NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6506 8.3049 118.1950 54.6852 34.3026 174.1747 2 K 4.2599 7.3020 123.5883 56.2621 37.7306 177.2935 3 A 4.3940 9.7001 135.0000 54.1536 20.1329 179.6568 4 K 4.0141 8.1027 114.4434 58.9566 32.7539 177.4435 5 E 4.5993 7.3432 119.4428 54.2554 28.1657 176.5182 6 L 4.3739 7.9090 117.7612 54.5696 46.4019 176.6061 7 R 3.8080 8.7822 125.0000 57.9843 28.2938 176.3648 8 E 4.4584 7.7390 111.2389 55.1606 29.6031 174.1061 9 K 3.5291 8.0379 122.3928 57.0064 31.7502 174.8465 10 S 4.2689 8.5648 120.8164 61.4570 61.9957 175.6049 11 V 3.7855 7.7293 118.7147 64.7479 31.4863 176.9455 12 E 4.2213 8.5106 118.5622 59.6637 29.6400 178.1770 13 E 4.2263 7.9140 119.3338 58.4788 29.0105 179.6924 14 L 3.9882 7.8219 118.6330 57.8265 41.9554 177.9762 15 N 4.8517 8.0742 113.3366 53.8803 38.4164 176.0027 16 T 4.3046 7.4907 116.6011 65.8204 69.5289 177.3289 17 E 4.2645 7.9267 119.4906 58.3004 29.8340 179.0148 18 L 3.9100 7.4399 119.1475 57.3979 42.0668 177.4545 19 L 4.5593 7.8192 115.7908 54.6173 42.3065 177.3019 20 N 4.5062 8.0856 117.9280 56.2187 38.8084 176.8495 21 L 4.2885 7.7041 115.0768 55.2172 42.4035 179.1117 22 L 4.3124 7.2281 121.3969 54.6088 42.5267 177.1473 23 R 3.9603 8.8808 113.5423 59.9356 30.0965 178.0299 24 E 4.2602 8.1767 114.7239 57.8062 29.8591 177.0293 25 Q 4.4042 7.8063 117.9236 56.3320 31.6367 176.9005 26 F 4.0725 9.4855 119.9771 61.5295 39.8413 176.8870 27 N 4.3966 8.5225 115.7884 55.6317 38.1943 177.2996 28 L 4.0117 7.8778 121.8641 57.8935 41.9680 177.9878 29 R 4.4871 7.6165 115.5783 56.3464 28.6831 176.3427 30 M 4.4999 7.7382 117.4212 55.2217 32.6921 176.6952 31 Q 4.4864 7.7259 115.5824 55.7018 30.8502 177.2007 32 A 4.0820 7.9956 117.3933 52.7950 18.1793 177.1144 33 A 4.5832 8.2095 119.7589 54.7440 23.4880 179.1070 34 S 4.2235 7.6188 106.8523 58.8732 63.3111 174.3734 35 G 4.0042 7.5620 109.0995 46.7145 0.0000 173.2626 36 Q 4.4270 7.0712 114.6677 54.7417 33.1140 172.7258 37 L 3.4866 8.4936 126.4539 54.9293 40.8672 174.6762 38 Q 4.3054 8.5260 121.2923 56.2674 29.4928 177.1060 39 Q 4.2563 7.6604 118.0087 55.5486 27.0928 176.4792 40 S 4.0820 8.5247 119.7967 61.7339 63.4356 176.3165 41 H 4.4162 8.1608 114.3632 56.8763 27.8206 176.9283 42 L 3.8174 7.5646 123.9010 58.3732 42.0647 178.0702 43 L 4.1053 7.1395 116.4928 57.8820 41.6023 179.1182 44 K 4.0609 8.0465 118.6793 59.1225 32.1978 176.8347 45 Q 4.2746 8.4499 117.8904 55.7679 29.5803 176.4445 46 V 3.3694 8.4265 115.0535 63.6004 30.0984 171.6995 47 R 4.4092 7.0285 115.2905 56.2048 33.0692 177.3920 48 R 3.8315 7.1452 115.6285 59.9525 30.7559 178.3805 49 D 4.4161 8.0941 117.7357 57.1277 40.3823 178.7502 50 V 3.6850 8.6603 119.4688 65.5092 31.4184 177.5218 51 A 4.1406 7.9645 119.8903 54.0438 18.1612 179.0650 52 R 4.1492 8.1531 116.9320 57.9740 30.6822 178.4352 53 V 3.8025 7.3306 115.5002 64.3272 31.6624 176.6086 54 K 4.3935 7.7752 115.8299 59.2486 33.5856 177.7115 55 T 3.8647 7.9656 115.9900 67.0474 68.2922 176.3761 56 L 4.0872 7.9643 119.2579 56.6138 41.8000 177.9403 57 L 4.3264 7.9496 120.1878 55.7432 42.8217 177.8297 58 N 4.3536 8.2625 116.3224 56.0343 38.9015 176.6656 59 E 4.2145 8.0757 113.5505 57.6763 29.6131 176.4916 60 K 4.1732 7.2845 120.3323 56.8301 32.4307 176.3892 61 A 4.2113 7.8742 121.7810 52.0060 18.2698 178.6649 62 G 4.1662 9.9522 112.8846 46.2425 0.0000 172.6253 63 A 4.1629 7.7696 126.0421 52.4224 19.3550 175.5428 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 4.65 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 K 7.30 4.26 0.00 1.80 0.78 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 A 9.70 4.39 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.10 4.01 0.00 1.74 1.90 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.45 1.54 7.81 5 E 7.34 4.60 0.00 2.05 1.91 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 2.31 2.43 0.00 6 L 7.91 4.37 0.00 1.71 1.53 0.92 0.83 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 7 R 8.78 3.81 0.00 1.94 2.00 0.00 3.17 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 8 E 7.74 4.46 0.00 2.06 1.91 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 2.15 2.19 0.00 9 K 8.04 3.53 0.00 1.98 2.02 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.53 7.81 10 S 8.56 4.27 0.00 3.92 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.73 3.79 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 0.93 0.00 0.00 0.93 0.00 0.00 12 E 8.51 4.22 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 13 E 7.91 4.23 0.00 2.15 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 0.00 2.34 2.38 0.00 14 L 7.82 3.99 0.00 1.70 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.07 4.85 0.00 2.73 2.83 0.00 0.00 7.03 7.64 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 16 T 7.49 4.30 4.39 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 1.21 0.00 0.00 17 E 7.93 4.26 0.00 2.03 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 2.40 2.26 0.00 18 L 7.44 3.91 0.00 1.86 1.70 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.82 4.56 0.00 1.79 1.67 0.99 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.09 4.51 0.00 3.00 2.84 0.00 0.00 6.99 6.26 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 21 L 7.70 4.29 0.00 1.66 1.75 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.23 4.31 0.00 1.94 1.58 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.88 3.96 0.00 1.93 2.36 0.00 3.47 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 24 E 8.18 4.26 0.00 1.98 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 0.00 2.33 2.31 0.00 25 Q 7.81 4.40 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 26 F 9.49 4.07 0.00 3.07 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 27 N 8.52 4.40 0.00 3.05 2.89 0.00 0.00 6.76 6.35 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 28 L 7.88 4.01 0.00 1.72 1.71 0.96 0.98 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 29 R 7.62 4.49 0.00 1.86 1.80 0.00 3.16 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 30 M 7.74 4.50 0.00 1.97 1.78 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 31 Q 7.73 4.49 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 32 A 8.00 4.08 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 33 A 8.21 4.58 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 34 S 7.62 4.22 0.00 3.89 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 35 G 7.56 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 0.00 0.00 0.00 36 Q 7.07 4.43 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.56 6.11 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 37 L 8.49 3.49 0.00 1.97 1.66 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.53 4.31 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 7.34 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 39 Q 7.66 4.26 0.00 2.06 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.86 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 40 S 8.52 4.08 0.00 3.89 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 41 H 8.16 4.42 0.00 3.54 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.56 3.82 0.00 1.89 1.68 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.14 4.11 0.00 1.75 1.73 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.05 4.06 0.00 1.88 2.02 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.61 7.81 45 Q 8.45 4.27 0.00 2.40 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 5.90 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 46 V 8.43 3.37 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 0.87 0.00 0.00 1.05 0.00 0.00 47 R 7.03 4.41 0.00 2.05 1.79 0.00 3.19 0.00 0.00 3.17 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 48 R 7.15 3.83 0.00 1.94 2.01 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 49 D 8.09 4.42 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 3.68 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 1.06 0.00 0.00 0.99 0.00 0.00 51 A 7.96 4.14 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 52 R 8.15 4.15 0.00 2.01 1.97 0.00 3.23 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 53 V 7.33 3.80 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.01 0.00 0.00 54 K 7.78 4.39 0.00 1.81 1.79 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.71 7.81 55 T 7.97 3.86 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 1.21 0.00 0.00 56 L 7.96 4.09 0.00 1.80 1.73 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 57 L 7.95 4.33 0.00 1.68 1.72 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.26 4.35 0.00 3.08 2.83 0.00 0.00 6.61 7.41 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 59 E 8.08 4.21 0.00 2.07 2.07 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 2.37 2.30 0.00 60 K 7.28 4.17 0.00 1.82 2.04 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.44 1.38 7.81 61 A 7.87 4.21 1.33 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 62 G 9.95 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 0.00 0.00 0.00 0.00 63 A 7.77 4.16 1.20 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 0.00 0.00 0.00 0.00 0.00