NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8757 8.3549 109.7347 43.6040 0.0000 174.9335 2 S 4.5512 7.8538 116.5184 55.0476 66.5439 171.5360 3 S 4.8784 8.2710 115.3884 55.9278 66.9722 174.6934 4 G 3.8396 9.2261 112.9837 47.1747 0.0000 175.3660 5 S 4.6618 9.1407 110.6584 56.0879 66.0344 174.1067 6 S 4.5295 8.6410 117.1559 57.7223 64.4013 174.0504 7 G 4.0586 9.2686 112.8724 45.3036 0.0000 171.9708 8 R 4.8775 8.6719 117.8875 53.3488 32.9748 174.4012 9 P 4.1852 0.0000 0.0000 62.7137 32.6658 174.9975 10 A 5.0405 8.4944 124.8224 50.3267 23.1710 174.4428 11 R 4.8069 8.6474 121.2345 54.1724 33.0059 175.0775 12 A 4.2967 8.9487 128.6059 51.7848 18.4237 178.2769 13 K 3.7621 9.0634 123.4473 59.5815 32.5599 177.9355 14 F 5.1160 7.7505 115.8695 55.3426 43.1826 174.4515 15 D 4.7834 8.9813 120.9500 53.7226 40.2993 175.3208 16 F 4.7827 9.5294 123.3551 56.2674 42.9299 173.3401 17 K 4.6758 7.9058 125.2665 55.1418 33.6903 176.1381 18 A 4.5965 8.7320 129.4216 51.3319 18.5090 176.8219 19 Q 4.1315 8.9924 122.6859 59.1402 29.0748 176.3694 20 T 4.7956 7.4937 105.5488 59.2408 72.2274 174.3405 21 L 3.9771 8.8229 120.4740 58.2223 41.8562 178.8804 22 K 4.0415 8.1016 119.1666 58.7942 32.2497 175.5765 23 E 5.2361 7.7142 116.0925 54.9836 31.3603 175.4935 24 L 5.0378 8.1863 123.3572 52.4812 44.6833 174.6101 25 P 5.0811 0.0000 0.0000 63.3900 32.5283 175.0839 26 L 4.5783 8.9221 119.5739 53.7709 46.8107 174.7999 27 Q 4.7396 8.2809 118.2508 53.7091 33.2775 174.3932 28 K 4.1811 8.8691 124.1738 59.6847 30.8944 174.8191 29 G 3.7291 8.9689 118.0820 45.4728 0.0000 172.6190 30 D 4.5123 8.3901 121.4533 54.5474 41.7895 175.9633 31 I 4.7030 8.2134 123.0032 60.4189 39.2055 175.1239 32 V 4.5386 8.7522 117.4067 60.1766 36.9867 173.8079 33 Y 4.7689 8.0403 118.6691 56.2481 40.6306 175.6127 34 I 4.1918 8.5270 127.3332 61.2559 37.5020 176.8134 35 Y 4.5507 8.6815 126.8161 60.4346 38.6585 175.7879 36 K 4.7602 8.0070 116.1400 55.7282 36.9960 174.7408 37 Q 4.8743 8.4938 121.0882 54.2814 30.1623 174.8975 38 I 3.7999 8.3300 127.0304 63.8494 37.8557 175.9302 39 D 4.8381 7.6733 116.5758 52.6402 44.7839 176.0534 40 Q 4.0527 8.7047 119.5217 58.8731 29.1748 176.2959 41 N 5.0422 8.1371 113.6329 52.5132 41.2714 173.5172 42 W 5.3380 7.9808 117.7410 55.6123 34.4550 173.3145 43 Y 4.9552 9.1549 118.1524 57.0076 42.8924 173.7165 44 E 4.6691 8.4020 120.2549 54.3873 33.0447 173.8539 45 G 4.3296 8.3882 113.5616 46.7163 0.0000 170.9238 46 E 5.2474 8.6037 120.9983 55.3899 34.0762 175.5247 47 H 4.5369 9.9008 122.7823 56.7422 33.4566 173.0825 48 H 4.0272 9.1863 127.9552 57.9426 27.1953 173.9615 49 G 4.1022 8.0900 99.9258 46.3491 0.0000 172.4762 50 R 4.6852 7.6985 117.0787 53.9760 33.3104 173.5507 51 V 4.9432 8.0793 123.6681 61.5683 34.0061 175.2162 52 G 4.3136 8.2494 113.5163 46.2601 0.0000 171.8563 53 I 4.9482 8.4849 114.6354 59.4099 41.4961 175.0465 54 F 4.9881 8.1986 117.0744 54.8234 40.6519 172.1248 55 P 4.3327 0.0000 0.0000 61.8748 32.0282 177.5896 56 R 4.3231 8.1945 116.0499 58.8730 29.9325 177.9049 57 T 4.2735 7.9029 111.4792 63.6056 67.8437 173.7520 58 Y 4.7837 8.1181 118.0267 59.0374 40.2181 175.4895 59 I 4.8411 7.5459 110.2579 59.0414 40.9254 175.1654 60 E 4.4384 9.0087 122.4673 54.1621 32.4145 173.9778 61 L 4.2593 8.7107 127.8016 55.0784 42.0071 177.3347 62 L 4.1698 8.3683 124.4023 54.9326 42.6476 176.9711 63 S 4.6341 9.3673 113.7859 55.6219 66.1156 169.4896 64 G 3.9255 9.0944 120.1370 44.3578 0.0000 172.3316 65 P 4.2609 0.0000 0.0000 62.6767 32.1481 177.3617 66 S 4.2755 8.2709 118.3483 57.5858 63.9178 174.0166 67 S 4.4925 8.5835 124.5255 56.7319 64.2374 174.5367 68 G 3.7686 8.5471 113.0638 45.4913 0.0000 171.9125 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 G 8.35 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 7.85 4.55 0.00 3.90 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.27 4.88 0.00 3.77 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 4 G 9.23 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 0.00 0.00 0.00 5 S 9.14 4.66 0.00 3.86 3.78 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 6 S 8.64 4.53 0.00 3.81 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 G 9.27 4.06 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 0.00 0.00 0.00 8 R 8.67 4.88 0.00 1.62 1.77 0.00 3.09 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 9 P 0.00 4.19 0.00 1.94 1.97 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.95 0.00 10 A 8.49 5.04 1.08 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 0.00 0.00 0.00 0.00 0.00 11 R 8.65 4.81 0.00 1.78 1.67 0.00 3.01 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.59 0.00 12 A 8.95 4.30 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 13 K 9.06 3.76 0.00 1.44 0.74 0.00 1.35 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.52 0.00 0.00 0.00 0.00 1.30 1.44 7.81 14 F 7.75 5.12 0.00 2.73 2.84 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 15 D 8.98 4.78 0.00 2.74 2.74 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 0.00 0.00 0.00 16 F 9.53 4.78 0.00 2.94 2.84 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 17 K 7.91 4.68 0.00 1.72 1.73 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.72 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.94 1.21 7.81 18 A 8.73 4.60 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.99 4.13 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 20 T 7.49 4.80 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 1.23 0.00 0.00 21 L 8.82 3.98 0.00 1.68 1.81 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.10 4.04 0.00 1.77 1.84 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.46 7.81 23 E 7.71 5.24 0.00 2.04 2.20 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 2.70 2.34 0.00 24 L 8.19 5.04 0.00 1.82 1.73 1.11 1.27 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 25 P 0.00 5.08 0.00 2.15 2.12 0.00 3.90 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 26 L 8.92 4.58 0.00 1.59 1.43 0.19 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.28 4.74 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.08 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 28 K 8.87 4.18 0.00 1.75 1.77 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.78 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.44 7.81 29 G 8.97 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 30 D 8.39 4.51 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.21 4.70 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.72 0.71 0.00 0.00 32 V 8.75 4.54 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 0.54 0.00 0.00 0.82 0.00 0.00 33 Y 8.04 4.77 0.00 2.60 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.53 4.19 1.68 0.00 0.00 0.29 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 0.49 0.93 0.00 0.00 35 Y 8.68 4.55 0.00 2.94 2.97 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 36 K 8.01 4.76 0.00 1.84 1.96 0.00 1.49 0.00 0.00 1.83 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.58 1.49 7.81 37 Q 8.49 4.87 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.08 0.00 0.00 0.00 0.00 0.00 2.16 1.97 0.00 38 I 8.33 3.80 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.92 0.74 0.00 0.00 39 D 7.67 4.84 0.00 2.95 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 40 Q 8.70 4.05 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 7.38 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 41 N 8.14 5.04 0.00 2.65 2.52 0.00 0.00 6.90 7.67 0.00 0.00 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 7.98 5.34 0.00 3.21 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 43 Y 9.15 4.96 0.00 2.59 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 44 E 8.40 4.67 0.00 1.98 1.93 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 2.34 2.40 0.00 45 G 8.39 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.60 5.25 0.00 2.38 1.97 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 2.40 2.52 0.00 47 H 9.90 4.54 0.00 3.07 3.07 0.00 5.76 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 9.19 4.03 0.00 3.21 3.40 0.00 5.93 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 49 G 8.09 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.70 4.69 0.00 2.16 1.92 0.00 3.11 0.00 0.00 3.18 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 51 V 8.08 4.94 2.17 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 1.07 0.00 0.00 1.05 0.00 0.00 52 G 8.25 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 53 I 8.48 4.95 1.94 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.93 0.00 0.00 54 F 8.20 4.99 0.00 2.76 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 55 P 0.00 4.33 0.00 2.06 1.17 0.00 3.32 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.52 0.00 56 R 8.19 4.32 0.00 2.30 2.36 0.00 3.02 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 57 T 7.90 4.27 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 58 Y 8.12 4.78 0.00 3.22 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 59 I 7.55 4.84 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.89 0.00 0.00 60 E 9.01 4.44 0.00 1.94 1.84 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 2.14 2.24 0.00 61 L 8.71 4.26 0.00 1.53 1.59 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.37 4.17 0.00 1.53 1.56 0.78 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.37 4.63 0.00 3.75 3.66 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 64 G 9.09 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 0.00 0.00 0.00 65 P 0.00 4.26 0.00 2.23 2.13 0.00 3.79 0.00 0.00 3.58 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 66 S 8.27 4.28 0.00 3.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.58 4.49 0.00 3.86 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.55 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00