142 53.7890 44.4423 173.2508 51 Y 5.3930 8.8801 124.2009 56.8660 42.2567 174.7567 52 K 4.3364 8.4505 127.8800 53.5251 36.7840 173.7521 53 K 4.7358 8.2223 124.5831 54.1769 34.8552 175.4874 54 I 4.3188 8.6545 129.8354 60.2018 39.6099 177.5706 55 R 3.6957 8.5838 129.5031 58.2331 28.7887 179.7743 56 E 4.1739 9.2342 124.6634 57.6611 30.3370 176.6722 57 Q 4.4455 8.0380 119.4404 55.0095 30.4456 173.6876 58 E 4.8564 8.3099 124.5546 55.2189 31.9061 174.6123 59 Y 5.4490 8.8693 120.6236 56.5816 42.6770 174.0586 60 Y 5.1820 9.5001 119.3392 56.1969 42.6536 174.2313 61 L 3.9043 7.9549 126.2228 54.1622 43.2722 175.2929 62 V 3.9994 8.2658 127.4369 60.7829 33.4702 174.3080 63 K 4.0766 8.0656 130.2171 54.6715 32.9734 175.6157 64 W 5.0552 8.4472 127.3860 55.2872 31.1474 176.0514 65 R 4.0843 9.2268 124.7122 57.7725 29.9681 177.2823 66 G 3.8083 9.0265 112.8926 45.3538 0.0000 172.5904 67 Y 4.7584 7.2321 117.2456 54.9440 40.4703 174.0780 68 P 4.4563 0.0000 0.0000 63.2737 32.0526 177.6422 69 D 4.6306 8.7935 118.5001 56.2068 39.7436 179.3645 70 S 4.4600 8.0508 109.7602 60.1087 63.4341 174.3198 71 E 4.5238 8.3394 120.6961 56.3710 29.7037 176.1902 72 S 4.8159 8.0002 117.1847 58.3582 64.0397 173.4614 73 T 4.9046 8.2791 112.7157 59.4852 72.3896 172.8648 74 W 4.8383 8.9174 123.7878 56.8543 29.9677 175.4362 75 E 5.1706 9.9072 124.3989 53.5877 32.8735 174.0565 76 P 4.5679 0.0000 0.0000 62.4432 32.4117 177.0174 77 R 4.0289 8.9084 121.7195 60.0017 30.0714 178.7182 78 Q 4.0848 8.0335 115.0374 58.7044 28.7899 176.8654 79 N 4.6682 8.2011 113.4256 53.9270 38.9893 174.8159 80 L 4.8255 7.6719 118.4932 53.0327 43.8272 176.3546 81 K 4.5698 8.3974 118.7680 55.6878 34.4881 177.7793 82 C 4.4437 7.6463 117.3425 57.1383 26.4533 174.2531 83 V 3.6157 7.5200 119.5651 65.1389 31.6305 178.4497 84 R 3.8999 7.8540 117.3137 59.2795 30.0253 178.6860 85 I 3.6892 7.7433 119.0784 64.4243 37.0151 178.1500 86 L 3.8765 7.8603 119.5139 57.7248 41.4198 179.4736 87 K 3.9188 8.1510 119.4203 59.5057 32.0453 178.4390 88 Q 3.9201 8.3070 119.8941 59.1703 29.0210 177.8411 89 F 4.0179 8.4608 121.8703 61.9108 39.3184 176.8766 90 H 4.0162 8.6660 115.9390 58.5077 28.3817 177.7661 91 K 3.8910 8.4203 121.9166 59.6554 32.0609 178.6468 92 D 4.2447 8.1712 119.3361 57.1078 40.5811 178.5952 93 L 3.7173 7.6351 120.8670 57.9136 41.9915 178.5010 94 E 3.8583 8.3067 119.6390 59.3455 29.5137 178.8004 95 R 3.8290 8.1126 118.7627 59.2359 30.1446 177.9050 96 E 3.8849 8.0817 119.0767 59.5627 29.6922 178.9728 97 L 4.0393 8.1856 119.0753 57.6175 41.3738 179.5799 98 L 4.0077 7.9717 118.6715 57.6511 41.9768 179.0407 99 R 4.1087 8.2142 118.7855 59.5275 30.0444 178.8463 100 R 3.9234 8.1383 117.7824 59.4685 29.9751 178.2383 101 H 4.1888 8.3891 116.1961 58.4597 29.9221 174.8932 102 H 4.7347 7.8651 117.0531 57.8729 31.2386 174.6173 103 R 4.1468 7.7398 121.0397 56.3863 29.1361 179.3056 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 43 G 8.35 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.71 0.00 2.22 1.91 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 2.35 2.45 0.00 45 V 8.75 3.63 1.99 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 0.53 0.00 0.00 0.74 0.00 0.00 46 E 8.95 4.34 0.00 2.03 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.31 0.00 47 Y 6.78 4.67 0.00 3.05 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 48 L 8.61 4.79 0.00 1.17 1.19 0.44 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 49 C 8.76 4.70 0.00 2.65 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 50 D 7.44 4.89 0.00 2.57 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 0.00 0.00 0.00 0.00 51 Y 8.88 5.39 0.00 3.00 3.10 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 0.00 0.00 0.00 52 K 8.45 4.34 0.00 1.43 1.58 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.27 1.26 7.81 53 K 8.22 4.74 0.00 1.36 1.52 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.73 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.25 1.38 7.81 54 I 8.65 4.32 1.91 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.77 0.88 0.00 0.00 55 R 8.58 3.70 0.00 1.94 1.16 0.00 3.19 0.00 0.00 3.25 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 56 E 9.23 4.17 0.00 1.99 1.85 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 2.21 1.86 0.00 57 Q 8.04 4.45 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.79 0.00 0.00 0.00 0.00 0.00 2.08 1.52 0.00 58 E 8.31 4.86 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.38 0.00 59 Y 8.87 5.45 0.00 2.77 3.01 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 60 Y 9.50 5.18 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 3.90 0.00 0.27 0.82 0.23 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.27 4.00 1.15 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 -0.99 0.00 0.00 0.58 0.00 0.00 63 K 8.07 4.08 0.00 1.25 0.74 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.43 0.84 7.81 64 W 8.45 5.06 0.00 3.43 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 65 R 9.23 4.08 0.00 1.87 1.94 0.00 3.33 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 66 G 9.03 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.23 4.76 0.00 3.05 2.91 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 68 P 0.00 4.46 0.00 2.27 2.23 0.00 3.92 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.03 0.00 69 D 8.79 4.63 0.00 2.62 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.46 0.00 4.00 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 71 E 8.34 4.52 0.00 2.15 2.01 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 2.37 2.56 0.00 72 S 8.00 4.82 0.00 3.71 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 4.90 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 1.31 0.00 0.00 74 W 8.92 4.84 0.00 3.14 3.08 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 75 E 9.91 5.17 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 76 P 0.00 4.57 0.00 2.47 2.13 0.00 3.95 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.10 0.00 77 R 8.91 4.03 0.00 2.17 2.07 0.00 3.16 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 78 Q 8.03 4.08 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 79 N 8.20 4.67 0.00 2.97 2.99 0.00 0.00 6.86 7.37 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 80 L 7.67 4.83 0.00 1.69 1.46 0.71 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.40 4.57 0.00 1.69 1.77 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.34 7.81 82 C 7.65 4.44 0.00 3.08 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 83 V 7.52 3.62 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 0.79 0.00 0.00 0.92 0.00 0.00 84 R 7.85 3.90 0.00 1.84 1.97 0.00 3.14 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 1.71 1.71 0.00 85 I 7.74 3.69 1.97 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.71 0.86 0.00 0.00 86 L 7.86 3.88 0.00 1.84 1.66 0.73 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.15 3.92 0.00 1.90 1.95 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 88 Q 8.31 3.92 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.54 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 89 F 8.46 4.02 0.00 3.20 3.21 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 0.00 90 H 8.67 4.02 0.00 3.36 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.42 3.89 0.00 1.97 1.87 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.50 7.81 92 D 8.17 4.24 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.64 3.72 0.00 1.19 1.49 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 94 E 8.31 3.86 0.00 2.09 2.05 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 2.28 2.30 0.00 95 R 8.11 3.83 0.00 1.96 1.86 0.00 3.13 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 96 E 8.08 3.88 0.00 2.09 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 0.00 2.29 2.34 0.00 97 L 8.19 4.04 0.00 1.70 1.70 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.97 4.01 0.00 1.79 1.78 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.21 4.11 0.00 2.01 2.10 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 100 R 8.14 3.92 0.00 2.08 1.97 0.00 3.21 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 101 H 8.39 4.19 0.00 3.01 3.52 0.00 5.88 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 H 7.87 4.73 0.00 3.27 3.25 0.00 5.91 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 0.00 103 R 7.74 4.15 0.00 1.87 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00