NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6232 8.1633 120.2855 54.7681 34.2002 175.0723 2 I 4.5206 7.4108 116.7147 57.6298 41.0979 169.7959 3 V 2.8149 8.6044 122.0470 62.5632 32.0593 173.8447 4 P 4.3003 0.0000 0.0000 62.6116 32.0850 176.5826 5 V 3.7903 8.5465 121.9014 65.7823 32.2810 175.6953 6 R 5.0913 7.5829 115.5438 53.8612 34.7508 174.6059 7 C 3.9006 8.6492 121.3107 59.5528 31.7358 174.0000 8 F 4.4889 8.5779 126.1171 61.2952 38.8821 177.4488 9 S 4.3296 8.3659 114.7658 61.3627 62.8422 174.9307 10 C 4.4364 7.9114 111.9693 57.7155 30.7853 174.3990 11 G 4.0272 8.5799 107.8756 44.9050 0.0000 173.8118 12 K 3.7287 8.0485 120.0312 56.5523 32.6031 175.2906 13 V 4.1133 8.2114 125.3505 62.7604 32.3194 175.6989 14 V 4.3301 8.8926 125.0167 62.5451 33.0453 176.8611 15 G 3.8886 8.1530 105.9629 46.6417 0.0000 173.2597 16 D 5.0098 7.9537 117.7623 52.8525 39.8814 176.3732 17 K 4.6544 8.0940 115.5427 55.7489 34.2548 178.0705 18 W 4.3935 8.4325 130.5773 60.7803 30.6600 177.8426 19 E 3.8159 8.2454 118.1030 59.2868 29.0023 179.2610 20 S 4.0529 8.0099 114.7312 61.7845 62.7735 175.8047 21 Y 4.0576 7.6316 120.6840 60.7004 38.7522 177.6695 22 L 3.5594 7.3900 120.9904 57.9498 41.8370 178.8134 23 N 4.1663 8.0647 116.4077 56.4183 38.5856 177.2405 24 L 3.8481 8.2228 120.5782 57.7237 41.4567 179.6563 25 L 3.8931 7.1127 118.4814 58.0769 41.9498 178.1365 26 Q 4.0418 8.0834 120.4369 58.5610 28.5707 177.3514 27 E 4.0595 8.0755 124.6926 58.5312 30.2362 177.5206 28 D 4.7762 7.8262 115.7302 53.0720 42.2519 175.4113 29 E 4.0523 7.6237 116.5072 55.8534 27.7410 175.0801 30 L 4.3896 7.3665 116.9172 54.0082 43.2265 176.6724 31 D 4.8506 8.0733 119.3650 52.0955 42.4849 177.0008 32 E 4.1713 8.8322 120.8812 59.8785 29.5064 180.1439 33 G 3.6041 8.0523 104.8221 48.3275 0.0000 175.8393 34 T 3.9524 7.9571 118.8132 65.8365 68.2434 176.7975 35 A 4.0052 8.6898 123.1122 55.2702 18.3609 179.6307 36 L 4.0225 8.4763 117.9151 58.2561 41.7384 180.0983 37 S 4.1925 8.2562 114.9764 61.5441 62.5052 176.8690 38 R 4.0980 7.7939 119.4095 58.4025 29.8890 177.9215 39 L 4.4052 7.3953 117.0048 54.5804 41.9399 177.7172 40 G 3.9743 7.9111 107.9909 45.3013 0.0000 175.3205 41 L 4.3220 7.2204 120.3913 54.3776 39.4674 176.5564 42 K 4.1742 8.1713 121.8713 58.6250 33.9039 179.2509 43 R 4.3003 7.6166 116.6730 54.8919 31.8930 176.7578 44 Y 4.2895 8.4733 120.6021 60.4509 37.4315 178.7100 45 C 4.1892 7.5305 115.2341 61.6647 29.6910 175.2947 46 C 4.2399 7.9208 118.7622 62.0408 27.7961 176.1307 47 R 3.9541 7.9973 120.1448 59.2758 29.8123 179.2127 48 R 3.9461 8.2270 115.9030 59.3111 28.9650 178.3581 49 M 3.8256 7.3469 116.9304 58.6937 32.2945 178.0335 50 I 3.9169 7.4650 119.0248 64.1980 37.3920 178.0087 51 L 4.0324 7.8248 119.4164 57.4844 41.9304 177.9477 52 T 4.4817 7.4928 112.8653 62.7843 69.9868 174.2498 53 H 4.1342 7.3251 120.8353 56.0287 30.4016 174.7184 54 V 4.1214 7.3281 123.3563 60.6134 33.6747 176.5684 55 D 4.6769 8.2478 130.2538 53.4125 37.7250 176.4033 56 L 3.7738 7.3427 121.7671 56.5617 42.1158 178.6845 57 I 3.6175 7.2522 119.4843 63.8206 37.7413 177.0990 58 E 4.1219 7.6964 117.7355 58.0032 29.3683 178.0344 59 K 4.3762 7.5728 118.1564 57.0683 33.6695 178.4647 60 F 4.9056 7.6150 117.9602 60.6809 38.8513 177.3121 61 L 4.1498 8.3053 117.3766 57.2507 41.5323 178.2475 62 R 4.1733 7.4216 116.2062 56.9260 30.4083 176.0786 63 Y 4.4654 7.7964 116.6347 56.7144 38.9953 175.1430 64 N 4.4336 8.9899 123.2617 55.7035 39.5063 172.9711 65 P 4.5213 0.0000 0.0000 62.7330 31.6778 174.9670 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 8.16 4.62 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.24 2.89 0.00 2 I 7.41 4.52 1.83 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 1.28 0.75 0.80 0.00 0.00 3 V 8.60 2.81 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 0.69 0.00 0.00 0.43 0.00 0.00 4 P 0.00 4.30 0.00 1.73 1.80 0.00 3.46 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.02 0.00 5 V 8.55 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 1.02 0.00 0.00 0.92 0.00 0.00 6 R 7.58 5.09 0.00 1.67 1.94 0.00 3.34 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 1.59 0.00 7 C 8.65 3.90 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 F 8.58 4.49 0.00 3.10 3.02 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 0.00 0.00 0.00 9 S 8.37 4.33 0.00 3.87 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.91 4.44 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.58 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 12 K 8.05 3.73 0.00 1.72 1.70 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.39 7.81 13 V 8.21 4.11 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 0.88 0.00 0.00 0.92 0.00 0.00 14 V 8.89 4.33 1.98 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 0.84 0.00 0.00 0.86 0.00 0.00 15 G 8.15 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 16 D 7.95 5.01 0.00 2.77 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 17 K 8.09 4.65 0.00 1.86 1.83 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.37 1.35 7.81 18 W 8.43 4.39 0.00 3.35 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 19 E 8.25 3.82 0.00 2.07 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 2.51 2.52 0.00 20 S 8.01 4.05 0.00 3.89 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 21 Y 7.63 4.06 0.00 2.95 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 22 L 7.39 3.56 0.00 1.58 1.36 0.26 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.06 4.17 0.00 2.84 2.77 0.00 0.00 7.01 6.66 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 24 L 8.22 3.85 0.00 1.65 1.66 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.11 3.89 0.00 1.56 1.48 0.49 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.08 4.04 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 27 E 8.08 4.06 0.00 1.94 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 2.27 2.28 0.00 28 D 7.83 4.78 0.00 2.77 2.61 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 0.00 0.00 0.00 0.00 29 E 7.62 4.05 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 30 L 7.37 4.39 0.00 1.75 1.57 0.89 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.07 4.85 0.00 2.86 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 4.17 0.00 2.16 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 0.00 2.53 2.50 0.00 33 G 8.05 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.96 3.95 4.30 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 1.22 0.00 0.00 35 A 8.69 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.48 4.02 0.00 1.91 1.75 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.26 4.19 0.00 3.90 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 38 R 7.79 4.10 0.00 2.00 2.01 0.00 3.15 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 39 L 7.40 4.41 0.00 1.77 1.72 1.08 0.97 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 40 G 7.91 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 0.00 0.00 0.00 41 L 7.22 4.32 0.00 1.70 1.63 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.17 4.17 0.00 1.86 1.93 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.39 7.81 43 R 7.62 4.30 0.00 1.77 1.93 0.00 2.85 0.00 0.00 3.30 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 44 Y 8.47 4.29 0.00 3.21 3.27 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 0.00 45 C 7.53 4.19 0.00 3.14 3.02 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 0.00 0.00 0.00 46 C 7.92 4.24 0.00 3.08 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 47 R 8.00 3.95 0.00 1.93 2.00 0.00 3.37 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.89 0.00 48 R 8.23 3.95 0.00 2.12 2.27 0.00 2.89 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 49 M 7.35 3.83 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 50 I 7.47 3.92 1.63 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.70 0.20 0.00 0.00 51 L 7.82 4.03 0.00 1.61 1.82 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.49 4.48 4.50 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 1.25 0.00 0.00 53 H 7.33 4.13 0.00 3.07 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.33 4.12 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 0.80 0.00 0.00 0.94 0.00 0.00 55 D 8.25 4.68 0.00 2.91 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 56 L 7.34 3.77 0.00 1.38 0.96 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.25 3.62 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.98 0.00 0.00 58 E 7.70 4.12 0.00 2.04 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 2.58 2.58 0.00 59 K 7.57 4.38 0.00 1.71 1.76 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.29 1.35 7.81 60 F 7.62 4.91 0.00 3.28 3.05 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 61 L 8.31 4.15 0.00 1.65 1.80 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.42 4.17 0.00 1.58 1.79 0.00 3.10 0.00 0.00 3.13 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 63 Y 7.80 4.47 0.00 3.11 2.89 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 0.00 0.00 0.00 64 N 8.99 4.43 0.00 2.71 2.89 0.00 0.00 6.98 7.69 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 65 P 0.00 4.52 0.00 2.22 2.02 0.00 3.94 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 1.93 1.96 0.00