NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4727 8.1100 119.7449 55.2167 34.3439 174.9002 2 T 4.5794 7.3878 115.1763 58.3453 67.2716 171.4475 3 R 4.4379 8.7315 126.1902 56.9603 32.8355 176.2136 4 Q 4.1141 7.9475 116.7711 57.9175 28.6417 177.7942 5 E 3.9463 8.0755 120.8084 58.9330 29.6571 178.0102 6 E 3.9493 7.8525 118.5128 59.6143 29.5655 179.4951 7 L 4.0367 7.8688 118.6546 58.4800 40.5355 178.6226 8 A 3.5210 7.8531 120.8242 54.9596 18.4272 179.1467 9 A 4.0302 8.2575 119.5837 55.1837 18.3923 179.5310 10 A 3.8999 7.7026 119.0860 55.1827 18.2448 179.5592 11 R 3.6745 8.5788 117.8263 59.6494 30.1591 178.2460 12 A 4.0059 8.0141 120.1225 55.3985 18.2379 179.5510 13 A 3.9642 7.8199 118.4683 55.0899 18.5554 179.5388 14 L 3.9689 8.4676 117.9198 58.4604 41.5714 179.2187 15 H 4.0696 8.8646 117.6785 59.4362 29.9624 176.3751 16 D 4.4764 8.0562 119.4878 56.9386 40.8146 177.6040 17 L 4.0986 8.2833 121.0067 58.6089 42.0340 178.3779 18 M 4.1250 7.5992 116.4761 58.8826 32.0025 175.6894 19 T 4.6015 8.8861 112.8771 63.3903 72.7485 174.9094 20 G 3.7341 7.4080 110.3762 47.1843 0.0000 177.1090 21 K 4.2286 7.3544 121.8081 56.9277 32.7005 174.4048 22 R 4.7649 8.4687 116.3605 58.1482 37.7400 176.4006 23 V 4.9530 7.7545 117.6570 61.8830 34.2849 173.0433 24 A 4.8866 9.5006 130.2965 50.4622 21.8645 175.2464 25 T 4.9912 8.3970 116.0409 61.0256 69.6323 173.0542 26 V 4.6950 9.2932 121.6440 59.6749 36.6461 174.4493 27 Q 4.9289 8.6433 119.9638 54.3906 31.2011 175.4165 28 K 4.7234 8.2507 122.5594 54.7655 35.8421 175.5713 29 D 4.8870 8.4935 117.6919 51.8099 39.0635 177.1903 30 G 4.6996 7.0919 120.0322 47.3237 0.0000 172.0074 31 R 4.7629 7.1913 119.0520 53.7181 33.5800 173.1488 32 R 4.7773 8.4787 116.0409 54.2487 32.1854 175.4936 33 V 4.5754 8.4171 121.6523 61.3925 33.3715 173.9739 34 E 5.3284 9.0988 127.0559 54.7023 32.0529 175.3077 35 F 4.7424 10.3675 123.6971 56.1686 44.4043 174.2412 36 T 5.2821 8.5417 109.3010 60.1608 70.4433 174.0397 37 A 4.8925 7.9747 120.1421 53.3001 19.6332 178.4870 38 T 4.4660 8.1234 110.0597 63.7159 71.0469 175.4187 39 S 4.7840 8.0054 115.6728 57.8009 63.9882 175.9439 40 V 3.6003 7.6207 122.1906 64.8936 30.5322 178.6331 41 S 4.3509 8.0152 114.3366 61.6462 62.9778 175.8430 42 D 4.3287 8.1071 122.1268 56.3686 40.5592 177.8487 43 L 3.6332 8.5203 121.4158 57.9027 41.9390 178.6074 44 K 3.7800 8.8273 120.7538 59.4052 31.8354 178.5853 45 K 3.9280 7.7879 119.9115 59.5393 32.1658 178.0600 46 Y 4.2127 7.5935 119.6221 61.0007 38.4475 178.0773 47 I 3.1297 8.5800 119.8447 63.6132 37.9356 177.6297 48 A 3.9881 8.4573 122.5007 54.9310 17.9541 179.1375 49 E 3.8507 8.2605 117.2431 59.2799 30.0327 178.2527 50 L 4.0657 7.9229 120.3926 58.6859 41.9631 178.2790 51 E 3.8424 9.1033 118.9859 59.9909 29.2845 179.9253 52 V 3.0428 7.8712 118.6714 64.9160 31.5683 177.8049 53 Q 4.1868 8.4903 118.9379 56.9504 28.6640 176.0844 54 T 3.9641 8.0523 111.1368 62.2582 69.2084 173.0558 55 G 4.0557 8.7740 107.4157 46.0996 0.0000 175.0308 56 M 3.9793 7.4243 119.5715 57.9170 32.5081 176.5122 57 T 4.5711 7.1656 116.0483 63.7851 69.4385 174.3180 58 Q 4.3041 8.2409 126.1787 56.3722 29.8569 173.6235 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 8.11 4.47 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 2 T 7.39 4.58 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 1.21 0.00 0.00 3 R 8.73 4.44 0.00 1.94 1.87 0.00 3.28 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 4 Q 7.95 4.11 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 5 E 8.08 3.95 0.00 2.02 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 2.36 2.38 0.00 6 E 7.85 3.95 0.00 2.10 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 2.33 2.48 0.00 7 L 7.87 4.04 0.00 1.81 1.90 0.83 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 8 A 7.85 3.52 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.26 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 3.90 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 11 R 8.58 3.67 0.00 1.77 1.99 0.00 3.12 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 12 A 8.01 4.01 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 13 A 7.82 3.96 1.38 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 0.00 0.00 0.00 14 L 8.47 3.97 0.00 1.73 1.67 0.94 1.16 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 15 H 8.86 4.07 0.00 3.02 3.31 0.00 5.75 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.06 4.48 0.00 3.11 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 17 L 8.28 4.10 0.00 1.81 1.76 1.04 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.60 4.13 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.68 0.00 19 T 8.89 4.60 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 1.23 0.00 0.00 20 G 7.41 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 21 K 7.35 4.23 0.00 1.87 1.85 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.42 7.81 22 R 8.47 4.76 0.00 1.90 1.84 0.00 3.25 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 23 V 7.75 4.95 2.10 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 0.85 0.00 0.00 0.95 0.00 0.00 24 A 9.50 4.89 1.24 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 25 T 8.40 4.99 4.46 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 1.23 0.00 0.00 26 V 9.29 4.69 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 0.84 0.00 0.00 0.97 0.00 0.00 27 Q 8.64 4.93 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 28 K 8.25 4.72 0.00 2.11 1.76 0.00 1.58 0.00 0.00 1.78 0.00 0.00 3.33 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.39 7.81 29 D 8.49 4.89 0.00 2.78 2.73 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 30 G 7.09 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.19 4.76 0.00 1.89 1.88 0.00 3.20 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 32 R 8.48 4.78 0.00 1.85 1.90 0.00 3.17 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 33 V 8.42 4.58 2.12 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 0.69 0.00 0.00 0.93 0.00 0.00 34 E 9.10 5.33 0.00 1.83 1.83 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 2.26 2.34 0.00 35 F 10.37 4.74 0.00 2.81 2.95 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 36 T 8.54 5.28 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 1.20 0.00 0.00 37 A 7.97 4.89 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 38 T 8.12 4.47 4.26 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 1.22 0.00 0.00 39 S 8.01 4.78 0.00 4.39 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 40 V 7.62 3.60 2.28 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 0.93 0.00 0.00 0.96 0.00 0.00 41 S 8.02 4.35 0.00 4.07 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 42 D 8.11 4.33 0.00 2.81 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 43 L 8.52 3.63 0.00 1.00 1.31 0.46 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.83 3.78 0.00 2.01 1.77 0.00 1.59 0.00 0.00 1.50 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 45 K 7.79 3.93 0.00 1.86 2.03 0.00 1.60 0.00 0.00 1.58 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.52 7.81 46 Y 7.59 4.21 0.00 2.90 2.93 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 47 I 8.58 3.13 1.45 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.81 0.00 0.00 48 A 8.46 3.99 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 49 E 8.26 3.85 0.00 1.99 2.34 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 2.38 2.35 0.00 50 L 7.92 4.07 0.00 1.63 1.66 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.10 3.84 0.00 2.01 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 2.41 2.45 0.00 52 V 7.87 3.04 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 0.82 0.00 0.00 0.93 0.00 0.00 53 Q 8.49 4.19 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.55 0.00 54 T 8.05 3.96 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 1.27 0.00 0.00 55 G 8.77 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 56 M 7.42 3.98 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 57 T 7.17 4.57 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 1.21 0.00 0.00 58 Q 8.24 4.30 0.00 2.08 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00