NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2816 8.1233 122.4540 51.5974 20.7478 175.9036 2 D 4.5833 8.5832 121.3722 54.0980 40.3570 175.4854 3 C 4.4740 9.3648 124.8079 58.7999 41.9681 174.1704 4 A 4.3425 7.2315 116.0664 51.1834 21.8034 175.5124 5 K 5.0699 9.6906 123.2100 53.6702 34.9400 175.7580 6 G 4.0850 7.8265 109.2414 43.6584 0.0000 172.5272 7 K 4.8304 7.7569 119.0073 54.0967 33.6205 176.6665 8 I 4.2160 8.0518 121.6789 61.1180 37.2198 176.1314 9 E 4.4419 8.8530 126.7169 58.9674 30.2781 176.7151 10 F 5.1515 7.5301 112.4700 56.1141 41.2248 173.1873 11 S 5.1730 8.8366 112.8662 56.8600 66.3003 173.3251 12 K 4.5208 8.5466 122.6297 55.0562 35.6530 174.2357 13 Y 4.6168 8.7838 129.1509 57.1307 39.4811 174.1353 14 N 4.7672 8.6809 125.2486 51.8262 40.1640 176.0353 15 E 3.9510 9.1007 123.5789 59.6856 29.6857 177.6767 16 D 4.5325 7.8817 114.3878 53.6368 39.1641 176.0608 17 D 4.3785 7.9988 117.2665 55.4503 38.7963 173.8183 18 T 4.8011 7.6687 110.1950 60.4038 71.8521 173.1434 19 F 5.1436 9.1758 123.9302 56.7508 42.5874 173.5423 20 T 5.3591 8.4394 122.6185 61.9558 71.3769 173.7020 21 V 4.8126 9.0634 118.4529 59.3056 36.1664 174.3755 22 K 4.6479 8.6602 124.2707 54.5807 34.5240 175.0417 23 V 4.6319 8.2487 126.9787 61.6950 34.9061 174.8510 24 D 4.2380 10.1099 127.1375 55.1711 39.5850 174.1251 25 G 3.9952 8.7995 105.1266 44.4918 0.0000 174.0190 26 K 4.5390 7.8886 118.7649 54.3836 36.0519 174.7998 27 E 4.9678 8.2225 122.4813 54.9384 32.0113 174.7497 28 Y 5.4095 8.7766 121.0250 56.0638 42.3239 174.4417 29 W 5.6511 8.9211 120.7470 55.3962 31.2479 174.9194 30 T 4.7325 9.3745 116.0705 60.3566 70.1219 174.3386 31 S 4.8475 8.6398 118.7909 58.1402 64.0988 175.3627 32 R 4.1412 7.6019 122.1408 55.3433 27.9280 176.6046 33 W 4.4313 8.8249 121.4323 59.3103 28.0389 178.2737 34 N 4.1886 6.8390 113.7267 53.8642 37.2573 176.3943 35 L 4.1234 7.9414 120.1547 57.2295 41.6609 178.5072 36 Q 2.9866 7.5598 118.8619 58.4681 28.7616 177.4180 37 P 4.2949 0.0000 0.0000 65.4943 31.4779 178.4726 38 L 3.8811 7.6914 118.8672 57.5608 41.6515 179.0741 39 L 4.2336 8.2447 119.2464 57.7452 41.6806 178.9650 40 L 4.0994 7.9557 120.2917 58.7207 42.0837 179.1463 41 S 4.1516 7.9864 113.9975 61.7496 62.6619 176.7491 42 A 4.1337 7.9614 123.0108 54.9778 18.0541 179.4132 43 Q 3.9384 8.2826 118.1413 59.5822 29.0575 178.3720 44 L 3.9623 7.8359 118.8186 57.4625 41.8427 178.4081 45 T 4.4579 7.4325 105.2618 60.2524 68.8619 174.1474 46 G 4.0826 8.1444 109.0627 46.9937 0.0000 174.1025 47 M 4.3272 8.0832 118.2110 55.2842 33.5632 176.4121 48 T 4.3926 8.3031 118.7629 63.3559 69.8932 174.2565 49 V 4.8152 8.9732 119.7464 59.7601 35.6164 174.6739 50 T 4.6484 8.5784 120.4241 61.8924 70.8835 173.5689 51 I 4.0750 8.0896 127.9753 60.2805 38.5496 175.1432 52 K 4.9693 8.4547 125.4508 54.7939 35.5289 175.2335 53 S 4.7219 8.4510 117.2740 57.4692 65.2922 175.1886 54 S 4.2933 8.8138 120.0419 60.9030 62.9186 174.9305 55 T 4.7229 7.4959 108.6416 60.2033 71.2973 174.1390 56 C 4.9712 8.6891 118.7607 56.3959 40.6062 173.7370 57 E 4.3308 8.3710 122.0632 55.6599 30.0697 174.9488 58 S 3.6454 8.0102 119.4152 58.0192 63.8767 174.2805 59 G 4.0324 8.9747 115.5054 45.6536 0.0000 173.3074 60 S 4.9155 7.4584 113.4875 56.8678 65.3378 173.9447 61 G 2.7189 8.1138 108.7852 45.5970 0.0000 172.8915 62 F 4.9921 7.8393 115.1000 55.5580 41.0329 174.8345 63 A 4.2844 8.4353 118.7701 52.5710 21.6646 175.2947 64 E 4.8768 8.0201 119.1716 54.6189 32.4121 175.4874 65 V 4.6711 8.1359 125.5821 60.5279 34.3887 173.4878 66 Q 4.3395 9.0054 127.5040 54.6131 30.9842 174.1521 67 F 5.1028 8.7204 124.3565 56.1096 40.4290 174.5157 68 N 5.1111 9.2551 121.9618 51.5652 41.6602 173.7356 69 N 5.3128 8.1746 118.5080 51.6987 40.9857 174.5760 70 D 4.1750 8.5375 122.3822 54.1687 38.8547 175.7315 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 A 8.12 4.28 1.22 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 0.00 0.00 0.00 2 D 8.58 4.58 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.36 4.47 0.00 2.18 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.23 4.34 1.22 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 0.00 0.00 0.00 5 K 9.69 5.07 0.00 1.65 1.64 0.00 1.56 0.00 0.00 0.61 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.29 7.81 6 G 7.83 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 7 K 7.76 4.83 0.00 1.77 1.77 0.00 1.93 0.00 0.00 2.38 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.36 7.81 8 I 8.05 4.22 1.94 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.48 1.00 0.00 0.00 9 E 8.85 4.44 0.00 1.92 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 2.36 2.25 0.00 10 F 7.53 5.15 0.00 3.06 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 11 S 8.84 5.17 0.00 3.71 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 12 K 8.55 4.52 0.00 1.96 1.70 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.51 1.40 7.81 13 Y 8.78 4.62 0.00 3.34 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 14 N 8.68 4.77 0.00 2.75 2.61 0.00 0.00 6.19 8.05 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 15 E 9.10 3.95 0.00 1.95 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 2.32 2.28 0.00 16 D 7.88 4.53 0.00 2.72 2.65 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 0.00 0.00 0.00 0.00 17 D 8.00 4.38 0.00 2.87 2.86 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 18 T 7.67 4.80 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 1.13 0.00 0.00 19 F 9.18 5.14 0.00 3.24 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 20 T 8.44 5.36 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 1.30 0.00 0.00 21 V 9.06 4.81 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 0.93 0.00 0.00 1.07 0.00 0.00 22 K 8.66 4.65 0.00 0.79 0.97 0.00 1.55 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.15 1.26 7.81 23 V 8.25 4.63 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 0.83 0.00 0.00 0.86 0.00 0.00 24 D 10.11 4.24 0.00 3.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.80 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 26 K 7.89 4.54 0.00 1.59 1.19 0.00 1.63 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.33 7.81 27 E 8.22 4.97 0.00 1.79 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 28 Y 8.78 5.41 0.00 2.64 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 29 W 8.92 5.65 0.00 3.63 3.28 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 30 T 9.37 4.73 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 1.29 0.00 0.00 31 S 8.64 4.85 0.00 4.14 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 0.00 32 R 7.60 4.14 0.00 1.66 1.91 0.00 3.25 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 33 W 8.82 4.43 0.00 3.70 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 34 N 6.84 4.19 0.00 2.43 1.97 0.00 0.00 6.07 7.79 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 35 L 7.94 4.12 0.00 1.81 1.76 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.56 2.99 0.00 1.89 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 1.92 2.40 0.00 37 P 0.00 4.29 0.00 2.22 2.30 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 38 L 7.69 3.88 0.00 1.87 1.53 0.83 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.24 4.23 0.00 1.92 2.00 1.29 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.96 4.10 0.00 1.90 1.74 1.15 0.86 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 41 S 7.99 4.15 0.00 4.14 3.87 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 4.13 1.64 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.28 3.94 0.00 2.37 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.66 0.00 44 L 7.84 3.96 0.00 1.87 1.78 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.43 4.46 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 1.29 0.00 0.00 46 G 8.14 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 47 M 8.08 4.33 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.84 0.00 48 T 8.30 4.39 4.25 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 1.19 0.00 0.00 49 V 8.97 4.82 1.82 0.00 0.00 0.00 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 0.83 0.00 0.00 50 T 8.58 4.65 4.10 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 1.13 0.00 0.00 51 I 8.09 4.07 1.23 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.35 -0.21 0.00 0.00 52 K 8.45 4.97 0.00 1.68 1.56 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.67 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.20 7.81 53 S 8.45 4.72 0.00 3.70 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 54 S 8.81 4.29 0.00 3.87 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.50 4.72 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 1.22 0.00 0.00 56 C 8.69 4.97 0.00 2.95 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 57 E 8.37 4.33 0.00 1.99 1.84 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 2.39 2.25 0.00 58 S 8.01 3.65 0.00 3.77 3.65 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 0.00 0.00 0.00 0.00 59 G 8.97 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.46 4.92 0.00 4.11 3.83 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 0.00 0.00 0.00 61 G 8.11 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 0.00 0.00 0.00 62 F 7.84 4.99 0.00 2.95 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.28 1.11 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 0.00 0.00 64 E 8.02 4.88 0.00 2.02 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 2.13 2.18 0.00 65 V 8.14 4.67 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 0.69 0.00 0.00 0.37 0.00 0.00 66 Q 9.01 4.34 0.00 2.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 67 F 8.72 5.10 0.00 2.97 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 68 N 9.26 5.11 0.00 2.69 2.72 0.00 0.00 6.42 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.17 5.31 0.00 2.59 2.73 0.00 0.00 6.82 8.06 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 70 D 8.54 4.17 0.00 2.72 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00