NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 4.0370 8.2548 109.1261 45.5577 0.0000 173.5818 6 K 4.2388 8.2933 118.6155 54.9944 34.0625 173.3558 7 E 4.2197 8.7113 121.7993 56.1296 31.9527 174.9412 8 L 5.3934 8.4047 123.1587 53.2343 45.4385 175.7724 9 V 4.9436 8.9168 113.8748 59.7330 36.6564 174.0307 10 L 5.0314 8.9442 125.9083 53.3935 44.0243 175.2819 11 A 4.5205 9.0607 129.3842 52.0482 18.6553 178.0956 12 L 3.8212 8.9291 124.0857 57.2162 42.4408 176.4663 13 Y 4.8581 7.5393 113.8749 56.2326 42.4444 174.4741 14 D 4.8995 8.7691 119.9305 54.8430 42.3147 176.2885 15 Y 4.5481 9.0851 122.8258 56.9719 42.3145 173.0027 16 Q 4.7564 8.0983 128.8660 54.0423 30.3608 175.0709 17 E 4.1511 8.9123 124.6632 57.0890 29.8464 177.6380 18 K 4.4990 9.7065 122.0348 56.4357 33.3014 176.1372 19 S 4.6694 7.5673 112.4800 56.1460 65.6172 173.2099 20 P 4.2258 0.0000 0.0000 65.7690 31.2178 177.8504 21 R 4.2559 7.7791 114.7150 57.0937 30.3887 175.9496 22 E 5.4024 7.9748 118.2089 55.2334 31.3798 175.6037 23 V 4.9210 8.4049 119.4984 59.3205 34.6221 175.2066 24 T 5.1054 8.5976 118.5759 63.0337 69.9018 173.9987 25 M 5.0105 9.2321 121.5480 53.9125 35.4072 173.8257 26 K 5.0852 9.0228 119.0921 54.1025 35.4891 176.0202 27 K 4.2377 8.9433 124.9021 58.1652 32.5503 177.2607 28 G 4.0243 8.8270 114.6923 45.1581 0.0000 173.6789 29 D 4.5234 8.0019 120.1559 54.5362 42.1548 175.6301 30 I 4.8670 8.3480 123.1058 59.9688 38.6501 174.9419 31 L 4.9181 9.0877 127.6464 53.1812 45.1534 176.0043 32 T 4.7627 8.1786 118.1114 62.3046 69.9298 174.0958 33 L 4.2443 8.9709 130.5921 55.2821 42.2672 177.2103 34 L 4.1735 8.9574 128.2060 57.1032 42.8960 177.5348 35 N 4.6587 7.7536 116.7258 52.3541 42.2285 175.0829 36 S 4.4056 8.2732 121.6135 57.8880 63.4909 175.4262 37 T 3.9714 8.0311 113.8098 65.0775 68.8505 174.1957 38 N 4.7206 8.1286 120.0020 52.4219 39.7798 174.7591 39 K 4.2739 8.8726 126.1441 58.9309 32.7934 176.9068 40 D 4.5518 9.0571 118.2526 54.1953 43.2750 176.6945 41 W 5.2121 8.5158 117.1421 54.5840 32.4223 174.8810 42 W 5.4248 8.9970 124.7701 54.9396 31.5483 175.0183 43 K 4.3723 9.0880 126.1503 55.8586 33.0480 176.0156 44 V 4.9981 8.9013 119.8263 59.6550 37.0311 173.7803 45 E 4.8015 9.0450 123.1516 54.7395 31.7881 174.9530 46 V 3.8866 8.9087 128.7069 63.1730 32.1889 178.1006 47 N 4.2263 9.1514 129.2183 54.1837 37.0753 175.2142 48 D 4.9356 9.3466 119.2267 54.4801 42.5454 174.1462 49 R 4.7804 8.1010 116.6313 53.9791 33.0277 174.2059 50 Q 4.9684 8.9323 120.3183 53.4001 32.9333 175.5651 51 G 3.8658 7.3513 107.2054 46.3791 0.0000 170.5523 52 Y 5.3496 8.1044 116.7119 56.9233 40.5086 175.7730 53 V 4.8463 8.8425 114.0624 58.9469 37.1158 172.8933 54 P 3.3110 0.0000 0.0000 62.2003 31.3006 177.0060 55 A 2.7093 8.0404 128.7604 54.9254 18.1088 179.2565 56 A 3.9098 7.0606 116.0670 54.4654 18.6663 177.4792 57 Y 4.8766 7.9968 113.2704 58.2359 38.3685 175.3844 58 V 4.9461 7.2789 112.5075 59.2119 35.5069 174.8099 59 K 4.6516 8.6914 121.9430 54.3767 34.9617 175.6874 60 K 4.5371 9.1140 127.1303 57.1917 32.2525 177.1779 61 L 4.2931 8.8930 123.4588 55.7926 42.3875 176.9780 62 D 4.5425 7.9094 123.6119 54.3078 41.2771 175.8098 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 5 G 8.25 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 6 K 8.29 4.24 0.00 1.76 1.81 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.54 7.81 7 E 8.71 4.22 0.00 2.00 1.74 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 2.34 2.31 0.00 8 L 8.40 5.39 0.00 1.62 1.53 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.92 4.94 2.22 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 0.80 0.00 0.00 1.06 0.00 0.00 10 L 8.94 5.03 0.00 1.73 1.53 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 11 A 9.06 4.52 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.93 3.82 0.00 1.34 0.92 0.97 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.54 4.86 0.00 2.61 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.77 4.90 0.00 2.62 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 15 Y 9.09 4.55 0.00 3.25 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.76 0.00 2.01 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 17 E 8.91 4.15 0.00 2.28 2.22 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 2.33 2.32 0.00 18 K 9.71 4.50 0.00 2.03 1.96 0.00 1.58 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.42 7.81 19 S 7.57 4.67 0.00 3.90 3.86 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 0.00 0.00 0.00 20 P 0.00 4.23 0.00 2.06 2.18 0.00 3.65 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 2.02 2.12 0.00 21 R 7.78 4.26 0.00 1.80 2.06 0.00 3.30 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 22 E 7.97 5.40 0.00 2.14 2.28 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 2.54 2.20 0.00 23 V 8.40 4.92 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.99 0.00 0.00 24 T 8.60 5.11 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 1.31 0.00 0.00 25 M 9.23 5.01 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.75 0.00 26 K 9.02 5.09 0.00 2.04 1.75 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.38 7.81 27 K 8.94 4.24 0.00 1.70 1.70 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.30 7.81 28 G 8.83 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.00 4.52 0.00 2.76 2.63 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 30 I 8.35 4.87 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 0.92 0.00 0.00 31 L 9.09 4.92 0.00 1.57 1.78 0.99 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.18 4.76 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 1.26 0.00 0.00 33 L 8.97 4.24 0.00 1.73 1.63 0.76 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.96 4.17 0.00 1.55 1.65 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 N 7.75 4.66 0.00 2.80 2.64 0.00 0.00 6.74 7.63 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 36 S 8.27 4.41 0.00 2.72 2.63 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 37 T 8.03 3.97 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 1.25 0.00 0.00 38 N 8.13 4.72 0.00 2.85 3.30 0.00 0.00 6.91 6.68 0.00 0.00 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 K 8.87 4.27 0.00 1.83 1.88 0.00 1.81 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.49 7.81 40 D 9.06 4.55 0.00 2.77 2.37 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 41 W 8.52 5.21 0.00 3.05 3.22 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 0.00 42 W 9.00 5.42 0.00 3.29 3.03 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 0.00 0.00 0.00 0.00 43 K 9.09 4.37 0.00 1.03 1.46 0.00 1.04 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.10 0.67 7.81 44 V 8.90 5.00 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 0.88 0.00 0.00 1.05 0.00 0.00 45 E 9.04 4.80 0.00 1.99 1.78 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 2.33 2.37 0.00 46 V 8.91 3.89 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 1.04 0.00 0.00 1.01 0.00 0.00 47 N 9.15 4.23 0.00 2.92 2.49 0.00 0.00 6.93 8.06 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 48 D 9.35 4.94 0.00 2.59 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.10 4.78 0.00 1.92 1.76 0.00 3.13 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 50 Q 8.93 4.97 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 51 G 7.35 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 52 Y 8.10 5.35 0.00 3.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.84 4.85 1.88 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 0.86 0.00 0.00 1.03 0.00 0.00 54 P 0.00 3.31 0.00 0.49 0.49 0.00 2.41 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.44 0.00 55 A 8.04 2.71 -0.22 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 0.00 0.00 0.00 56 A 7.06 3.91 1.13 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 0.00 0.00 57 Y 8.00 4.88 0.00 2.89 2.98 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 0.00 0.00 0.00 58 V 7.28 4.95 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 0.74 0.00 0.00 1.07 0.00 0.00 59 K 8.69 4.65 0.00 1.85 1.63 0.00 1.59 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.47 7.81 60 K 9.11 4.54 0.00 1.76 1.77 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.51 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.53 1.65 7.81 61 L 8.89 4.29 0.00 1.54 1.72 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.91 4.54 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00