NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3266 8.1233 123.5844 52.2537 19.8918 176.9120 3 E 3.9699 8.5761 123.7663 58.7767 30.0312 177.3090 4 A 4.1149 8.0307 120.3273 54.6405 18.9889 179.0289 5 L 3.8533 7.8590 118.9977 58.3449 42.3081 178.7716 6 F 3.9263 7.8426 119.7757 61.1437 39.0768 177.3130 7 K 4.1920 8.0152 117.4981 59.2360 31.8853 178.6836 8 E 4.0620 8.2725 119.3688 59.2804 29.6437 178.6857 9 I 3.7116 7.1829 118.8507 63.3533 38.4208 177.5065 10 D 4.5845 7.9044 120.9954 53.7287 37.9057 176.4646 11 V 3.5404 7.7142 123.3204 64.8845 32.2031 176.2872 12 N 4.6581 8.1024 114.8162 51.7990 37.2961 174.9288 13 G 3.9985 7.5896 106.2396 47.1056 0.0000 174.0065 14 D 4.6745 8.6941 116.0580 52.5840 39.5903 177.3901 15 G 4.0887 8.8364 108.8369 45.4749 0.0000 173.7350 16 A 4.8100 8.4637 122.6084 50.1566 21.1895 175.8218 17 V 3.9719 8.3589 122.7903 61.5897 31.9882 176.5665 18 S 4.6102 8.4529 123.2665 57.3591 65.6994 174.4960 19 Y 4.0648 8.3812 121.3709 60.8303 38.5195 177.1146 20 E 3.8044 8.2942 119.0546 59.7497 29.6206 179.2449 21 E 4.0217 7.9007 118.3757 59.2361 29.3588 179.6444 22 V 3.5793 7.6772 118.4957 65.7877 31.6620 178.0733 23 K 3.7503 7.9649 119.4277 59.3322 31.9908 178.7300 24 A 4.0103 8.4353 121.6025 54.6873 18.1928 179.5438 25 F 4.0014 8.2509 119.4067 61.5263 39.5671 177.6098 26 V 3.3791 8.0957 118.2250 65.8391 31.3117 177.8787 27 S 3.9764 7.8142 112.5934 61.3106 62.3273 176.3531 28 K 3.9988 7.9888 121.1570 59.2737 32.3963 179.0939 29 K 3.6470 7.7544 121.4468 59.2236 32.0380 178.7318 30 R 3.7816 7.8126 118.7889 59.3345 30.0084 178.2784 31 A 3.9586 7.8046 120.3972 55.2708 18.3485 179.7178 32 I 3.6200 7.8200 118.3065 64.3748 37.1017 178.6241 33 K 3.9456 8.0537 120.5116 59.4128 31.9601 178.7328 34 N 4.3337 8.1743 116.9544 56.1505 38.4999 177.1451 35 E 3.9131 8.0891 119.9462 59.7102 29.6385 179.4111 36 Q 4.0615 8.1378 117.9044 58.9190 28.7085 178.9701 37 L 3.9522 7.7733 120.9676 57.9030 42.1607 178.7077 38 L 3.9544 7.9161 120.2904 58.3702 42.0990 178.9003 39 Q 4.0582 8.5564 118.3188 59.0057 28.7762 178.7249 40 L 4.0857 8.0474 121.2873 58.2015 41.9482 179.1475 41 I 3.7704 7.9522 119.9818 64.1623 36.9162 177.9801 42 F 4.0476 8.6699 121.9966 61.2965 39.0928 177.0384 43 K 3.7942 8.6564 117.6873 59.9633 31.9968 178.8208 44 S 4.2273 7.7841 111.6455 60.8087 62.3448 175.7644 45 I 3.9136 6.8711 122.0290 63.1185 38.6343 177.1995 46 D 4.4420 7.7564 120.2307 52.9968 37.0115 176.1606 47 A 3.9522 7.8632 125.1206 54.4021 18.9585 178.3743 48 D 4.6588 8.0749 112.9453 52.3791 39.8226 176.7767 49 G 3.9878 8.2614 107.2534 46.7883 0.0000 174.5058 50 N 4.4740 8.7693 116.0062 53.2247 37.6793 175.8686 51 G 4.1431 10.7696 108.0988 45.3687 0.0000 172.9211 52 E 4.9214 8.2281 114.5703 54.9468 32.4442 174.4253 53 I 4.4679 8.2785 121.7592 59.8372 38.6861 176.1761 54 D 4.7616 8.8782 126.2771 52.2851 42.2022 177.3711 55 Q 4.0708 8.5286 118.1360 58.6377 28.5172 178.8740 56 N 4.3534 8.2723 117.9965 56.7267 39.1477 176.5148 57 E 4.0159 8.8774 120.4122 59.5441 29.4063 179.2528 58 F 4.1516 8.6029 120.4481 61.0831 39.1980 177.1423 59 A 4.1815 8.0326 119.7926 55.0499 18.5354 179.3638 60 K 4.0178 8.1840 117.0006 59.7346 32.1423 178.9274 61 F 4.2030 7.7362 122.1271 59.9623 39.0903 175.2784 62 Y 4.0010 7.2510 114.2427 57.0076 39.2544 173.5658 63 G 3.2015 10.0029 107.6457 46.2798 0.0000 173.9527 64 S 3.3099 7.5920 106.9601 63.6029 62.0288 175.2564 65 I 2.7436 7.6489 115.2549 64.0195 35.2176 173.8143 66 Q 4.2128 7.0320 129.0416 54.2971 30.8417 172.1575 67 G 4.2278 8.3926 111.5682 45.1664 0.0000 171.6782 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 2 A 8.12 4.33 1.32 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 0.00 0.00 0.00 3 E 8.58 3.97 0.00 2.08 1.99 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 2.35 2.37 0.00 4 A 8.03 4.11 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 5 L 7.86 3.85 0.00 1.78 1.69 0.92 0.91 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 6 F 7.84 3.93 0.00 3.26 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 7 K 8.02 4.19 0.00 1.99 1.89 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.65 7.81 8 E 8.27 4.06 0.00 2.12 2.03 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 2.42 2.40 0.00 9 I 7.18 3.71 1.30 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.53 0.00 0.00 10 D 7.90 4.58 0.00 2.16 2.46 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 0.00 11 V 7.71 3.54 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.97 0.00 0.00 12 N 8.10 4.66 0.00 2.85 2.88 0.00 0.00 6.98 6.75 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 13 G 7.59 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 14 D 8.69 4.67 0.00 2.79 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 15 G 8.84 4.09 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 0.00 0.00 0.00 16 A 8.46 4.81 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 17 V 8.36 3.97 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 0.69 0.00 0.00 -0.02 0.00 0.00 18 S 8.45 4.61 0.00 4.17 4.01 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 19 Y 8.38 4.06 0.00 3.10 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 20 E 8.29 3.80 0.00 2.10 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 2.42 2.47 0.00 21 E 7.90 4.02 0.00 2.00 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 2.28 2.27 0.00 22 V 7.68 3.58 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 1.06 0.00 0.00 0.90 0.00 0.00 23 K 7.96 3.75 0.00 1.29 1.66 0.00 1.50 0.00 0.00 1.52 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.31 7.81 24 A 8.44 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 4.00 0.00 3.13 3.24 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 0.00 26 V 8.10 3.38 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.05 0.00 0.00 27 S 7.81 3.98 0.00 3.99 3.97 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 28 K 7.99 4.00 0.00 1.96 1.97 0.00 1.29 0.00 0.00 1.53 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.18 7.81 29 K 7.75 3.65 0.00 1.14 1.67 0.00 1.56 0.00 0.00 1.23 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.26 7.81 30 R 7.81 3.78 0.00 1.94 2.02 0.00 3.12 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 1.58 1.61 0.00 31 A 7.80 3.96 1.32 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 0.00 0.00 0.00 32 I 7.82 3.62 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.73 0.87 0.00 0.00 33 K 8.05 3.95 0.00 2.02 1.77 0.00 1.49 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.51 7.81 34 N 8.17 4.33 0.00 2.97 2.83 0.00 0.00 6.97 7.80 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 35 E 8.09 3.91 0.00 2.16 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 2.46 2.47 0.00 36 Q 8.14 4.06 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.57 0.00 37 L 7.77 3.95 0.00 1.73 1.80 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.92 3.95 0.00 2.02 1.64 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.56 4.06 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 40 L 8.05 4.09 0.00 1.85 1.89 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.95 3.77 2.06 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 1.44 0.72 0.85 0.00 0.00 42 F 8.67 4.05 0.00 3.15 3.24 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 0.00 43 K 8.66 3.79 0.00 1.97 1.92 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.72 7.81 44 S 7.78 4.23 0.00 3.90 4.07 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 0.00 0.00 0.00 45 I 6.87 3.91 1.56 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 0.68 0.46 0.64 0.00 0.00 46 D 7.76 4.44 0.00 2.00 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 0.00 0.00 0.00 0.00 47 A 7.86 3.95 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 48 D 8.07 4.66 0.00 2.71 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 49 G 8.26 3.99 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 0.00 0.00 0.00 50 N 8.77 4.47 0.00 2.85 3.02 0.00 0.00 7.02 7.86 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 51 G 10.77 4.14 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 0.00 0.00 0.00 52 E 8.23 4.92 0.00 2.15 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 2.48 2.30 0.00 53 I 8.28 4.47 1.90 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.13 1.01 0.00 0.00 54 D 8.88 4.76 0.00 2.96 2.81 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 55 Q 8.53 4.07 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 56 N 8.27 4.35 0.00 2.79 2.94 0.00 0.00 7.23 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 57 E 8.88 4.02 0.00 2.16 2.22 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 2.32 2.49 0.00 58 F 8.60 4.15 0.00 3.26 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 59 A 8.03 4.18 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.18 4.02 0.00 1.88 1.90 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.49 7.81 61 F 7.74 4.20 0.00 2.94 3.10 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 62 Y 7.25 4.00 0.00 2.83 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 63 G 10.00 3.20 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 0.00 64 S 7.59 3.31 0.00 4.11 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 65 I 7.65 2.74 0.85 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.35 0.61 0.00 0.00 66 Q 7.03 4.21 0.00 2.07 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.98 0.00 0.00 0.00 0.00 0.00 2.19 1.91 0.00 67 G 8.39 4.23 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 0.00