NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 M 4.2641 8.3049 120.3486 56.1150 33.5887 175.6113 4 S 3.3354 8.3623 115.3038 59.7616 60.4750 172.5977 5 A 3.5688 7.7544 122.8186 51.2463 16.3298 174.7445 6 K 3.8875 8.2912 113.3498 56.3224 35.0541 171.8260 7 E 3.6156 9.2792 131.2491 56.3171 26.4326 172.9739 8 L 4.5878 7.6247 123.5568 55.2516 45.0832 176.8264 9 R 4.5590 8.4217 116.2716 56.8194 32.2090 174.2737 10 C 4.5570 8.1650 116.3961 56.1229 44.2114 173.4048 11 Q 3.9696 8.5968 124.6681 56.8125 29.0202 176.4790 12 C 4.7482 7.8652 117.9186 54.4289 43.2616 173.2172 13 V 4.2063 7.8733 124.4040 60.5885 34.1246 180.8291 14 K 3.7442 8.3427 122.1322 57.5281 30.9310 179.1555 15 T 4.4522 8.5090 119.2503 64.1163 72.9077 174.0092 16 T 4.3457 8.1390 124.7348 62.9546 67.1317 175.9451 17 S 4.4647 7.6590 114.8079 59.0716 63.2204 174.8588 18 Q 3.9940 7.4851 119.3857 59.4110 28.8948 176.9804 19 V 4.0733 7.1771 115.8750 61.8249 32.5304 175.0944 20 R 4.5948 8.1218 120.7547 53.6588 31.4490 174.0608 21 P 4.3987 0.0000 0.0000 62.3351 32.7807 175.2553 22 R 3.8414 8.3091 115.4913 56.1878 28.9612 174.6258 23 H 4.1589 8.1847 110.3360 56.2698 27.5283 174.5844 24 I 4.1759 7.2374 122.2671 61.6148 39.3584 174.2637 25 T 4.5293 8.1793 113.2188 63.2947 69.5711 173.8277 26 S 4.8409 7.7715 113.9530 57.8955 67.3087 174.2425 27 L 5.0249 8.3155 120.8691 54.5425 43.3542 175.2468 28 E 4.4538 8.8696 120.6226 55.7752 31.6907 175.8270 29 V 4.3605 8.2323 121.4325 61.2629 33.2725 173.6903 30 I 4.4344 8.3861 127.9473 59.2629 39.5712 176.1304 31 K 4.5738 8.3818 127.2586 55.6303 34.3456 176.4350 32 A 4.9898 7.9580 122.1282 51.1441 16.8252 179.1778 33 G 3.8057 8.0976 117.4479 45.4487 0.0000 169.8106 34 P 4.4143 0.0000 0.0000 65.3235 32.4621 178.1768 35 H 4.2935 7.9652 115.5261 56.7690 28.9825 174.9485 36 C 5.1828 7.2867 119.4600 53.6076 43.1420 172.0394 37 P 4.2544 0.0000 0.0000 63.7576 31.6440 177.2279 38 T 4.4825 7.4799 113.1255 60.4751 68.9988 173.8903 39 A 4.1730 8.4157 127.3001 51.9856 19.3137 176.6918 40 Q 4.5388 8.8005 123.2338 54.0484 32.2827 173.8572 41 L 5.0303 8.4266 127.1774 53.4046 45.6474 175.1791 42 I 4.8445 8.3314 125.3559 59.7720 41.2505 173.7636 43 A 4.9915 8.4718 123.6880 51.4240 23.5513 174.9191 44 T 5.6789 8.7254 113.2011 62.2228 73.2085 174.6847 45 L 5.1739 8.1805 125.3400 53.0743 44.5673 176.0477 46 K 4.0571 7.9818 116.9891 60.0471 32.1535 177.5563 47 N 4.6062 8.2128 118.1762 51.9492 37.2165 171.6110 48 G 4.5275 7.8843 114.6817 44.9878 0.0000 170.2999 49 R 4.7349 8.9726 121.9263 54.7542 33.2618 175.3423 50 K 5.5588 8.5944 116.0033 54.6714 36.6034 175.8977 51 I 4.6840 7.8006 119.8268 60.6222 40.8675 173.4827 52 C 5.1572 8.1310 111.1985 54.9965 44.2121 173.5082 53 L 5.1745 8.3245 120.9725 53.5641 45.3598 173.9958 54 D 4.8257 8.4756 118.9257 53.0354 43.4497 175.0334 55 L 3.3626 8.0770 118.1595 54.4461 43.9824 176.3053 56 Q 4.6511 7.8416 118.9086 55.3537 29.2368 174.4527 57 A 4.8120 7.7938 117.7302 49.0074 22.2189 175.6648 58 P 4.3700 0.0000 0.0000 63.6291 31.6589 178.3683 59 L 3.8184 7.5633 121.5506 58.7289 42.2574 178.2938 60 Y 4.2681 8.1785 116.7938 59.5376 38.1242 177.7353 61 K 3.3393 6.8842 120.1616 58.6625 31.9763 179.1304 62 K 4.0328 7.7786 119.0172 58.9227 31.9304 179.3040 63 I 3.6933 7.4060 120.0361 64.4091 37.2607 178.0831 64 I 3.7050 7.7839 120.4156 64.5625 36.9793 178.7854 65 K 3.9967 8.0471 119.1452 59.2644 31.6115 179.4429 66 K 4.8330 7.7111 119.0613 58.1624 32.0450 178.6305 67 L 4.3041 7.5301 118.1166 56.3286 41.7811 178.5196 68 L 4.2094 7.7943 119.6792 57.2317 41.7748 178.5902 69 E 3.8995 8.0736 117.7134 59.2787 28.8566 177.2836 70 S 4.2892 7.6027 117.5668 58.2811 62.4623 173.2961 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 3 M 8.30 4.26 0.00 1.99 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 2.48 2.57 0.00 4 S 8.36 3.34 0.00 4.12 3.88 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 0.00 0.00 0.00 5 A 7.75 3.57 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 6 K 8.29 3.89 0.00 1.74 1.66 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.30 7.81 7 E 9.28 3.62 0.00 2.16 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 0.00 2.21 2.27 0.00 8 L 7.62 4.59 0.00 1.56 1.54 0.95 0.92 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 9 R 8.42 4.56 0.00 1.78 1.74 0.00 3.29 0.00 0.00 3.13 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 10 C 8.17 4.56 0.00 3.01 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 11 Q 8.60 3.97 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 12 C 7.87 4.75 0.00 2.89 2.97 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 13 V 7.87 4.21 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 0.88 0.00 0.00 0.93 0.00 0.00 14 K 8.34 3.74 0.00 1.91 1.04 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.44 7.81 15 T 8.51 4.45 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 1.25 0.00 0.00 16 T 8.14 4.35 4.52 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 1.22 0.00 0.00 17 S 7.66 4.46 0.00 3.88 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 18 Q 7.49 3.99 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 19 V 7.18 4.07 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 0.82 0.00 0.00 0.94 0.00 0.00 20 R 8.12 4.59 0.00 1.97 1.92 0.00 3.27 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 21 P 0.00 4.40 0.00 2.18 2.12 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 22 R 8.31 3.84 0.00 1.77 1.74 0.00 3.17 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.46 0.00 23 H 8.18 4.16 0.00 3.41 3.70 0.00 5.50 0.00 0.00 0.00 0.00 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.24 4.18 2.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.88 0.92 0.00 0.00 25 T 8.18 4.53 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 1.31 0.00 0.00 26 S 7.77 4.84 0.00 3.77 3.68 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 27 L 8.32 5.02 0.00 1.72 1.61 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.87 4.45 0.00 1.96 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 2.29 2.25 0.00 29 V 8.23 4.36 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 0.86 0.00 0.00 0.94 0.00 0.00 30 I 8.39 4.43 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.87 0.90 0.00 0.00 31 K 8.38 4.57 0.00 1.75 1.72 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.43 7.81 32 A 7.96 4.99 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 33 G 8.10 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 34 P 0.00 4.41 0.00 2.22 2.20 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 35 H 7.97 4.29 0.00 3.39 3.63 0.00 5.39 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 C 7.29 5.18 0.00 2.98 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 37 P 0.00 4.25 0.00 2.20 2.15 0.00 3.40 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 38 T 7.48 4.48 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 1.20 0.00 0.00 39 A 8.42 4.17 1.18 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 0.00 0.00 0.00 40 Q 8.80 4.54 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 41 L 8.43 5.03 0.00 1.61 1.56 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.33 4.84 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.06 1.01 0.00 0.00 43 A 8.47 4.99 1.23 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 0.00 0.00 0.00 44 T 8.73 5.68 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 1.29 0.00 0.00 45 L 8.18 5.17 0.00 1.62 1.63 1.05 0.95 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 46 K 7.98 4.06 0.00 1.80 1.87 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.59 7.81 47 N 8.21 4.61 0.00 2.78 2.77 0.00 0.00 6.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.88 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.97 4.73 0.00 1.94 2.03 0.00 2.82 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 50 K 8.59 5.56 0.00 1.69 1.74 0.00 1.66 0.00 0.00 2.42 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.31 1.50 7.81 51 I 7.80 4.68 1.88 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 1.42 0.58 0.92 0.00 0.00 52 C 8.13 5.16 0.00 3.16 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 53 L 8.32 5.17 0.00 1.47 1.67 0.99 1.09 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 54 D 8.48 4.83 0.00 2.59 2.53 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 0.00 0.00 0.00 0.00 55 L 8.08 3.36 0.00 1.34 1.44 0.65 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 56 Q 7.84 4.65 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 57 A 7.79 4.81 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 58 P 0.00 4.37 0.00 2.26 2.28 0.00 3.74 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 2.08 2.02 0.00 59 L 7.56 3.82 0.00 1.86 1.79 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.18 4.27 0.00 3.28 3.21 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 0.00 0.00 0.00 61 K 6.88 3.34 0.00 1.48 1.64 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.74 1.16 7.81 62 K 7.78 4.03 0.00 1.99 1.81 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.42 7.81 63 I 7.41 3.69 2.14 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 1.66 0.73 0.95 0.00 0.00 64 I 7.78 3.71 1.73 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.76 0.90 0.00 0.00 65 K 8.05 4.00 0.00 1.91 1.81 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.52 7.81 66 K 7.71 4.83 0.00 2.02 1.85 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.30 7.81 67 L 7.53 4.30 0.00 1.78 1.72 0.96 1.01 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 68 L 7.79 4.21 0.00 1.82 1.69 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.07 3.90 0.00 2.20 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 0.00 2.43 2.34 0.00 70 S 7.60 4.29 0.00 3.85 3.77 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