NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2838 8.3049 120.3268 55.8855 33.0177 175.5485 2 L 3.4839 8.5693 124.8353 53.1684 40.9060 172.6243 3 I 3.2314 8.2354 121.7358 60.0489 38.6252 174.1343 4 P 4.2278 0.0000 0.0000 61.6828 31.6968 176.2851 5 I 3.5126 8.1666 123.9422 61.8966 38.2564 171.7139 6 R 4.7607 8.5217 133.4143 55.3005 30.3718 175.5773 7 C 3.8864 8.2741 122.2361 58.9851 32.2788 173.4751 8 F 4.2943 8.2214 126.7924 61.4124 37.9817 176.7867 9 T 3.9615 7.4466 115.7861 66.1977 68.7597 174.3652 10 C 4.3131 7.9510 119.2764 56.2393 42.7293 175.1703 11 G 3.7258 8.1055 107.9517 44.7945 0.0000 173.2334 12 S 4.3615 7.5546 114.4798 57.6779 63.8830 173.2563 13 L 4.4824 8.0604 119.8717 54.6939 41.8544 175.5396 14 I 4.3310 7.4632 118.3561 61.6341 40.4778 177.3681 15 A 3.9616 8.1222 121.3315 55.7602 18.1188 178.9949 16 D 4.4296 8.1841 115.2888 56.9698 39.1880 178.6740 17 K 4.3723 7.9623 116.8517 56.9134 32.5878 178.3729 18 W 4.7801 8.5473 130.2351 60.6483 30.3866 179.3024 19 Q 4.2320 8.1923 115.2821 55.8091 27.6815 177.1012 20 S 4.4727 9.0404 113.0706 57.1533 64.4235 175.0935 21 F 4.0908 7.4764 121.3745 59.8653 38.6414 177.0572 22 I 3.8398 7.1853 113.1217 64.8051 37.3549 177.4764 23 T 3.6898 7.6914 116.2967 66.7631 68.5500 175.7238 24 R 3.9996 8.1639 119.0879 59.5906 30.2299 179.2698 25 V 4.0030 7.9135 117.9505 65.7098 31.5289 177.5956 26 N 4.4665 8.0082 114.3363 55.0602 39.4135 176.1677 27 A 4.4667 7.6280 123.6185 49.7469 17.2341 177.8254 28 G 3.6042 8.0454 120.9111 45.6511 0.0000 177.6072 29 E 3.3120 8.9950 123.7705 56.3089 26.3937 173.4505 30 N 4.3935 8.6479 125.3609 53.6078 39.5754 172.7481 31 P 4.3891 0.0000 0.0000 65.8737 31.4235 178.5414 32 G 3.7287 8.1189 103.5194 48.0241 0.0000 175.7226 33 K 4.4366 8.1147 122.3714 58.4182 31.9786 179.6030 34 V 3.5606 7.7259 118.1989 65.7712 31.1163 178.2164 35 L 4.1927 7.6354 118.1671 57.8836 41.8135 178.4797 36 D 4.5546 8.2949 119.1546 57.9112 40.6437 178.6699 37 D 4.3404 9.6655 116.7164 55.7873 41.3350 176.0623 38 L 4.3646 7.0107 119.9459 52.6354 43.7666 176.1890 39 G 3.7633 8.3490 110.0048 45.8738 0.0000 172.9321 40 V 4.4786 7.9099 124.6574 60.8251 34.9417 172.7902 41 K 4.0247 8.5452 126.3434 56.5884 31.8995 179.1488 42 R 4.5266 7.9932 126.3818 55.6616 33.3167 175.2427 43 Y 4.6489 8.0184 113.6438 59.1894 39.1399 177.3665 44 C 3.7596 6.8826 114.5887 61.0216 29.4609 175.4654 45 C 4.6255 7.9003 114.0195 56.6044 39.2086 174.8490 46 R 4.0537 7.3208 120.7317 58.3535 29.7155 177.6645 47 R 3.9832 8.9651 119.9457 59.8524 29.8101 177.9984 48 M 3.8545 7.9814 116.8103 58.6184 32.2130 178.6428 49 L 4.0398 7.6506 117.9381 57.8364 41.9010 179.2752 50 L 4.1226 7.3572 115.9866 56.7276 41.4604 178.2407 51 S 4.6369 7.4960 112.0072 57.9619 63.1857 173.1843 52 H 4.6512 8.2130 121.6947 55.5002 29.3885 175.5025 53 V 3.6376 8.3235 121.4788 62.3073 31.8441 175.4342 54 D 4.0805 7.2074 117.5833 54.9940 38.6080 172.0836 55 I 4.3369 7.4474 112.6759 60.2093 38.4514 178.5955 56 I 3.8566 7.7462 124.1007 64.1859 38.0189 177.9207 57 N 4.5061 8.2162 116.9852 55.8747 38.5952 175.7694 58 E 4.3500 7.7735 115.9310 57.7150 30.1021 177.4288 59 V 4.2214 7.6838 116.4530 63.7917 32.4062 176.4814 60 I 3.8278 7.7630 120.0405 64.6424 38.2161 176.6581 61 H 4.5584 7.8451 114.6229 55.0008 25.5203 172.8147 62 Y 4.9066 6.9956 119.8756 57.1931 47.1670 177.3938 63 T 3.4909 9.8170 115.5469 61.0055 66.7660 172.0862 64 R 4.1856 8.4320 118.4649 55.9658 29.2870 175.6053 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 M 8.30 4.28 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 2 L 8.57 3.48 0.00 1.82 1.61 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 3 I 8.24 3.23 1.52 0.00 0.00 0.66 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 -0.36 0.39 0.00 0.00 4 P 0.00 4.23 0.00 1.53 1.73 0.00 3.27 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.84 0.00 5 I 8.17 3.51 1.84 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 1.40 0.59 0.89 0.00 0.00 6 R 8.52 4.76 0.00 1.98 1.92 0.00 3.30 0.00 0.00 3.80 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.53 0.00 7 C 8.27 3.89 0.00 2.80 2.71 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 0.00 0.00 0.00 8 F 8.22 4.29 0.00 3.08 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 9 T 7.45 3.96 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 1.21 0.00 0.00 10 C 7.95 4.31 0.00 3.03 3.14 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 0.00 11 G 8.11 3.73 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 0.00 0.00 0.00 12 S 7.55 4.36 0.00 4.00 4.03 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 13 L 8.06 4.48 0.00 1.65 1.87 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.46 4.33 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.37 0.72 0.00 0.00 15 A 8.12 3.96 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 16 D 8.18 4.43 0.00 2.89 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 17 K 7.96 4.37 0.00 2.10 2.29 0.00 1.84 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.54 7.81 18 W 8.55 4.78 0.00 3.38 3.37 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 19 Q 8.19 4.23 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.63 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 20 S 9.04 4.47 0.00 3.68 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 21 F 7.48 4.09 0.00 3.04 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 22 I 7.19 3.84 1.70 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.36 0.90 0.00 0.00 23 T 7.69 3.69 4.16 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 1.13 0.00 0.00 24 R 8.16 4.00 0.00 1.93 2.02 0.00 3.00 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.75 0.00 25 V 7.91 4.00 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 1.06 0.00 0.00 1.00 0.00 0.00 26 N 8.01 4.47 0.00 2.82 2.84 0.00 0.00 7.00 7.33 0.00 0.00 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 A 7.63 4.47 1.30 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 0.00 0.00 28 G 8.05 3.60 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 0.00 0.00 0.00 29 E 9.00 3.31 0.00 2.09 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 0.00 2.31 2.26 0.00 30 N 8.65 4.39 0.00 2.75 2.75 0.00 0.00 7.11 7.71 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 31 P 0.00 4.39 0.00 2.23 2.18 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 32 G 8.12 3.73 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 0.00 0.00 0.00 33 K 8.11 4.44 0.00 2.06 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.32 7.81 34 V 7.73 3.56 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 0.71 0.00 0.00 0.97 0.00 0.00 35 L 7.64 4.19 0.00 1.95 1.85 1.04 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.29 4.55 0.00 2.79 2.75 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 0.00 0.00 0.00 37 D 9.67 4.34 0.00 2.78 2.75 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 0.00 0.00 0.00 38 L 7.01 4.36 0.00 1.60 1.51 0.30 1.27 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 39 G 8.35 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.48 2.36 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 0.89 0.00 0.00 1.04 0.00 0.00 41 K 8.55 4.02 0.00 1.76 1.60 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.75 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.34 7.81 42 R 7.99 4.53 0.00 1.78 1.63 0.00 3.20 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.50 0.00 43 Y 8.02 4.65 0.00 3.21 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 44 C 6.88 3.76 0.00 2.99 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.90 4.63 0.00 2.92 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 46 R 7.32 4.05 0.00 2.40 2.00 0.00 3.19 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 47 R 8.97 3.98 0.00 2.12 1.97 0.00 3.27 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 48 M 7.98 3.85 0.00 1.79 2.03 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 49 L 7.65 4.04 0.00 1.48 1.45 0.10 0.57 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 50 L 7.36 4.12 0.00 1.69 1.78 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 S 7.50 4.64 0.00 3.91 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.21 4.65 0.00 3.11 3.30 0.00 5.95 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.32 3.64 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 0.73 0.00 0.00 0.91 0.00 0.00 54 D 7.21 4.08 0.00 2.09 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.45 4.34 1.89 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 1.31 0.98 0.91 0.00 0.00 56 I 7.75 3.86 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 1.33 1.35 1.01 0.00 0.00 57 N 8.22 4.51 0.00 2.82 2.94 0.00 0.00 6.91 7.66 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 58 E 7.77 4.35 0.00 2.14 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 0.00 2.37 2.29 0.00 59 V 7.68 4.22 2.14 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 0.81 0.00 0.00 1.06 0.00 0.00 60 I 7.76 3.83 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.84 1.09 0.00 0.00 61 H 7.85 4.56 0.00 3.05 3.17 0.00 5.59 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Y 7.00 4.91 0.00 3.10 2.82 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 63 T 9.82 3.49 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 64 R 8.43 4.19 0.00 1.90 1.89 0.00 3.24 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00