NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4814 8.3049 120.2640 55.3570 34.6804 174.0251 2 Q 4.3598 8.2476 120.0956 53.0868 33.3274 172.9567 3 K 4.9904 8.1514 120.1013 55.6144 36.5890 174.4239 4 G 4.2786 8.5491 106.4492 46.1632 0.0000 171.7161 5 R 5.1381 8.3328 119.6660 54.0650 33.2321 175.1299 6 V 4.0257 8.8887 127.4760 63.2554 31.8988 176.4465 7 K 4.3488 9.4460 130.4066 58.8650 33.1086 176.6885 8 W 4.9528 8.0474 126.1864 56.6070 34.0734 173.1496 9 F 4.2619 7.9487 127.6678 56.5435 42.1649 173.0134 10 N 3.9427 6.9646 125.8171 51.7138 38.6937 175.2709 11 A 4.0697 8.4015 130.4907 55.1517 18.9346 178.1712 12 E 3.9600 8.1034 115.4132 59.0612 29.7415 177.8241 13 K 4.0617 8.1919 116.1246 56.2196 32.7372 177.0948 14 G 3.7960 8.7722 107.7309 45.8076 0.0000 172.4081 15 Y 4.5929 6.0387 115.0613 56.1413 41.5564 173.7152 16 G 3.8539 8.0843 105.6847 45.9749 0.0000 171.6973 17 F 5.5142 9.1839 117.4598 55.8320 43.5164 174.1402 18 I 4.8921 8.9424 123.5844 59.5100 39.9248 174.3692 19 E 4.8709 9.5075 128.1717 55.6143 31.2218 175.1172 20 R 5.0496 8.4104 124.3911 53.9060 33.9879 174.7286 21 E 4.0362 8.9750 123.7849 57.3911 29.6183 176.3887 22 G 3.9181 9.2594 114.8388 46.1777 0.0000 171.5371 23 D 4.6824 7.7285 117.2015 52.5472 44.6884 174.3792 24 T 4.2549 8.1771 115.5512 61.2955 68.0514 173.6196 25 D 4.8615 8.4778 125.3884 54.6156 42.0307 175.7365 26 V 4.6735 8.7607 121.1120 60.9974 34.3003 174.6664 27 F 4.7763 9.5810 131.3570 58.0716 40.7751 174.2383 28 V 4.3255 7.8591 124.7776 60.0578 34.2410 174.1728 29 H 5.1559 8.3098 124.3137 54.3673 32.1431 175.1731 30 Y 4.3027 8.3514 121.0145 59.8033 38.1707 178.2926 31 T 3.6267 6.9548 109.4419 63.7664 69.0394 174.8514 32 A 4.1702 8.0221 124.6083 53.0973 18.9197 176.7640 33 I 4.4143 7.4317 117.9154 60.0528 37.6499 175.9440 34 N 4.3984 8.9168 123.8194 53.3738 38.9097 175.9999 35 A 4.3820 8.2469 124.6200 51.7310 16.5663 177.2724 36 K 4.5750 8.1950 122.0103 56.6820 33.8737 177.2543 37 G 3.7544 8.4458 109.5558 45.1586 0.0000 174.8593 38 F 4.8978 7.7159 117.5878 55.8397 41.1483 175.2950 39 R 4.3972 8.7151 123.5445 56.5929 30.6339 175.7040 40 T 4.4009 7.4453 106.6761 59.5997 72.0246 172.5980 41 L 4.4615 5.7235 120.5203 52.7205 44.4420 175.7889 42 N 4.9325 8.6438 117.5306 50.7575 41.4484 174.1014 43 E 4.1312 8.6982 121.6895 58.4433 29.9330 176.5590 44 G 4.0754 9.3767 114.4300 45.3104 0.0000 173.7181 45 D 4.5586 8.0072 119.6137 55.1981 42.1497 176.1217 46 I 4.6842 8.6514 124.0249 60.8194 38.7119 175.4582 47 V 5.0846 9.0108 119.4930 59.8920 36.2975 174.6357 48 T 5.1867 8.5356 113.1504 60.5548 71.9378 172.9714 49 F 5.5758 7.8399 116.0519 57.6869 41.8685 171.9752 50 D 5.2822 9.0195 119.0313 52.4852 44.5545 175.3489 51 V 5.1491 8.3096 118.8758 61.3762 34.0611 174.1381 52 E 4.8740 8.6944 124.3822 53.9457 33.1729 173.2217 53 P 4.3378 0.0000 0.0000 62.9145 31.8026 176.0690 54 G 4.2393 8.2322 109.6332 44.2535 0.0000 172.0115 55 R 4.3479 8.3596 117.1963 56.3614 30.5422 176.5370 56 N 4.2745 7.6200 114.6722 54.3913 38.7880 175.5870 57 G 3.9516 8.0042 104.7470 46.5947 0.0000 173.6774 58 K 4.3453 8.0599 116.2804 55.5860 32.7008 176.6421 59 G 3.9582 8.3024 104.8701 43.4532 0.0000 171.8566 60 P 4.4757 0.0000 0.0000 63.1487 32.5153 175.5317 61 Q 5.2589 8.6928 122.6216 54.3178 32.0965 174.2646 62 A 4.8232 8.9638 128.3577 51.7892 19.8651 176.7473 63 V 4.3857 8.6784 113.0985 58.9629 36.9075 174.6595 64 N 4.2696 8.3008 117.1280 54.7532 37.1198 173.5399 65 V 4.7877 8.0654 118.9629 62.3102 33.7837 175.5468 66 T 4.9928 8.8076 123.9317 61.4291 72.2780 173.6105 67 V 3.7564 8.5955 125.8783 63.5408 31.8972 175.0831 68 V 4.1025 9.0171 128.1663 64.2359 32.2302 175.5468 69 E 4.6500 7.7560 122.6752 53.6312 32.1634 173.3945 70 P 4.6152 0.0000 0.0000 61.8854 32.3165 176.4830 71 A 3.9158 8.7110 124.9557 52.0646 18.6989 179.0815 72 R 4.3956 7.9409 122.4053 55.8229 29.3799 176.7769 73 R 4.0736 7.4278 119.9987 56.2940 29.8106 176.9147 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 4.48 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 3.32 0.00 2 Q 8.25 4.36 0.00 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.60 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 3 K 8.15 4.99 0.00 1.74 1.73 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.26 1.42 7.81 4 G 8.55 4.28 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 0.00 5 R 8.33 5.14 0.00 1.92 1.79 0.00 3.13 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 6 V 8.89 4.03 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 0.87 0.00 0.00 0.86 0.00 0.00 7 K 9.45 4.35 0.00 1.90 2.15 0.00 1.99 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.47 7.81 8 W 8.05 4.95 0.00 3.44 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.95 4.26 0.00 2.79 2.69 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 10 N 6.96 3.94 0.00 1.67 1.66 0.00 0.00 6.68 7.46 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 11 A 8.40 4.07 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 12 E 8.10 3.96 0.00 1.84 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 2.25 2.33 0.00 13 K 8.19 4.06 0.00 1.26 1.48 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.36 7.81 14 G 8.77 3.80 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 0.00 0.00 0.00 15 Y 6.04 4.59 0.00 2.70 2.96 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 0.00 0.00 0.00 16 G 8.08 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.18 5.51 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 18 I 8.94 4.89 1.55 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.71 0.76 0.00 0.00 19 E 9.51 4.87 0.00 2.08 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 2.33 2.34 0.00 20 R 8.41 5.05 0.00 1.87 1.88 0.00 3.44 0.00 0.00 3.74 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.74 0.00 21 E 8.97 4.04 0.00 1.96 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 2.32 2.33 0.00 22 G 9.26 3.92 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 0.00 0.00 0.00 23 D 7.73 4.68 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.18 4.25 4.28 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 1.28 0.00 0.00 25 D 8.48 4.86 0.00 2.67 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 26 V 8.76 4.67 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.10 0.00 0.00 27 F 9.58 4.78 0.00 3.29 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 28 V 7.86 4.33 1.86 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 0.75 0.00 0.00 0.84 0.00 0.00 29 H 8.31 5.16 0.00 3.11 3.08 0.00 5.67 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.35 4.30 0.00 3.29 3.45 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 31 T 6.95 3.63 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 0.42 0.00 0.00 32 A 8.02 4.17 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 33 I 7.43 4.41 2.01 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.96 0.00 0.00 34 N 8.92 4.40 0.00 2.78 2.77 0.00 0.00 7.05 7.26 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 35 A 8.25 4.38 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 36 K 8.20 4.57 0.00 1.72 1.74 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.39 7.81 37 G 8.45 3.75 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 0.00 0.00 0.00 38 F 7.72 4.90 0.00 2.95 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 39 R 8.72 4.40 0.00 1.79 1.98 0.00 3.14 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 40 T 7.45 4.40 4.08 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 1.21 0.00 0.00 41 L 5.72 4.46 0.00 0.76 1.31 0.69 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.64 4.93 0.00 2.76 2.57 0.00 0.00 6.94 7.42 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 43 E 8.70 4.13 0.00 2.00 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 2.35 2.61 0.00 44 G 9.38 4.08 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 0.00 45 D 8.01 4.56 0.00 2.50 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.65 4.68 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.08 0.94 0.00 0.00 47 V 9.01 5.08 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 0.70 0.00 0.00 1.02 0.00 0.00 48 T 8.54 5.19 4.20 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 1.21 0.00 0.00 49 F 7.84 5.58 0.00 3.28 3.14 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 50 D 9.02 5.28 0.00 2.63 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 51 V 8.31 5.15 2.19 0.00 0.00 0.00 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 1.21 0.00 0.00 52 E 8.69 4.87 0.00 1.92 1.89 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 2.24 2.32 0.00 53 P 0.00 4.34 0.00 2.07 2.04 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 54 G 8.23 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 0.00 0.00 0.00 0.00 55 R 8.36 4.35 0.00 1.76 1.91 0.00 3.22 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 56 N 7.62 4.27 0.00 2.91 2.23 0.00 0.00 6.88 7.53 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 57 G 8.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.35 0.00 0.88 1.87 0.00 0.61 0.00 0.00 1.21 0.00 0.00 2.58 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.16 0.95 7.81 59 G 8.30 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.48 0.00 2.18 2.08 0.00 3.80 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 2.19 2.16 0.00 61 Q 8.69 5.26 0.00 2.27 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.04 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 62 A 8.96 4.82 1.05 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 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.68 4.39 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 0.74 0.00 0.00 1.09 0.00 0.00 64 N 8.30 4.27 0.00 2.96 2.83 0.00 0.00 6.45 7.71 0.00 0.00 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 V 8.07 4.79 2.18 0.00 0.00 0.00 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 0.98 0.00 0.00 66 T 8.81 4.99 4.28 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 1.25 0.00 0.00 67 V 8.60 3.76 2.21 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 0.58 0.00 0.00 0.79 0.00 0.00 68 V 9.02 4.10 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 0.83 0.00 0.00 0.95 0.00 0.00 69 E 7.76 4.65 0.00 1.90 1.80 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 2.28 2.30 0.00 70 P 0.00 4.62 0.00 1.80 1.51 0.00 3.68 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 2.07 1.89 0.00 71 A 8.71 3.92 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 72 R 7.94 4.40 0.00 1.77 1.89 0.00 3.28 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 73 R 7.43 4.07 0.00 1.79 1.84 0.00 3.20 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00