NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4310 8.3044 120.3282 54.5622 33.4386 174.5906 2 K 3.8431 8.4396 122.0446 56.2129 32.6364 175.3310 3 R 4.5620 8.0817 125.4960 54.5936 33.1738 175.8448 4 T 3.9339 8.5295 108.4086 64.2932 68.6840 174.2923 5 W 4.8322 8.1334 132.2468 56.1713 31.0860 175.8988 6 Q 4.1814 7.3905 125.3193 51.9892 28.5546 171.9028 7 P 3.1435 0.0000 0.0000 62.6006 31.9868 177.1389 8 N 4.5119 8.1728 119.6666 51.5448 41.2979 174.8410 9 R 3.9250 8.6416 128.1833 59.3856 30.2589 178.6853 10 R 3.8711 7.9807 117.7642 59.5059 30.0732 177.7091 11 K 3.7660 8.2357 118.6089 59.7832 32.0685 177.9085 12 R 4.0176 8.3271 118.4614 59.7468 29.8861 178.3856 13 A 4.0565 8.1779 120.0546 55.2399 18.2551 179.7713 14 K 3.9101 8.2319 116.1509 59.6735 32.0995 179.5775 15 T 4.0882 8.2773 115.5895 66.2968 68.7035 175.5664 16 H 4.8485 7.8507 114.0271 55.1896 29.4576 175.2580 17 G 3.8860 8.2020 110.1926 45.2947 0.0000 174.7216 18 F 4.0265 9.0604 122.9201 61.2868 39.6197 177.5689 19 R 4.0503 8.2087 116.6678 59.2086 29.9850 178.4770 20 A 3.9311 8.0006 119.8404 55.5778 18.3279 179.5300 21 R 3.8282 8.1797 116.6077 59.9570 29.8425 179.1611 22 M 3.9804 7.3843 117.2774 57.9057 31.9421 178.7159 23 R 3.9728 7.6891 117.9145 58.3100 30.8711 177.1283 24 T 4.3700 7.1927 112.7327 60.2638 68.8343 173.5684 25 P 4.3471 0.0000 0.0000 65.7809 31.4011 179.0961 26 G 3.6907 8.0696 105.4442 47.5560 0.0000 176.0105 27 G 3.8092 7.7618 108.9911 47.1082 0.0000 175.6840 28 R 3.9026 8.1320 120.7750 59.0728 29.3736 179.2894 29 K 3.9449 7.9994 117.9582 59.2432 31.9844 179.2459 30 V 3.7081 7.4612 118.1163 66.1535 31.3411 177.8460 31 L 3.9708 7.8504 118.2703 57.8299 41.4529 179.2056 32 K 3.8274 8.2312 119.5167 59.6541 32.0980 178.2173 33 R 3.8928 9.2742 119.0319 60.0630 29.9346 178.1856 34 R 3.9308 8.4715 117.7939 59.0150 29.8568 178.8628 35 R 3.9143 8.0408 117.7330 59.6999 30.3482 178.1345 36 Q 4.1339 8.1049 117.8174 59.5208 29.0446 178.6290 37 K 4.1652 7.8678 118.9085 58.7119 32.2246 177.4461 38 G 4.2967 8.3270 107.2696 45.5351 0.0000 174.0028 39 R 4.1655 7.9302 117.4564 55.9191 30.5818 176.9355 40 W 4.6800 8.6255 119.4685 58.0413 30.2373 176.8707 41 R 4.6564 7.8305 117.0396 54.1258 31.8443 176.1508 42 L 4.0272 8.7969 123.9226 56.9101 42.1010 177.5315 43 T 4.7854 7.0367 111.5109 60.4263 71.6893 172.0582 44 P 4.2317 0.0000 0.0000 62.8382 31.7979 176.4037 45 A 4.1881 8.5041 126.1906 51.8551 19.1370 176.9459 46 V 4.1058 7.8274 116.1279 62.5059 34.2715 172.2163 47 R 4.2511 8.8696 123.2634 56.2752 29.5575 175.9566 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 4.43 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 2 K 8.44 3.84 0.00 1.79 1.72 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.52 7.81 3 R 8.08 4.56 0.00 1.90 1.93 0.00 3.46 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 4 T 8.53 3.93 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 1.26 0.00 0.00 5 W 8.13 4.83 0.00 3.30 3.08 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 6 Q 7.39 4.18 0.00 1.78 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.49 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 7 P 0.00 3.14 0.00 2.14 2.25 0.00 3.44 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.05 0.00 8 N 8.17 4.51 0.00 2.62 2.52 0.00 0.00 7.21 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 9 R 8.64 3.93 0.00 1.90 2.00 0.00 3.21 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.71 0.00 10 R 7.98 3.87 0.00 1.87 1.92 0.00 3.20 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 8.24 3.77 0.00 2.00 1.99 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.59 7.81 12 R 8.33 4.02 0.00 2.12 2.18 0.00 3.46 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.87 0.00 13 A 8.18 4.06 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.23 3.91 0.00 1.91 1.89 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.62 7.81 15 T 8.28 4.09 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 0.85 0.00 0.00 16 H 7.85 4.85 0.00 3.18 3.32 0.00 5.66 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 17 G 8.20 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 9.06 4.03 0.00 3.06 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 19 R 8.21 4.05 0.00 1.95 2.00 0.00 3.27 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.88 0.00 20 A 8.00 3.93 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 21 R 8.18 3.83 0.00 1.76 1.87 0.00 3.26 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.82 0.00 22 M 7.38 3.98 0.00 1.86 2.05 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.82 0.00 23 R 7.69 3.97 0.00 1.88 1.97 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 24 T 7.19 4.37 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 1.27 0.00 0.00 25 P 0.00 4.35 0.00 2.29 2.28 0.00 3.74 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 2.06 2.02 0.00 26 G 8.07 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 27 G 7.76 3.81 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 0.00 0.00 0.00 28 R 8.13 3.90 0.00 2.00 1.98 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.90 0.00 29 K 8.00 3.94 0.00 2.01 1.85 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.58 7.81 30 V 7.46 3.71 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 1.10 0.00 0.00 1.00 0.00 0.00 31 L 7.85 3.97 0.00 1.91 1.73 0.64 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.23 3.83 0.00 1.89 1.99 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 33 R 9.27 3.89 0.00 2.18 1.99 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 34 R 8.47 3.93 0.00 2.05 1.98 0.00 3.29 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 35 R 8.04 3.91 0.00 1.96 2.07 0.00 3.24 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 36 Q 8.10 4.13 0.00 2.18 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 37 K 7.87 4.17 0.00 1.87 2.03 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 G 8.33 4.30 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 0.00 39 R 7.93 4.17 0.00 1.88 1.94 0.00 3.35 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 40 W 8.63 4.68 0.00 3.20 3.25 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 41 R 7.83 4.66 0.00 1.92 2.10 0.00 3.27 0.00 0.00 3.38 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 42 L 8.80 4.03 0.00 1.79 1.84 1.07 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.04 4.79 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 1.36 0.00 0.00 44 P 0.00 4.23 0.00 2.08 2.01 0.00 3.89 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 45 A 8.50 4.19 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 46 V 7.83 4.11 2.15 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 0.83 0.00 0.00 1.02 0.00 0.00 47 R 8.87 4.25 0.00 1.96 1.89 0.00 3.13 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00