NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3706 0.0000 0.0000 62.1852 32.5258 175.3412 3 L 4.1259 8.7187 121.8101 54.9913 42.3269 176.3470 4 K 4.2380 10.0661 124.5724 55.6375 34.9380 176.2310 5 P 4.3034 0.0000 0.0000 66.1171 31.2741 178.6606 6 E 3.9744 8.1536 117.3918 59.3286 29.1298 178.5759 7 E 4.0341 8.0877 118.2542 59.4664 29.5661 178.6703 8 H 4.2071 8.4197 118.4944 59.1647 29.9864 176.8303 9 E 3.9325 8.3799 121.1904 59.5856 29.5684 178.5714 10 D 4.3965 8.2421 118.7331 57.3607 40.7265 178.9663 11 I 3.7661 7.3695 119.4231 64.2161 36.9189 178.3540 12 L 3.9233 7.6400 118.8120 57.9437 41.6292 179.0838 13 N 4.4712 8.2951 116.4214 55.9617 37.8964 177.4525 14 K 3.9332 7.9544 120.8318 59.4842 32.1959 178.5889 15 L 4.1800 7.8979 116.8292 56.3656 41.5777 178.5869 16 L 4.2308 7.3973 120.3768 56.5326 42.2978 176.1277 17 D 4.4824 7.5161 118.8565 53.0377 41.0622 175.0666 18 P 4.3584 0.0000 0.0000 65.0206 31.4963 177.0867 19 E 4.3168 8.7985 116.4410 56.1093 29.7929 176.4770 20 L 3.9888 7.6639 121.8650 54.4634 42.9024 177.0831 21 A 4.0819 8.5215 126.8532 52.4682 20.0796 178.5901 22 Q 3.9288 8.7548 123.5928 59.1082 29.0888 179.0177 23 S 4.0537 7.9878 113.8083 61.5904 62.5456 175.9140 24 E 4.0073 8.1206 120.6873 59.0965 29.1938 179.2427 25 R 3.8517 8.1249 119.1451 59.7267 30.0257 178.6975 26 T 3.8846 7.8403 108.1991 64.8326 68.8684 175.8955 27 E 4.0425 8.2466 121.0806 59.1809 29.6004 178.8947 28 A 3.9982 8.3936 120.9812 55.4998 18.5776 179.6546 29 L 3.9742 8.0834 117.1666 57.9406 41.5935 179.9601 30 Q 3.9970 8.1584 118.1631 58.9845 28.6072 178.3908 31 Q 4.0493 8.1233 118.5784 59.2008 28.7947 179.0254 32 L 4.0379 7.9090 119.7246 57.6530 41.6083 179.6608 33 R 3.9087 7.8582 118.3982 59.3917 30.1139 178.5853 34 V 3.5656 8.2568 118.3818 66.0410 31.4996 177.0100 35 N 4.2969 8.4263 116.9858 57.3504 38.6972 176.0304 36 Y 4.2048 8.3961 120.5904 60.4663 38.9356 178.1276 37 G 3.7184 8.2080 106.7607 48.0148 0.0000 175.6552 38 S 4.1222 8.2066 118.2248 61.0433 62.9559 176.2811 39 F 3.8302 8.4486 123.6250 61.7486 38.9990 177.5751 40 V 3.6373 7.9248 117.4804 65.7163 31.2135 178.0026 41 S 4.0531 7.9007 112.7098 61.4775 62.4302 175.7093 42 E 3.9353 8.8031 122.2912 59.3452 29.1689 178.2700 43 Y 4.0341 8.2375 119.6619 60.6372 38.9501 177.1903 44 N 4.2794 8.4583 117.5163 56.3499 38.5710 177.2076 45 D 4.2537 8.1284 120.2040 57.2740 40.9872 178.3843 46 L 3.8430 7.6669 120.6799 58.4905 41.9989 179.0761 47 T 3.6555 7.6987 115.5607 66.6397 68.3775 176.7650 48 K 4.1387 7.8677 120.2918 59.4928 32.0651 179.4410 49 S 4.0932 8.7282 113.8715 61.5604 62.2342 175.7425 50 H 4.1351 8.7210 121.5202 59.1948 29.6108 177.1836 51 E 3.9959 8.2269 120.5875 58.9744 29.1695 179.2520 52 K 3.9236 8.0956 119.8505 59.4572 32.3334 178.8801 53 L 3.9102 7.8497 119.0511 57.7438 41.5204 179.3210 54 A 3.9366 8.0828 120.4677 55.0730 18.2737 179.5957 55 A 3.9092 8.0373 119.1648 55.3443 18.4026 179.7440 56 E 3.8789 8.3512 117.2949 59.4163 29.4724 179.4092 57 K 3.8502 8.5759 120.0031 59.4288 32.0995 178.1677 58 D 4.2953 8.0645 118.2041 57.6020 41.2079 177.9953 59 D 4.3481 8.0285 119.2363 57.3589 40.8063 178.8786 60 L 3.9982 8.1953 119.6496 57.9454 41.6420 179.7436 61 I 3.7304 8.1136 120.1270 64.1471 37.0018 178.6506 62 V 3.5705 8.0314 119.5881 66.1541 31.4736 178.3340 63 S 4.1995 8.2360 113.6278 60.9809 62.9050 175.7825 64 N 4.3566 8.2126 121.2437 56.7344 38.5683 177.0460 65 S 4.1797 8.1353 116.5829 61.3828 62.9058 176.4406 66 K 3.9314 8.2083 122.3635 59.5573 31.9631 178.7909 67 L 3.9763 8.5172 119.5002 57.6626 41.3312 179.1413 68 F 4.0835 8.0418 119.3175 61.3228 39.6420 176.7325 69 R 3.9325 8.3330 118.3116 59.5369 29.9263 177.9439 70 Q 3.9148 8.2422 119.4513 59.5761 28.5051 178.6703 71 I 3.7736 7.8158 120.6113 64.1083 36.8669 178.1790 72 G 3.2755 7.4961 104.7312 46.3213 0.0000 175.1712 73 L 4.2465 7.4239 120.5411 57.4203 42.0339 178.6889 74 T 4.1572 7.4827 116.3396 65.9889 68.9112 175.1614 75 E 4.4620 8.8292 121.7735 56.4926 35.2140 182.1026 76 K 4.6674 8.7009 120.8119 56.4169 31.5892 172.8223 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 2 P 0.00 4.37 0.00 2.09 2.20 0.00 3.30 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.69 0.00 3 L 8.72 4.13 0.00 1.78 1.70 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 4 K 10.07 4.24 0.00 1.81 1.75 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.25 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.75 7.81 5 P 0.00 4.30 0.00 2.18 2.15 0.00 3.63 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 2.16 2.22 0.00 6 E 8.15 3.97 0.00 2.05 1.96 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 2.39 2.41 0.00 7 E 8.09 4.03 0.00 2.23 2.02 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 2.42 2.39 0.00 8 H 8.42 4.21 0.00 3.23 3.52 0.00 5.60 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 9 E 8.38 3.93 0.00 2.31 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 0.00 2.32 2.41 0.00 10 D 8.24 4.40 0.00 2.90 2.70 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 11 I 7.37 3.77 1.97 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 1.52 0.76 0.88 0.00 0.00 12 L 7.64 3.92 0.00 1.72 1.69 0.90 0.81 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 13 N 8.30 4.47 0.00 2.73 2.85 0.00 0.00 6.67 6.41 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 14 K 7.95 3.93 0.00 1.95 1.98 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 15 L 7.90 4.18 0.00 1.76 1.68 0.89 1.11 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 16 L 7.40 4.23 0.00 1.73 1.82 0.91 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.52 4.48 0.00 2.74 2.54 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 0.00 0.00 0.00 0.00 18 P 0.00 4.36 0.00 2.07 2.09 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 19 E 8.80 4.32 0.00 2.03 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 2.30 2.38 0.00 20 L 7.66 3.99 0.00 1.68 1.61 0.97 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.52 4.08 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 22 Q 8.75 3.93 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 23 S 7.99 4.05 0.00 3.92 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 24 E 8.12 4.01 0.00 2.18 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 2.40 2.36 0.00 25 R 8.12 3.85 0.00 1.88 2.10 0.00 3.26 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 26 T 7.84 3.88 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 1.31 0.00 0.00 27 E 8.25 4.04 0.00 2.24 2.04 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 2.33 2.51 0.00 28 A 8.39 4.00 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 29 L 8.08 3.97 0.00 2.06 1.73 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.16 4.00 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 31 Q 8.12 4.05 0.00 2.26 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.66 0.00 32 L 7.91 4.04 0.00 1.89 1.72 0.87 0.82 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 33 R 7.86 3.91 0.00 1.93 2.12 0.00 3.12 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 34 V 8.26 3.57 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 0.97 0.00 0.00 0.96 0.00 0.00 35 N 8.43 4.30 0.00 3.02 3.14 0.00 0.00 6.96 8.42 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 36 Y 8.40 4.20 0.00 3.26 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 37 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 38 S 8.21 4.12 0.00 4.06 3.93 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 39 F 8.45 3.83 0.00 3.20 2.81 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 40 V 7.92 3.64 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 0.93 0.00 0.00 0.39 0.00 0.00 41 S 7.90 4.05 0.00 3.98 3.98 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 42 E 8.80 3.94 0.00 1.96 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 0.00 2.22 2.26 0.00 43 Y 8.24 4.03 0.00 3.36 3.16 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 44 N 8.46 4.28 0.00 2.98 2.86 0.00 0.00 7.07 7.60 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 45 D 8.13 4.25 0.00 2.81 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 46 L 7.67 3.84 0.00 1.84 1.62 0.88 0.83 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 47 T 7.70 3.66 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 1.11 0.00 0.00 48 K 7.87 4.14 0.00 1.92 1.83 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.61 7.81 49 S 8.73 4.09 0.00 3.81 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 50 H 8.72 4.14 0.00 3.22 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.23 4.00 0.00 2.19 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 2.35 2.63 0.00 52 K 8.10 3.92 0.00 1.82 1.92 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.46 7.81 53 L 7.85 3.91 0.00 1.82 1.63 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.08 3.94 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.04 3.91 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 3.88 0.00 2.13 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 2.32 2.52 0.00 57 K 8.58 3.85 0.00 1.78 1.93 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 58 D 8.06 4.30 0.00 2.93 2.85 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 59 D 8.03 4.35 0.00 2.88 2.70 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 60 L 8.20 4.00 0.00 1.82 1.71 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.11 3.73 1.98 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 1.39 0.52 0.90 0.00 0.00 62 V 8.03 3.57 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 1.06 0.00 0.00 0.96 0.00 0.00 63 S 8.24 4.20 0.00 4.11 4.11 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 64 N 8.21 4.36 0.00 2.92 3.05 0.00 0.00 7.06 7.25 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 65 S 8.14 4.18 0.00 4.11 3.93 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 66 K 8.21 3.93 0.00 1.94 1.96 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 67 L 8.52 3.98 0.00 1.94 1.74 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.04 4.08 0.00 3.10 3.28 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 69 R 8.33 3.93 0.00 2.08 2.09 0.00 3.19 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 70 Q 8.24 3.91 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 71 I 7.82 3.77 1.83 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 1.41 0.81 0.81 0.00 0.00 72 G 7.50 3.28 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 73 L 7.42 4.25 0.00 1.72 1.70 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.48 4.16 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 75 E 8.83 4.46 0.00 1.92 1.17 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 2.02 1.74 0.00 76 K 8.70 4.67 0.00 1.85 1.97 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.00 7.81