NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7168 8.4249 118.2165 52.5357 39.2478 174.0898 3 Q 4.3126 7.6723 117.5913 55.7360 29.0125 175.3592 4 G 3.8918 8.8945 106.7708 46.6093 0.0000 174.6491 5 K 4.4129 7.6774 118.7357 55.9260 32.7282 177.8444 6 I 3.3552 7.6257 122.1074 63.8658 37.7439 177.1766 7 W 5.3635 7.9092 116.3175 56.7241 28.7926 176.7246 8 T 4.3863 8.0082 109.3776 62.3329 68.9654 175.8610 9 V 4.2466 7.6345 113.8438 61.3763 34.2519 175.7544 10 V 4.2663 7.8973 119.8223 60.9444 32.9463 174.1446 11 N 4.8577 8.7221 125.4318 52.5538 39.7444 174.0852 12 P 4.0454 0.0000 0.0000 65.5158 31.1239 178.1525 13 A 3.9609 8.2149 120.2065 54.5595 18.4504 178.8956 14 I 4.2010 7.6666 117.5301 63.7303 37.9877 178.4272 15 G 3.8857 8.4882 106.9125 47.6812 0.0000 176.0263 16 I 3.7068 7.7727 122.0627 63.8813 37.1037 176.6780 17 P 4.2104 0.0000 0.0000 65.5937 31.1209 178.5392 18 A 4.0553 8.1054 119.6720 54.7324 18.1895 179.4828 19 L 3.9336 8.2601 119.1321 58.4902 42.2966 179.2371 20 L 4.1110 8.2913 119.2904 57.6551 41.4541 179.8329 21 G 3.6095 8.5043 106.0898 47.9740 0.0000 175.9473 22 S 4.1547 8.2409 117.9373 61.2704 62.8226 177.0319 23 V 3.6349 8.0547 121.0550 66.2814 31.2078 178.2393 24 T 3.8960 7.9583 115.5910 66.6178 68.1928 176.8529 25 V 3.6086 8.1885 120.5401 65.8879 31.4817 178.1763 26 I 3.6871 7.9917 119.3704 64.3082 36.9241 177.9698 27 A 4.0856 8.1180 121.5975 55.4843 18.1197 179.6462 28 I 3.6879 7.9902 118.1085 64.5787 37.1872 178.6629 29 L 4.0027 8.2684 119.9922 57.8108 41.4378 179.7639 30 V 3.5965 8.2311 118.4931 66.3600 31.4189 177.5714 31 H 4.3065 8.6157 116.1180 59.1886 28.6036 177.7893 32 L 3.9881 8.3683 120.5065 57.5341 41.2007 179.3097 33 A 4.0239 8.4503 120.1422 55.4847 18.8077 179.5342 34 I 3.7736 8.0224 118.3610 64.2952 36.9179 178.3459 35 L 3.4913 8.0088 120.5920 58.0638 41.8461 178.8096 36 S 4.2951 7.7421 113.4875 59.9464 62.9464 174.6231 37 H 4.8076 7.5376 116.5181 55.1954 29.3430 173.3189 38 T 4.5945 7.2972 108.6166 59.9448 71.7144 173.7379 39 T 4.2026 8.1592 111.6972 62.9437 69.9485 176.9443 40 W 4.4175 7.6568 120.0092 58.9287 28.2752 178.2643 41 F 4.2687 7.2867 121.4657 60.8662 38.8007 175.3165 42 P 3.9576 0.0000 0.0000 65.5468 31.1506 178.4600 43 A 4.2904 8.1369 119.4685 54.8671 18.0116 179.0231 44 Y 4.3500 8.2033 117.9637 61.0488 39.0081 178.2320 45 W 4.3640 7.7699 118.6180 59.6271 29.1814 177.9694 46 Q 4.1420 8.7202 119.4814 58.9547 29.3427 177.9452 47 G 3.6653 9.2214 109.2094 47.8448 0.0000 175.3050 48 G 4.0903 9.0163 108.2360 45.9811 0.0000 174.5963 49 V 4.0854 7.1951 119.5829 60.3132 31.1380 176.6530 50 K 4.0871 8.5304 129.5061 58.1769 31.5590 179.5493 51 K 4.6038 8.8463 121.8531 56.2359 34.2336 175.1068 52 A 4.7487 7.6662 120.6795 50.2677 22.3268 176.6929 53 A 4.3075 8.4247 121.5272 52.3190 19.2251 177.4442 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 2 N 8.42 4.72 0.00 2.83 2.99 0.00 0.00 6.00 6.50 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 3 Q 7.67 4.31 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 4 G 8.89 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 5 K 7.68 4.41 0.00 1.79 1.80 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.41 7.81 6 I 7.63 3.36 1.54 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.71 -0.51 0.00 0.00 7 W 7.91 5.36 0.00 3.30 3.10 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 0.00 8 T 8.01 4.39 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 1.28 0.00 0.00 9 V 7.63 4.25 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 0.72 0.00 0.00 0.96 0.00 0.00 10 V 7.90 4.27 2.15 0.00 0.00 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 0.00 0.00 0.87 0.00 0.00 11 N 8.72 4.86 0.00 2.86 2.75 0.00 0.00 6.96 7.71 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 12 P 0.00 4.05 0.00 1.83 1.50 0.00 3.80 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 13 A 8.21 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 I 7.67 4.20 2.03 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 1.59 1.02 0.95 0.00 0.00 15 G 8.49 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 I 7.77 3.71 1.80 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 -0.08 0.81 0.00 0.00 17 P 0.00 4.21 0.00 2.16 2.10 0.00 3.62 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 2.26 2.13 0.00 18 A 8.11 4.06 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 19 L 8.26 3.93 0.00 1.99 2.01 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.29 4.11 0.00 1.73 1.71 0.91 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.50 3.61 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 0.00 0.00 0.00 22 S 8.24 4.15 0.00 4.09 3.95 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 23 V 8.05 3.63 2.29 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 1.06 0.00 0.00 1.00 0.00 0.00 24 T 7.96 3.90 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 1.23 0.00 0.00 25 V 8.19 3.61 2.22 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 1.14 0.00 0.00 0.99 0.00 0.00 26 I 7.99 3.69 2.06 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 1.48 0.65 0.94 0.00 0.00 27 A 8.12 4.09 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 28 I 7.99 3.69 2.07 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 1.54 0.70 0.95 0.00 0.00 29 L 8.27 4.00 0.00 1.86 1.75 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.23 3.60 2.14 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 1.12 0.00 0.00 0.99 0.00 0.00 31 H 8.62 4.31 0.00 3.59 3.61 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 8.37 3.99 0.00 1.84 1.74 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.45 4.02 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 34 I 8.02 3.77 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.19 0.60 0.00 0.00 35 L 8.01 3.49 0.00 0.97 1.71 -0.65 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.74 4.30 0.00 4.04 3.70 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 37 H 7.54 4.81 0.00 3.19 3.23 0.00 5.60 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.30 4.59 3.18 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 0.84 0.00 0.00 39 T 8.16 4.20 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 1.21 0.00 0.00 40 W 7.66 4.42 0.00 3.55 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.29 4.27 0.00 1.88 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.96 0.00 2.12 1.99 0.00 3.52 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.93 0.00 43 A 8.14 4.29 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 44 Y 8.20 4.35 0.00 3.14 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.77 4.36 0.00 3.45 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 46 Q 8.72 4.14 0.00 2.14 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.91 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 47 G 9.22 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.02 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 0.00 0.00 0.00 49 V 7.20 4.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 50 K 8.53 4.09 0.00 1.78 1.64 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.67 1.42 7.81 51 K 8.85 4.60 0.00 1.70 1.72 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.39 7.81 52 A 7.67 4.75 1.21 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 0.00 0.00 53 A 8.42 4.31 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