NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5817 8.3049 118.1925 54.9033 32.7977 175.4864 2 K 4.1965 8.7763 120.3904 54.7048 34.5575 176.0044 3 P 4.4077 0.0000 0.0000 66.1483 31.6356 178.6567 4 E 4.1269 8.2041 116.6131 58.9630 29.3187 179.0586 5 E 3.9682 8.1837 119.1444 59.2238 29.5400 178.8789 6 L 4.0594 7.9885 119.8516 58.3332 42.1944 179.0514 7 V 3.6811 7.9214 118.1127 65.9938 31.2441 177.8336 8 R 3.9164 8.1308 117.7507 59.6655 29.9570 177.6243 9 H 4.1222 8.3388 117.1638 59.2315 29.9848 176.7332 10 F 4.4608 7.7569 116.9222 57.7941 39.1777 175.8560 11 G 4.2871 8.7942 109.1107 46.1344 0.0000 173.6109 12 D 4.6795 7.7569 117.6075 50.7481 43.5668 176.2048 13 V 3.3869 8.1837 118.0474 65.9843 31.3785 177.2192 14 E 3.8616 8.1191 118.5117 59.3899 29.5179 178.8672 15 K 3.9555 8.9941 118.5978 59.1822 32.0549 179.3011 16 A 3.2040 8.1350 121.0010 54.7510 18.3289 179.4676 17 A 3.7468 8.1360 119.7113 55.2399 18.2710 180.0582 18 V 3.5357 7.6370 116.8307 66.1213 31.4047 178.5344 19 G 3.0826 7.5354 104.1581 46.7537 0.0000 175.0073 20 V 4.3241 7.3733 111.5921 59.9433 32.2838 175.7977 21 G 3.8214 7.7963 106.5667 46.9506 0.0000 173.7338 22 V 4.5139 7.5788 111.6121 58.3534 35.7218 176.2241 23 T 4.1704 7.8957 110.6999 60.9030 70.8798 173.6772 24 P 4.1831 0.0000 0.0000 65.7991 31.4199 179.1222 25 G 3.7128 8.1236 103.7666 47.7675 0.0000 175.3383 26 A 3.7064 7.8041 122.9323 54.7927 18.2921 179.8760 27 V 2.6266 6.8243 116.4579 66.0425 31.4180 177.8523 28 Y 4.0537 7.7201 116.3936 61.2338 37.7010 178.6866 29 Q 4.0664 8.1384 118.9134 58.4567 28.8659 178.7659 30 W 4.5706 8.1024 120.3486 59.7159 29.1456 178.3711 31 L 4.0916 8.2460 119.0039 58.1927 40.9237 179.7262 32 Q 4.0828 8.3098 116.4495 58.7928 28.7486 178.1985 33 A 4.3171 8.2794 119.9276 52.2065 18.6340 178.0437 34 G 3.9617 7.7870 104.7972 45.3034 0.0000 173.4084 35 E 4.8004 7.6483 113.3345 55.5970 32.2985 175.6879 36 I 3.5159 8.0915 122.1066 59.1158 38.5658 174.7174 37 P 4.2119 0.0000 0.0000 62.2981 33.0366 175.7748 38 P 4.1373 0.0000 0.0000 65.6548 31.0865 178.6015 39 L 3.8628 7.8975 118.6428 58.1447 41.9082 178.9696 40 R 3.8389 7.7447 117.8740 59.5854 30.0598 178.2459 41 Q 3.8924 8.0187 118.1011 59.0586 28.6827 179.0350 42 S 4.0802 7.9659 116.0957 61.7741 62.8293 176.3573 43 D 4.3552 7.8201 120.5231 57.3643 40.9446 178.3677 44 I 3.7878 7.8693 120.4159 64.2032 37.0077 177.9035 45 E 4.6627 8.3846 121.7467 58.8491 29.4946 179.1603 46 V 3.6172 7.9238 118.0869 66.1030 31.5291 177.7500 47 R 4.2829 8.2851 115.2765 57.4085 30.3248 177.6076 48 T 4.4342 7.8323 109.6446 60.2611 69.1238 174.2986 49 A 3.3092 8.5801 121.9112 53.9404 16.5633 178.4990 50 Y 4.0313 8.1488 114.5585 59.7202 36.2605 171.0154 51 K 4.0994 8.0629 122.7834 58.4185 32.7439 177.0525 52 L 4.6774 7.8365 118.7467 52.6974 43.3349 175.2949 53 K 4.8494 8.2962 122.0677 54.0712 34.4938 177.0332 54 S 4.4719 9.2667 119.2312 58.6531 64.7604 175.3801 55 D 4.3893 9.1318 124.5147 56.7705 40.6614 178.8703 56 F 3.9850 8.2792 120.7191 61.8654 39.3796 177.3030 57 T 4.0213 8.2021 115.4075 66.5397 67.7445 177.0167 58 S 4.0696 8.3750 116.6405 61.2417 62.6842 176.1769 59 Q 3.2820 7.7286 122.3222 59.1704 28.8316 178.2806 60 R 4.0233 7.0817 116.2325 57.5661 31.1324 178.0820 61 M 4.3922 7.9255 118.6855 54.9102 32.2155 176.8501 62 G 4.0383 7.5881 107.4800 43.4943 0.0000 173.8126 63 K 4.0691 8.8064 125.8236 58.9386 33.2758 176.8347 64 E 4.6381 7.4988 118.5483 56.1201 30.1716 177.7963 65 G 3.8138 8.6816 112.7960 46.3098 0.0000 172.7631 66 H 4.4460 8.1197 119.5167 55.9669 28.1449 175.7273 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 4.58 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 2 K 8.78 4.20 0.00 1.81 1.78 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.70 7.81 3 P 0.00 4.41 0.00 2.19 2.33 0.00 3.90 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 4 E 8.20 4.13 0.00 2.09 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 2.43 2.50 0.00 5 E 8.18 3.97 0.00 2.27 2.02 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 2.35 2.34 0.00 6 L 7.99 4.06 0.00 1.89 2.05 1.28 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.92 3.68 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 0.97 0.00 0.00 0.98 0.00 0.00 8 R 8.13 3.92 0.00 1.93 2.16 0.00 3.33 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 9 H 8.34 4.12 0.00 3.11 3.34 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 F 7.76 4.46 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 11 G 8.79 4.29 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 0.00 12 D 7.76 4.68 0.00 2.92 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 13 V 8.18 3.39 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 0.56 0.00 0.00 0.37 0.00 0.00 14 E 8.12 3.86 0.00 2.07 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 0.00 2.35 2.38 0.00 15 K 8.99 3.96 0.00 1.91 1.92 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.63 7.81 16 A 8.14 3.20 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 3.75 1.27 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 0.00 0.00 18 V 7.64 3.54 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 0.94 0.00 0.00 0.91 0.00 0.00 19 G 7.54 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 0.00 0.00 0.00 20 V 7.37 4.32 2.20 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 0.89 0.00 0.00 1.11 0.00 0.00 21 G 7.80 3.82 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 0.00 0.00 0.00 22 V 7.58 4.51 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 0.98 0.00 0.00 0.64 0.00 0.00 23 T 7.90 4.17 4.18 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 0.00 0.00 0.00 1.16 0.00 0.00 24 P 0.00 4.18 0.00 2.21 2.16 0.00 3.56 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 25 G 8.12 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.80 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 6.82 2.63 1.77 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 0.84 0.00 0.00 0.53 0.00 0.00 28 Y 7.72 4.05 0.00 3.16 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 29 Q 8.14 4.07 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 30 W 8.10 4.57 0.00 3.54 3.11 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 31 L 8.25 4.09 0.00 1.98 1.81 0.79 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.31 4.08 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.97 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 33 A 8.28 4.32 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.79 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 35 E 7.65 4.80 0.00 2.04 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 36 I 8.09 3.52 1.54 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.47 -0.12 0.00 0.00 37 P 0.00 4.21 0.00 2.01 1.92 0.00 2.59 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 38 P 0.00 4.14 0.00 2.11 2.08 0.00 3.56 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 39 L 7.90 3.86 0.00 1.71 1.63 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.74 3.84 0.00 1.84 1.78 0.00 3.56 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.33 0.00 41 Q 8.02 3.89 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.21 2.53 0.00 42 S 7.97 4.08 0.00 4.00 3.86 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 43 D 7.82 4.36 0.00 2.76 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 44 I 7.87 3.79 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.66 1.00 0.00 0.00 45 E 8.38 4.66 0.00 2.07 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 0.00 2.53 2.48 0.00 46 V 7.92 3.62 2.23 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 0.98 0.00 0.00 1.06 0.00 0.00 47 R 8.29 4.28 0.00 1.93 2.01 0.00 3.35 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 48 T 7.83 4.43 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 1.26 0.00 0.00 49 A 8.58 3.31 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 50 Y 8.15 4.03 0.00 3.17 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.10 0.00 1.70 1.85 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.49 1.40 7.81 52 L 7.84 4.68 0.00 1.73 1.52 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 53 K 8.30 4.85 0.00 1.71 1.71 0.00 1.78 0.00 0.00 1.90 0.00 0.00 3.18 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.33 7.81 54 S 9.27 4.47 0.00 4.03 4.05 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 55 D 9.13 4.39 0.00 2.72 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 56 F 8.28 3.99 0.00 3.12 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 57 T 8.20 4.02 4.40 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 1.22 0.00 0.00 58 S 8.38 4.07 0.00 3.97 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 59 Q 7.73 3.28 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 60 R 7.08 4.02 0.00 1.81 1.77 0.00 2.43 0.00 0.00 2.82 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.27 0.00 61 M 7.93 4.39 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 62 G 7.59 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.81 4.07 0.00 1.75 1.91 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.48 7.81 64 E 7.50 4.64 0.00 1.89 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 2.19 2.27 0.00 65 G 8.68 3.81 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 0.00 0.00 0.00 66 H 8.12 4.45 0.00 3.25 3.46 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00