NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8327 8.3544 109.7384 45.9576 0.0000 172.4228 2 S 3.3743 8.4310 110.7952 58.1294 60.5282 171.0821 3 S 4.4937 8.3011 115.4314 57.1528 63.4481 171.7298 4 G 4.1956 8.2419 120.0669 44.7140 0.0000 169.5328 5 S 4.4010 8.6877 111.0628 59.9479 63.6956 175.7955 6 S 4.1686 7.9366 120.7834 58.4577 62.1591 174.9660 7 G 3.8118 9.0119 115.0095 49.5110 0.0000 173.8318 8 T 3.7711 7.9102 116.2874 65.9207 68.5268 175.7924 9 G 3.9427 7.6923 108.1457 45.1703 0.0000 172.7715 10 V 4.2310 7.4558 113.5031 61.1015 33.0666 171.8756 11 K 4.6797 8.4299 121.1588 53.9613 36.0541 174.8261 12 P 4.1226 0.0000 0.0000 66.0052 31.5292 176.3673 13 Y 4.6362 7.2927 119.7705 57.2255 37.8952 173.7002 14 M 5.2809 8.4887 123.3171 53.6167 35.1527 174.4641 15 C 4.6903 9.4515 126.7558 59.2234 32.7627 173.5237 16 N 4.8064 8.7280 120.1639 53.7001 38.9916 175.9743 17 E 4.0508 8.5042 118.1078 58.9204 29.7180 176.9606 18 C 4.5473 8.0728 109.8314 60.3962 31.7371 174.7465 19 G 4.4688 8.1225 108.2332 45.8825 0.0000 173.5918 20 K 4.5314 8.2176 117.3849 54.2108 35.2909 177.0046 21 A 5.0301 8.2091 126.0851 51.0867 20.6023 175.9661 22 F 5.0488 9.1392 117.7143 56.1810 43.2098 175.1916 23 S 4.7680 9.1191 113.4660 58.5461 63.9790 174.7597 24 V 4.4975 7.4828 120.6223 60.7833 35.2295 175.0328 25 Y 2.6960 7.8056 125.5840 60.4399 38.8318 177.8789 26 S 3.6239 7.7623 113.4725 61.4755 62.3952 175.9996 27 S 3.9246 7.8053 117.1010 61.4562 62.5562 176.2776 28 L 2.9374 7.0711 122.9655 57.9441 41.5036 179.2257 29 T 4.0957 7.0204 110.5442 64.7861 68.5665 176.7429 30 T 3.5821 7.7761 117.7636 65.5455 68.6001 175.8955 31 H 4.2894 7.7100 120.5956 59.2109 29.9658 177.0294 32 Q 4.2013 7.8964 119.6658 58.9176 28.3789 179.4369 33 V 3.9321 7.4495 120.5852 65.1571 31.2107 177.4946 34 I 3.8190 7.9553 111.2574 62.9769 37.2896 176.6004 35 H 4.8425 8.1250 117.3647 56.7344 30.7944 176.1283 36 T 4.0810 7.7752 111.8511 63.9881 69.5004 174.1897 37 G 3.9663 7.9649 105.1130 45.6966 0.0000 172.1672 38 E 4.0474 8.2117 122.0304 59.1212 30.2586 178.9151 39 K 4.3619 7.6597 117.3723 54.1079 33.3545 174.5041 40 P 4.3449 0.0000 0.0000 62.9653 31.6405 175.7186 41 S 4.7490 8.4840 118.1626 56.7485 66.0234 172.0083 42 G 3.8126 7.7735 107.6382 46.5383 0.0000 171.6408 43 P 4.3598 0.0000 0.0000 61.8720 31.5641 176.3019 44 S 4.6619 8.2711 119.0194 56.3106 66.3163 174.2854 45 S 4.2154 9.1599 120.2930 60.7580 62.4977 174.0595 46 G 3.7818 7.7944 111.9369 46.3223 0.0000 172.8587 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 G 8.35 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.43 3.37 0.00 4.09 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 3 S 8.30 4.49 0.00 3.87 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 4 G 8.24 4.20 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 0.00 5 S 8.69 4.40 0.00 3.81 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 6 S 7.94 4.17 0.00 3.92 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 7 G 9.01 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 8 T 7.91 3.77 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 9 G 7.69 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 0.00 0.00 0.00 10 V 7.46 4.23 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 0.61 0.00 0.00 0.91 0.00 0.00 11 K 8.43 4.68 0.00 1.70 1.89 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.50 7.81 12 P 0.00 4.12 0.00 1.52 1.89 0.00 3.66 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.57 0.00 13 Y 7.29 4.64 0.00 3.16 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 14 M 8.49 5.28 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 15 C 9.45 4.69 0.00 3.36 3.22 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 0.00 0.00 0.00 0.00 16 N 8.73 4.81 0.00 2.86 2.93 0.00 0.00 6.10 7.66 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 17 E 8.50 4.05 0.00 1.59 1.40 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 2.23 2.28 0.00 18 C 8.07 4.55 0.00 3.11 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 19 G 8.12 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.22 4.53 0.00 1.70 1.16 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.38 7.81 21 A 8.21 5.03 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.14 5.05 0.00 2.92 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 23 S 9.12 4.77 0.00 4.06 4.06 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 24 V 7.48 4.50 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 1.00 0.00 0.00 0.98 0.00 0.00 25 Y 7.81 2.70 0.00 2.29 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.76 3.62 0.00 3.78 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 27 S 7.81 3.92 0.00 3.93 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 28 L 7.07 2.94 0.00 1.61 1.62 1.02 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.02 4.10 4.01 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 0.74 0.00 0.00 30 T 7.78 3.58 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 1.13 0.00 0.00 31 H 7.71 4.29 0.00 3.00 3.01 0.00 5.81 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 Q 7.90 4.20 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 33 V 7.45 3.93 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 1.34 0.00 0.00 0.90 0.00 0.00 34 I 7.96 3.82 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 -0.15 0.84 0.00 0.00 35 H 8.12 4.84 0.00 3.14 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.78 4.08 4.22 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 0.00 0.00 0.00 1.23 0.00 0.00 37 G 7.96 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 38 E 8.21 4.05 0.00 2.08 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 0.00 2.26 2.32 0.00 39 K 7.66 4.36 0.00 1.76 1.76 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.41 7.81 40 P 0.00 4.34 0.00 2.17 2.07 0.00 3.70 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 41 S 8.48 4.75 0.00 3.82 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.77 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 43 P 0.00 4.36 0.00 2.19 2.11 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 44 S 8.27 4.66 0.00 3.83 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 45 S 9.16 4.22 0.00 3.85 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 46 G 7.79 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 0.00 0.00 0.00