NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4667 8.1744 110.9358 61.5107 69.0993 171.9959 2 Q 4.3968 8.6929 129.4054 52.5480 32.0472 174.6578 3 S 4.6973 9.2888 122.8506 57.7755 62.5399 174.5635 4 H 4.2070 7.9188 116.9900 56.4540 27.8278 175.4503 5 A 4.1856 8.1551 129.1780 51.0678 15.8092 176.2155 6 G 4.1850 7.8644 116.1496 45.0439 0.0000 171.3247 7 Q 4.4364 7.6731 125.0165 54.3645 27.7433 174.5436 8 C 4.4446 8.5433 117.9905 57.5348 43.6640 175.8922 9 G 3.9347 8.1093 105.7154 43.8367 0.0000 174.4404 10 G 3.7282 9.6406 123.2444 46.1163 0.0000 172.7603 11 I 3.3850 7.2756 127.7820 63.2084 37.0895 176.7349 12 G 3.8772 8.1921 114.1296 45.0123 0.0000 172.3212 13 Y 4.1421 6.2398 118.0078 57.3762 37.9826 178.0729 14 S 4.4682 8.7927 124.9545 56.8313 62.2930 173.6111 15 G 3.9520 7.5298 108.2563 44.8282 0.0000 170.4148 16 P 4.2706 0.0000 0.0000 62.5420 31.2248 177.9587 17 T 3.9365 8.4280 119.8980 64.2299 68.4292 174.5536 18 V 3.9981 6.9344 122.2919 59.7941 32.0599 175.6682 19 C 4.7583 8.4694 128.0998 55.7106 44.9604 172.0281 20 A 4.2442 8.2143 117.9744 52.6314 20.3391 176.7147 21 S 4.5563 7.6494 105.4211 58.3107 67.6441 175.1624 22 G 4.1708 9.1381 108.7116 45.0447 0.0000 173.4383 23 T 4.3748 8.5075 114.6981 62.8524 69.1900 172.7323 24 T 4.6251 7.2194 108.9018 60.2360 72.9160 173.5289 25 C 5.1325 8.5461 123.4735 55.5271 39.9815 171.2409 26 Q 4.6117 9.2771 124.7716 54.2228 30.6416 175.1722 27 V 4.1509 8.4085 126.1720 61.8716 31.5013 174.9691 28 L 4.2904 8.1718 125.4173 54.7196 42.8383 176.1404 29 N 5.0622 7.6142 115.1933 50.6677 40.6368 174.2107 30 P 4.1551 0.0000 0.0000 66.5490 31.0262 177.4617 31 Y 3.7350 8.1123 113.8131 58.3569 38.2413 173.8170 32 Y 4.7135 8.6238 122.3813 55.9087 41.7090 173.4207 33 S 5.3085 8.6314 121.7841 56.4823 65.1026 172.3566 34 Q 5.0344 9.1581 127.9820 54.2845 32.4238 174.1371 35 C 4.9975 9.2265 125.9907 55.9813 39.9805 173.4015 36 L 4.4585 8.6890 123.5181 54.2004 41.8881 176.1271 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 T 8.17 4.47 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 1.22 0.00 0.00 2 Q 8.69 4.40 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 7.18 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 3 S 9.29 4.70 0.00 4.03 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 4 H 7.92 4.21 0.00 3.06 3.34 0.00 5.91 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.16 4.19 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 6 G 7.86 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 0.00 0.00 0.00 0.00 7 Q 7.67 4.44 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.82 0.00 0.00 0.00 0.00 0.00 2.26 2.00 0.00 8 C 8.54 4.44 0.00 3.03 3.29 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 9 G 8.11 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 0.00 0.00 0.00 10 G 9.64 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.28 3.38 1.36 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.59 0.68 0.00 0.00 12 G 8.19 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 0.00 0.00 0.00 13 Y 6.24 4.14 0.00 2.98 3.24 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 14 S 8.79 4.47 0.00 3.91 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 15 G 7.53 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 0.00 0.00 0.00 16 P 0.00 4.27 0.00 2.20 1.98 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 17 T 8.43 3.94 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 0.74 0.00 0.00 18 V 6.93 4.00 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 0.69 0.00 0.00 0.86 0.00 0.00 19 C 8.47 4.76 0.00 2.87 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 20 A 8.21 4.24 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 21 S 7.65 4.56 0.00 3.78 3.74 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 0.00 0.00 0.00 22 G 9.14 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.51 4.37 4.24 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 1.23 0.00 0.00 24 T 7.22 4.63 4.24 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 1.21 0.00 0.00 25 C 8.55 5.13 0.00 2.95 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.28 4.61 0.00 2.18 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 27 V 8.41 4.15 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 0.75 0.00 0.00 1.00 0.00 0.00 28 L 8.17 4.29 0.00 1.82 1.58 1.02 0.81 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 29 N 7.61 5.06 0.00 2.85 2.83 0.00 0.00 6.58 8.04 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 30 P 0.00 4.16 0.00 1.97 2.29 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.11 0.00 31 Y 8.11 3.74 0.00 3.21 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 32 Y 8.62 4.71 0.00 3.02 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 33 S 8.63 5.31 0.00 3.95 3.78 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 34 Q 9.16 5.03 0.00 2.40 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.58 0.00 35 C 9.23 5.00 0.00 3.06 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 36 L 8.69 4.46 0.00 1.69 1.50 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00