NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.1843 8.3401 119.6860 55.6398 30.0267 175.6165 2 A 3.9991 8.3641 124.9256 49.8918 16.7079 174.4767 3 K 3.6846 8.3797 120.5559 57.0591 33.5159 173.6845 4 G 3.3864 9.0624 118.0057 44.5941 0.0000 171.9743 5 P 4.0839 0.0000 0.0000 62.5645 31.4768 174.6290 6 P 4.4110 0.0000 0.0000 65.4860 32.5522 175.1461 7 Y 5.0887 6.8301 115.9305 56.6228 41.1056 172.7628 8 T 4.7962 8.8585 114.2172 60.2478 71.4472 171.6494 9 L 5.2174 8.3288 120.6353 53.2801 44.5875 176.7797 10 C 5.0410 8.7168 119.3754 55.2337 45.3315 173.1952 11 F 4.5774 8.8940 119.8445 57.1572 39.6281 175.2710 12 E 4.7814 8.2334 121.0241 54.8767 32.9531 175.2676 13 C 4.8846 8.8486 121.9656 55.8391 46.7799 171.9404 14 N 5.3771 8.4341 122.0669 51.7736 40.1805 174.5553 15 R 3.9970 9.4055 128.1041 59.7403 30.2583 178.3412 16 E 4.1523 8.3214 116.2550 58.5948 29.5582 177.7210 17 T 4.2246 7.2046 104.0156 61.1594 70.7435 174.3658 18 C 4.1864 8.0502 120.2328 60.3638 29.8703 171.9111 19 S 4.5241 7.2415 113.7149 57.1838 64.6784 172.8825 20 N 4.2729 8.8600 125.8515 54.7274 35.7227 176.0354 21 C 4.6571 8.0125 114.4729 57.7848 40.6976 174.6665 22 F 4.6584 7.8107 116.2215 56.8852 39.4961 175.0247 23 K 4.7064 7.9291 122.6373 54.1920 33.7147 175.1847 24 D 4.1045 8.3026 125.7584 53.2087 40.4241 175.1381 25 N 5.0193 8.5903 117.4435 51.0139 42.6910 173.7689 26 R 4.2659 8.2904 121.8239 56.6096 30.4649 177.1041 27 C 4.5775 8.8031 124.4729 55.7289 42.2923 171.9513 28 P 4.3608 0.0000 0.0000 61.2678 31.7017 174.3308 29 P 4.3405 0.0000 0.0000 64.8463 31.4453 176.8631 30 Y 3.6624 8.4852 118.6098 58.6592 36.6950 169.7259 31 H 4.7938 8.3202 118.4796 55.0942 27.7435 175.0159 32 R 4.7880 8.4782 121.0189 55.8869 31.3782 175.8923 33 T 4.8857 7.9920 116.4541 62.0234 72.2332 172.5897 34 C 5.4907 9.2427 123.2171 55.8545 42.3409 172.2283 35 Y 5.5359 8.4677 118.1676 56.1788 41.9735 173.8618 36 T 4.9357 9.2060 116.1893 61.7774 72.8552 172.6402 37 L 5.1757 9.4218 128.7548 53.7209 44.4356 174.6686 38 Y 5.2749 9.4877 124.1172 56.8391 40.6259 174.9750 39 R 5.1113 8.8578 120.1706 53.7365 35.0665 173.2527 40 P 4.9461 0.0000 0.0000 63.0123 31.9840 176.0995 41 D 4.5355 8.5343 119.4912 53.0059 39.9575 176.9520 42 G 4.0419 8.1205 107.3853 45.7744 0.0000 174.1001 43 N 4.7619 9.3832 117.4966 53.2148 38.7900 174.9144 44 G 4.2189 8.2742 112.6344 44.8929 0.0000 173.5871 45 E 3.5392 6.8823 117.3004 51.3519 30.0250 175.7656 46 M 4.8589 8.5340 126.5961 54.6891 33.1064 175.8569 47 K 5.0999 9.2010 122.9418 53.7006 36.7877 175.8276 48 W 4.1945 9.1238 119.5259 57.2050 28.1362 175.2989 49 A 4.4524 9.4241 123.2056 52.7800 21.7267 176.3209 50 V 5.0870 7.7839 113.5984 61.3708 35.4388 174.4536 51 K 4.5541 8.8684 126.1355 54.8296 36.3953 175.8872 52 G 3.6914 7.0409 108.4303 46.3866 0.0000 171.2432 53 C 5.4345 8.8590 116.4996 56.0188 36.7406 173.4567 54 A 4.7538 8.9106 121.9959 51.3340 22.3345 177.3659 55 K 4.0982 8.8274 119.3028 58.6237 32.8423 177.2972 56 T 4.5282 7.3563 114.4073 61.2239 70.4590 175.1738 57 C 4.0897 8.8164 125.3235 56.3725 43.9569 171.8630 58 P 4.3529 0.0000 0.0000 62.8316 31.5447 175.7519 59 T 4.2207 8.1090 117.5894 62.2008 69.3489 174.9267 60 A 4.0663 8.4977 129.8006 52.4020 19.1319 177.1943 61 Q 4.3920 9.4240 122.5510 53.8546 30.0749 173.7499 62 P 4.3147 0.0000 0.0000 64.7861 31.5466 177.3080 63 G 3.9774 9.1091 110.5164 45.2323 0.0000 172.3553 64 E 5.1825 8.0243 118.0958 54.4101 33.1158 175.4409 65 S 4.8537 8.8713 114.6257 56.7050 66.5249 173.0597 66 V 5.0553 8.5606 121.3543 61.3104 34.2009 174.3607 67 Q 4.6823 9.3196 127.2943 54.7177 32.0135 173.2041 68 C 5.8479 9.0050 123.0282 55.6571 42.9951 171.8425 69 C 5.0426 8.9982 114.1406 54.1958 45.2961 173.5032 70 N 5.2819 8.6351 115.6876 53.3466 39.7664 174.4912 71 T 4.7219 7.6804 106.5157 58.6786 71.8967 171.3041 72 P 4.4873 0.0000 0.0000 64.2519 32.1323 176.3984 73 K 3.8769 9.2750 120.2560 57.3614 30.2267 175.4451 74 C 4.5151 8.0884 115.7239 57.8377 41.7294 173.4868 75 N 4.6653 7.8964 116.9569 52.6760 37.5325 174.5761 76 D 3.4205 7.1920 117.2553 54.7628 42.0599 175.4898 77 Y 3.8708 7.6576 118.0982 58.1200 37.8997 175.9055 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 Q 8.34 4.18 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.29 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 2 A 8.36 4.00 1.26 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 3 K 8.38 3.68 0.00 1.71 1.77 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.48 7.81 4 G 9.06 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.08 0.00 2.05 1.98 0.00 3.66 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 1.94 1.92 0.00 6 P 0.00 4.41 0.00 2.10 2.21 0.00 3.28 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.72 0.00 7 Y 6.83 5.09 0.00 2.97 3.02 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 8 T 8.86 4.80 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 1.29 0.00 0.00 9 L 8.33 5.22 0.00 1.52 1.53 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 C 8.72 5.04 0.00 2.71 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 11 F 8.89 4.58 0.00 2.71 2.78 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 12 E 8.23 4.78 0.00 1.80 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 2.17 2.15 0.00 13 C 8.85 4.88 0.00 2.84 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 14 N 8.43 5.38 0.00 2.82 2.67 0.00 0.00 6.61 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 15 R 9.41 4.00 0.00 1.16 1.69 0.00 2.79 0.00 0.00 2.82 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.15 0.00 16 E 8.32 4.15 0.00 2.20 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 2.22 0.00 17 T 7.20 4.22 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 18 C 8.05 4.19 0.00 3.24 3.06 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 0.00 0.00 0.00 0.00 19 S 7.24 4.52 0.00 3.83 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 20 N 8.86 4.27 0.00 2.89 2.88 0.00 0.00 7.21 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 21 C 8.01 4.66 0.00 1.74 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 0.00 0.00 0.00 0.00 22 F 7.81 4.66 0.00 3.08 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 23 K 7.93 4.71 0.00 1.75 1.72 0.00 1.68 0.00 0.00 1.81 0.00 0.00 3.17 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.42 7.81 24 D 8.30 4.10 0.00 1.97 1.54 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 25 N 8.59 5.02 0.00 2.60 2.60 0.00 0.00 6.77 7.37 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 26 R 8.29 4.27 0.00 1.69 1.65 0.00 3.01 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.54 0.00 27 C 8.80 4.58 0.00 3.11 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 28 P 0.00 4.36 0.00 1.93 1.87 0.00 3.31 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 29 P 0.00 4.34 0.00 2.08 1.79 0.00 3.76 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 30 Y 8.49 3.66 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.32 4.79 0.00 3.37 3.35 0.00 5.59 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.48 4.79 0.00 1.71 1.94 0.00 3.19 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.85 0.00 33 T 7.99 4.89 4.46 0.00 0.00 0.00 0.00 0.00 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 34 C 9.24 5.49 0.00 2.85 2.92 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 35 Y 8.47 5.54 0.00 3.05 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 36 T 9.21 4.94 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 0.57 0.00 0.00 37 L 9.42 5.18 0.00 1.91 1.67 1.04 1.13 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 38 Y 9.49 5.27 0.00 2.92 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 39 R 8.86 5.11 0.00 1.73 1.76 0.00 3.13 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 40 P 0.00 4.95 0.00 2.18 2.08 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 41 D 8.53 4.54 0.00 2.76 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 42 G 8.12 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 43 N 9.38 4.76 0.00 2.61 2.83 0.00 0.00 7.41 8.49 0.00 0.00 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 G 8.27 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 45 E 6.88 3.54 0.00 2.09 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 0.00 2.38 2.48 0.00 46 M 8.53 4.86 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 47 K 9.20 5.10 0.00 1.59 1.51 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.41 1.37 7.81 48 W 9.12 4.19 0.00 3.06 2.76 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 49 A 9.42 4.45 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 50 V 7.78 5.09 2.26 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 1.16 0.00 0.00 1.03 0.00 0.00 51 K 8.87 4.55 0.00 1.36 1.40 0.00 0.61 0.00 0.00 0.86 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.91 0.99 7.81 52 G 7.04 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.86 5.43 0.00 2.91 3.09 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 0.00 0.00 0.00 54 A 8.91 4.75 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.83 4.10 0.00 1.69 1.82 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.55 1.05 7.81 56 T 7.36 4.53 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 57 C 8.82 4.09 0.00 2.94 3.02 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 58 P 0.00 4.35 0.00 1.72 1.65 0.00 3.44 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.57 0.00 59 T 8.11 4.22 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 60 A 8.50 4.07 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 61 Q 9.42 4.39 0.00 2.20 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 62 P 0.00 4.31 0.00 2.04 2.03 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 63 G 9.11 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 0.00 0.00 0.00 64 E 8.02 5.18 0.00 1.88 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 0.00 2.27 2.54 0.00 65 S 8.87 4.85 0.00 3.92 3.94 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 66 V 8.56 5.06 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 0.91 0.00 0.00 1.02 0.00 0.00 67 Q 9.32 4.68 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.45 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 68 C 9.00 5.85 0.00 2.91 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 69 C 9.00 5.04 0.00 2.98 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.64 5.28 0.00 2.69 2.81 0.00 0.00 6.72 7.54 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 71 T 7.68 4.72 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 1.27 0.00 0.00 72 P 0.00 4.49 0.00 2.05 2.01 0.00 3.81 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.09 0.00 73 K 9.28 3.88 0.00 1.99 2.10 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.22 1.28 7.81 74 C 8.09 4.52 0.00 3.11 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 75 N 7.90 4.67 0.00 2.68 2.88 0.00 0.00 5.98 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 76 D 7.19 3.42 0.00 2.89 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.66 3.87 0.00 2.86 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