NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5318 8.3649 120.1910 50.0975 44.3548 179.8767 2 T 3.0710 8.6069 115.6822 63.8729 68.9302 171.9680 3 T 4.6700 8.6315 119.9387 62.0936 72.7862 173.7749 4 V 4.5488 8.0601 124.4770 59.7884 35.2002 173.2117 5 S 3.9458 8.8846 118.0608 58.5944 62.1964 175.0040 6 E 4.1479 9.2145 122.6099 56.1028 30.7462 171.2151 7 P 4.8811 0.0000 0.0000 62.3253 32.3893 175.7049 8 A 4.3843 9.6167 125.1241 51.2915 19.4183 174.9410 9 P 4.5996 0.0000 0.0000 62.4390 32.6307 176.4552 10 S 4.6110 8.5539 112.3594 58.6148 63.2159 173.0694 11 C 4.9813 7.9944 114.6983 55.3396 42.8794 172.8339 12 V 4.9276 7.6140 117.9885 62.4213 34.1925 174.9175 13 T 4.6318 9.1078 124.5413 62.2728 71.2596 173.0915 14 L 5.1286 8.3906 124.0360 53.4135 44.6726 176.3326 15 Y 4.4477 9.8230 124.5798 56.4249 37.3512 174.4386 16 Q 4.6595 8.0944 120.1532 55.1013 29.7529 174.9446 17 S 4.7349 8.2796 127.3970 57.0657 64.1477 175.0332 18 W 3.9819 7.8784 113.0364 58.2367 28.9271 178.4305 19 R 3.0830 6.3891 119.3176 57.6215 29.7413 175.6491 20 Y 4.6052 6.2095 112.5848 56.2616 40.7825 172.1848 21 S 5.4664 9.5836 115.4426 56.8351 64.4066 172.7435 22 Q 5.1992 9.6074 125.3850 54.0438 32.5276 174.1145 23 A 4.9754 9.3670 125.1863 50.2727 21.7821 174.6617 24 D 5.0901 8.9806 123.0030 52.7531 43.7926 175.0301 25 N 4.9317 9.0245 126.0619 52.4161 38.4437 174.6875 26 G 3.9132 8.9914 109.6194 46.2827 0.0000 170.3474 27 C 4.6969 8.7835 121.6011 55.7421 44.9091 172.9305 28 A 4.7996 8.2784 120.9856 51.3738 18.9133 175.6559 29 E 4.7864 7.8470 116.1889 56.3043 33.6957 175.4114 30 T 4.1854 8.6893 120.2432 64.8132 69.1278 173.7809 31 V 4.6276 9.1215 118.3165 60.0445 36.4425 174.1761 32 T 5.1096 8.4618 118.8276 62.1832 71.4629 173.8899 33 V 4.8136 8.5499 118.1909 60.2079 37.2372 174.6695 34 K 4.7589 9.0235 119.7689 56.7355 35.0938 175.5889 35 V 3.9058 8.4717 126.3500 62.1621 32.3060 175.0827 36 V 4.4685 8.7367 127.1853 61.6234 32.8791 175.5325 37 Y 5.0819 9.0023 126.6319 57.3235 39.5022 175.8038 38 E 4.2589 8.4942 118.9579 57.8634 30.0490 176.5965 39 D 4.5558 8.0181 117.1146 55.2477 41.1400 176.2649 40 D 4.4234 7.8836 117.0527 55.4348 38.4256 173.6831 41 T 4.8353 7.8132 107.5573 59.8215 72.0091 171.9468 42 E 5.1793 8.4578 119.3969 54.8651 33.4672 175.8591 43 G 4.3079 9.0089 110.2601 45.0244 0.0000 172.3394 44 L 3.3618 7.4956 123.2232 53.5056 41.6660 174.3925 45 C 4.8976 8.0734 120.5010 55.8759 45.5572 172.2894 46 Y 5.2056 8.8985 123.7612 56.1593 41.2887 174.3349 47 A 5.1237 8.7099 125.0123 50.1236 20.4740 176.6037 48 V 4.4712 9.0872 122.1254 60.9056 34.9882 175.2931 49 A 4.6761 8.5656 129.1844 50.3963 20.1863 175.4127 50 P 4.2839 0.0000 0.0000 65.8979 31.1240 176.3117 51 G 4.2459 8.5041 117.5017 45.7469 0.0000 171.5664 52 Q 4.7391 8.1649 118.9787 53.9282 33.0598 174.0103 53 I 5.1088 8.0918 123.3608 60.0724 40.6543 174.4494 54 T 4.7293 8.5391 120.5285 59.4302 71.2781 173.1372 55 T 4.3573 8.1754 122.3596 64.0352 69.4249 174.5763 56 V 4.7771 9.5677 115.7364 60.4108 35.3632 175.7285 57 G 4.3243 7.3684 108.4443 46.4470 0.0000 170.6962 58 D 4.9708 9.7700 121.2178 52.6755 43.1834 176.0786 59 G 3.8200 8.5405 108.9614 44.8010 0.0000 172.4632 60 Y 4.9078 7.7452 115.0439 56.2767 38.3915 177.4861 61 I 3.7935 7.7888 114.2084 62.6462 38.1811 175.9684 62 G 4.2247 7.5888 108.5331 45.4011 0.0000 175.2579 63 S 4.2155 8.6348 115.8511 60.3535 61.5851 174.2186 64 H 4.3867 9.0918 122.4216 56.7124 31.2435 175.4963 65 G 4.5079 8.1092 104.5766 46.2686 0.0000 173.2821 66 H 5.0970 8.7651 118.6025 53.5706 31.2012 172.2365 67 A 3.6704 9.0481 125.8705 52.7013 17.8600 177.2664 68 R 4.1570 9.5394 123.8648 58.3943 30.7866 176.6076 69 Y 4.6097 6.6733 115.1524 56.6112 40.0516 172.1476 70 L 4.7245 8.1363 119.6712 54.2225 43.4983 175.7980 71 A 4.9589 8.6568 124.7051 50.3496 21.6731 175.9049 72 R 4.7100 9.2082 121.6459 56.1959 31.4036 176.8950 73 C 4.4403 8.5937 118.6218 58.0405 40.9023 174.0477 74 L 4.2839 7.3737 124.2070 54.9592 42.4308 175.9339 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 D 8.36 4.53 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.61 3.07 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 3 T 8.63 4.67 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 4 V 8.06 4.55 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 0.69 0.00 0.00 0.94 0.00 0.00 5 S 8.88 3.95 0.00 3.92 3.80 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 6 E 9.21 4.15 0.00 2.13 2.09 0.00 0.00 0.00 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 2.23 0.00 7 P 0.00 4.88 0.00 1.99 1.69 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.79 0.00 8 A 9.62 4.38 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 9 P 0.00 4.60 0.00 2.09 2.09 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 10 S 8.55 4.61 0.00 4.00 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 11 C 7.99 4.98 0.00 3.09 3.31 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 12 V 7.61 4.93 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 0.97 0.00 0.00 0.95 0.00 0.00 13 T 9.11 4.63 4.34 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 1.33 0.00 0.00 14 L 8.39 5.13 0.00 1.64 1.55 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.82 4.45 0.00 3.13 2.95 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 16 Q 8.09 4.66 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.88 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 17 S 8.28 4.73 0.00 3.82 3.70 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 18 W 7.88 3.98 0.00 3.48 3.30 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 0.00 19 R 6.39 3.08 0.00 0.67 0.76 0.00 2.65 0.00 0.00 3.00 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.44 0.00 20 Y 6.21 4.61 0.00 3.24 2.94 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 0.00 0.00 0.00 21 S 9.58 5.47 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.61 5.20 0.00 2.17 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.41 0.00 0.00 0.00 0.00 0.00 2.22 2.49 0.00 23 A 9.37 4.98 1.27 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 0.00 0.00 0.00 24 D 8.98 5.09 0.00 2.79 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 25 N 9.02 4.93 0.00 2.83 2.85 0.00 0.00 6.93 7.73 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 26 G 8.99 3.91 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 0.00 0.00 0.00 27 C 8.78 4.70 0.00 3.12 3.05 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 0.00 0.00 0.00 28 A 8.28 4.80 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.85 4.79 0.00 1.82 1.81 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 2.22 2.34 0.00 30 T 8.69 4.19 4.25 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 0.00 0.00 0.00 1.24 0.00 0.00 31 V 9.12 4.63 2.09 0.00 0.00 0.00 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 0.95 0.00 0.00 32 T 8.46 5.11 4.25 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 0.00 0.00 0.00 1.23 0.00 0.00 33 V 8.55 4.81 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 0.73 0.00 0.00 0.98 0.00 0.00 34 K 9.02 4.76 0.00 1.68 1.78 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.17 7.81 35 V 8.47 3.91 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 0.25 0.00 0.00 0.82 0.00 0.00 36 V 8.74 4.47 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.01 0.00 0.00 37 Y 9.00 5.08 0.00 2.97 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 38 E 8.49 4.26 0.00 2.28 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 2.44 0.00 39 D 8.02 4.56 0.00 2.67 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 40 D 7.88 4.42 0.00 2.91 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.81 4.84 4.38 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 1.23 0.00 0.00 42 E 8.46 5.18 0.00 1.87 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 2.18 2.33 0.00 43 G 9.01 4.31 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 0.00 44 L 7.50 3.36 0.00 1.67 0.86 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 45 C 8.07 4.90 0.00 2.84 2.87 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 46 Y 8.90 5.21 0.00 2.86 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 47 A 8.71 5.12 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.09 4.47 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 1.14 0.00 0.00 0.95 0.00 0.00 49 A 8.57 4.68 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.28 0.00 2.06 2.19 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.08 0.00 51 G 8.50 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.16 4.74 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.71 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 53 I 8.09 5.11 1.83 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 1.17 0.96 0.86 0.00 0.00 54 T 8.54 4.73 4.14 0.00 0.00 0.00 0.00 0.00 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 55 T 8.18 4.36 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 0.63 0.00 0.00 56 V 9.57 4.78 2.25 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 1.20 0.00 0.00 0.97 0.00 0.00 57 G 7.37 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 0.00 0.00 0.00 0.00 58 D 9.77 4.97 0.00 2.59 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 59 G 8.54 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.75 4.91 0.00 2.86 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.79 3.79 2.01 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 1.50 0.97 1.21 0.00 0.00 62 G 7.59 4.22 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 0.00 63 S 8.63 4.22 0.00 3.88 3.64 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 64 H 9.09 4.39 0.00 2.56 1.40 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.11 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.77 5.10 0.00 3.24 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 9.05 3.67 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.54 4.16 0.00 1.39 1.48 0.00 3.46 0.00 0.00 3.35 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 69 Y 6.67 4.61 0.00 3.00 3.07 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 70 L 8.14 4.72 0.00 1.69 1.67 1.00 0.72 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 71 A 8.66 4.96 1.41 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 0.00 0.00 72 R 9.21 4.71 0.00 1.89 1.92 0.00 3.12 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 73 C 8.59 4.44 0.00 2.82 3.12 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 0.00 0.00 0.00 0.00 74 L 7.37 4.28 0.00 1.54 1.48 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00