NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.4096 0.0000 0.0000 62.3196 33.0012 175.4895 4 R 4.5302 7.7161 121.4188 53.1042 32.9236 174.4931 5 P 4.1986 0.0000 0.0000 66.2168 32.2670 178.7318 6 L 3.9147 7.9101 116.6189 57.7541 41.2321 179.1888 7 D 4.4458 8.2225 119.1599 57.1031 40.5312 178.7865 8 V 3.6409 7.3530 117.6375 65.2804 31.6664 178.0235 9 L 3.9214 7.4940 118.6952 57.8030 41.4971 178.2490 10 N 4.4424 7.8453 116.5143 57.3386 38.5472 176.8394 11 R 4.0985 7.6759 117.5284 58.3537 30.3065 178.0381 12 S 4.5600 8.5144 114.2113 57.4000 63.3667 174.0555 13 L 4.2395 7.1391 122.3019 56.1221 41.8497 177.2891 14 K 3.9649 9.0916 120.4989 57.0308 30.5018 175.6122 15 S 5.0365 7.5713 115.0613 55.6958 67.0675 171.6232 16 P 5.0431 0.0000 0.0000 63.0986 32.7158 175.5642 17 V 5.0777 9.2479 115.0943 59.8867 36.8648 174.0740 18 I 4.8858 8.9925 122.9861 59.6297 39.9581 175.0212 19 V 4.4476 8.7570 126.7682 61.1014 33.9884 174.2721 20 R 4.6571 7.6994 128.8031 55.1849 31.8327 174.9805 21 L 5.2967 8.4089 123.8747 52.2546 45.9021 175.8786 22 K 3.9890 8.6533 120.5362 58.1881 31.9817 176.3221 23 G 4.1698 9.0739 113.9511 47.3644 0.0000 173.9236 24 G 3.6578 7.2121 105.9328 45.0039 0.0000 174.3347 25 R 4.3956 7.8793 119.6814 56.2604 31.7742 175.1707 26 E 5.2823 8.8626 119.1310 54.8707 34.5453 174.6959 27 F 5.1348 8.9616 119.0316 55.7607 43.3566 173.9487 28 R 4.9593 8.6195 123.2659 54.7800 32.9722 174.8493 29 G 4.4270 8.2285 111.5001 46.4539 0.0000 171.5403 30 T 4.8599 8.0734 117.0124 62.3853 69.9416 174.5997 31 L 4.4968 8.8693 129.7620 55.4085 42.4187 176.3314 32 D 4.7817 8.8199 126.5381 54.2805 42.9988 175.5594 33 G 4.0683 7.5218 104.1089 46.5328 0.0000 171.2384 34 Y 5.5857 7.7101 116.8570 57.5140 40.3732 172.0909 35 D 4.9573 8.0677 118.0331 51.6042 42.6844 175.9441 36 I 3.7666 8.4399 118.5347 65.1399 37.1462 177.2710 37 H 4.3371 8.1370 115.6116 56.9755 29.0558 176.1734 38 M 3.4341 8.3228 118.9876 55.8039 29.9310 176.1569 39 N 5.1230 8.5097 116.4061 53.5140 40.0769 174.1275 40 L 5.3978 8.8025 119.9888 53.2837 47.1222 175.4190 41 V 4.8450 8.5712 119.6170 61.2059 34.6962 174.1570 42 L 5.2754 8.7849 127.1622 53.0182 45.0532 175.6907 43 L 4.7289 8.8778 123.2194 53.6649 44.1608 175.6666 44 D 4.7053 8.1301 117.6655 55.4388 38.5759 172.7453 45 A 5.2894 8.3102 122.6296 50.2065 23.3824 175.9600 46 E 5.0811 9.1086 117.9391 54.5551 33.7187 174.9398 47 E 3.8799 8.9664 124.7262 54.9105 31.8111 174.8895 48 I 4.9916 8.5667 126.2113 59.5498 41.4788 174.0120 49 Q 4.5611 8.4803 127.6510 54.8006 32.0224 175.0281 50 N 4.0674 9.8232 121.9464 54.3286 36.1656 174.7896 51 G 3.9463 8.6834 104.0278 45.5812 0.0000 173.6072 52 E 4.6563 7.9112 116.2802 53.6024 32.5347 175.2048 53 V 4.1491 8.3531 121.4087 63.3122 32.1280 175.8104 54 V 4.4331 8.1321 118.9166 61.7873 34.3694 176.1545 55 R 4.7289 7.6300 117.4251 54.7148 34.7085 174.0881 56 K 5.1273 8.6461 121.3249 54.7905 35.0897 175.9998 57 V 4.5215 8.8926 117.3557 59.3354 35.6794 177.0645 58 G 3.8408 9.0186 111.0875 49.2539 0.0000 173.1233 59 S 5.3135 7.7433 111.1292 58.1837 65.2223 176.1109 60 V 4.4778 8.3790 113.5187 60.1061 36.4736 173.5502 61 V 4.6694 8.2445 123.1975 61.2757 33.4963 174.5699 62 I 4.3826 8.3991 129.2007 59.1857 39.6343 175.5295 63 R 4.4320 8.6316 126.7293 55.9694 30.6492 177.3187 64 G 4.2581 10.1174 113.7860 47.5750 0.0000 174.6845 65 D 4.2594 8.2264 118.0821 57.1108 41.1882 176.9906 66 T 4.1864 8.1868 111.9736 62.5103 67.7944 174.3234 67 V 3.9755 7.6794 121.4790 63.5234 32.2645 174.9190 68 V 4.3464 8.3972 127.0134 64.1827 32.5039 175.4901 69 F 5.0704 7.2713 113.0939 55.8040 41.1741 172.4865 70 V 5.1637 8.5016 119.1675 61.3851 34.4155 174.6188 71 S 4.9196 8.9752 120.9258 56.0123 66.7350 171.6297 72 P 4.7919 0.0000 0.0000 62.5276 31.9232 176.0965 73 A 4.1886 8.7636 125.3796 52.6622 18.2317 177.1876 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 3 P 0.00 4.41 0.00 2.05 2.05 0.00 3.59 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.11 0.00 4 R 7.72 4.53 0.00 2.01 1.79 0.00 3.33 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.81 0.00 5 P 0.00 4.20 0.00 2.13 2.11 0.00 3.59 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 2.12 2.20 0.00 6 L 7.91 3.91 0.00 1.68 1.80 0.92 1.09 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 7 D 8.22 4.45 0.00 2.87 2.72 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 8 V 7.35 3.64 2.16 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 0.81 0.00 0.00 0.91 0.00 0.00 9 L 7.49 3.92 0.00 1.21 0.67 0.31 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 10 N 7.85 4.44 0.00 2.97 3.09 0.00 0.00 7.32 8.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.68 4.10 0.00 1.95 1.99 0.00 3.20 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 12 S 8.51 4.56 0.00 3.95 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 13 L 7.14 4.24 0.00 1.67 1.65 0.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.09 3.96 0.00 1.90 1.95 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.41 7.81 15 S 7.57 5.04 0.00 3.89 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 16 P 0.00 5.04 0.00 2.14 2.19 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 17 V 9.25 5.08 2.21 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 0.87 0.00 0.00 1.00 0.00 0.00 18 I 8.99 4.89 2.00 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 1.16 0.99 0.99 0.00 0.00 19 V 8.76 4.45 2.13 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 0.93 0.00 0.00 0.92 0.00 0.00 20 R 7.70 4.66 0.00 1.09 0.82 0.00 3.14 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 21 L 8.41 5.30 0.00 1.60 1.53 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.65 3.99 0.00 1.63 1.75 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.60 7.81 23 G 9.07 4.17 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 0.00 0.00 0.00 24 G 7.21 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 0.00 0.00 0.00 25 R 7.88 4.40 0.00 1.76 1.75 0.00 3.08 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 1.66 1.63 0.00 26 E 8.86 5.28 0.00 1.79 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 2.09 2.19 0.00 27 F 8.96 5.13 0.00 2.99 2.84 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 28 R 8.62 4.96 0.00 1.88 1.76 0.00 3.16 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 29 G 8.23 4.43 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 0.00 30 T 8.07 4.86 4.26 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 1.23 0.00 0.00 31 L 8.87 4.50 0.00 1.82 1.77 1.07 0.90 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 32 D 8.82 4.78 0.00 2.68 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 33 G 7.52 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.71 5.59 0.00 3.02 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.07 4.96 0.00 2.89 2.80 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 36 I 8.44 3.77 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.55 0.81 0.00 0.00 37 H 8.14 4.34 0.00 3.41 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.32 3.43 0.00 2.27 2.26 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 2.49 2.65 0.00 39 N 8.51 5.12 0.00 2.97 2.74 0.00 0.00 6.78 6.30 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 40 L 8.80 5.40 0.00 1.51 1.51 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.57 4.84 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 1.04 0.00 0.00 0.92 0.00 0.00 42 L 8.78 5.28 0.00 1.52 1.50 0.90 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.88 4.73 0.00 1.59 1.57 0.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.13 4.71 0.00 2.74 2.66 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 45 A 8.31 5.29 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 46 E 9.11 5.08 0.00 1.83 1.75 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 2.22 2.24 0.00 47 E 8.97 3.88 0.00 1.37 1.50 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 1.93 1.53 0.00 48 I 8.57 4.99 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.56 0.94 0.00 0.00 49 Q 8.48 4.56 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.22 0.00 0.00 0.00 0.00 0.00 2.19 2.40 0.00 50 N 9.82 4.07 0.00 2.87 2.87 0.00 0.00 7.17 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 51 G 8.68 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 52 E 7.91 4.66 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.18 0.00 53 V 8.35 4.15 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 0.80 0.00 0.00 0.99 0.00 0.00 54 V 8.13 4.43 2.03 0.00 0.00 0.00 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 0.85 0.00 0.00 55 R 7.63 4.73 0.00 1.66 1.76 0.00 3.06 0.00 0.00 3.49 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 56 K 8.65 5.13 0.00 1.60 1.70 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.71 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.42 7.81 57 V 8.89 4.52 2.13 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 0.76 0.00 0.00 1.14 0.00 0.00 58 G 9.02 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 0.00 0.00 0.00 59 S 7.74 5.31 0.00 3.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 4.48 1.75 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 0.57 0.00 0.00 0.65 0.00 0.00 61 V 8.24 4.67 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.89 0.00 0.00 62 I 8.40 4.38 1.75 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.33 0.83 0.00 0.00 63 R 8.63 4.43 0.00 1.82 1.85 0.00 3.30 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 64 G 10.12 4.26 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 0.00 65 D 8.23 4.26 0.00 2.64 2.73 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 66 T 8.19 4.19 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 1.28 0.00 0.00 67 V 7.68 3.98 2.21 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 0.75 0.00 0.00 0.91 0.00 0.00 68 V 8.40 4.35 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 1.01 0.00 0.00 0.98 0.00 0.00 69 F 7.27 5.07 0.00 3.10 3.11 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 0.00 0.00 0.00 70 V 8.50 5.16 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 0.87 0.00 0.00 0.92 0.00 0.00 71 S 8.98 4.92 0.00 3.96 3.99 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 72 P 0.00 4.79 0.00 2.11 2.11 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 73 A 8.76 4.19 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