NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.7541 8.2833 118.1258 53.4191 40.9046 176.3966 2 Q 3.9225 7.8732 116.8542 57.9917 28.7522 176.9165 3 K 4.0362 7.8626 119.8865 59.2096 32.4325 178.8753 4 Q 4.0409 8.0052 117.7101 59.1694 28.7182 178.4258 5 I 3.6804 7.6340 121.2636 64.1943 37.1592 178.3185 6 A 4.0945 8.3254 121.9258 55.1978 18.1988 179.2215 7 N 4.3484 8.3428 115.6604 56.8200 38.9598 177.1641 8 Q 4.0883 8.0658 119.5216 58.3374 28.7780 178.1726 9 F 4.0869 8.3307 121.8686 61.3793 39.5630 176.8883 10 N 4.1478 8.6475 116.4345 56.2476 38.4765 177.1213 11 K 3.7499 7.9414 119.4530 59.7331 32.1469 178.7841 12 A 3.9414 8.0836 120.5062 55.6147 18.2462 179.7485 13 I 3.4435 7.6911 118.2782 64.4406 37.1361 178.6517 14 S 4.5012 7.7178 115.2881 60.7583 62.1665 176.2223 15 Q 4.0193 7.8604 120.5182 58.6694 28.4882 178.4428 16 I 3.6592 8.0381 121.3057 64.4566 37.0213 178.2705 17 Q 3.9764 8.3977 119.2393 59.2946 28.5417 179.1391 18 E 4.0768 8.3376 120.4283 58.7458 29.3790 179.5680 19 S 4.1435 8.0156 114.5218 61.1995 62.9919 176.6116 20 L 4.0169 7.9340 122.9896 57.6965 41.5737 179.3774 21 T 4.0937 7.8086 111.0196 64.2620 68.6863 177.0576 22 T 3.9551 8.0840 118.7338 66.7968 68.4238 176.7793 23 T 3.8660 8.0983 117.9810 66.6171 68.3633 176.8949 24 S 4.1245 8.3073 116.3934 61.6875 62.9151 176.6848 25 T 3.8355 8.0249 119.0106 66.3876 68.3256 176.4122 26 A 4.0118 8.1841 122.7481 55.2952 18.4337 179.7377 27 L 4.1043 8.4217 117.9588 57.6855 41.6153 180.0099 28 G 3.6118 8.2885 106.1279 47.6972 0.0000 176.0214 29 K 4.0618 8.1790 120.8460 59.0834 31.9108 179.5328 30 L 4.0180 7.9043 119.3826 57.5732 41.5109 179.1384 31 Q 3.9417 8.1448 119.5097 59.3920 29.0323 178.0421 32 D 4.3330 8.0843 119.8860 57.3716 40.8135 179.0814 33 V 3.6099 7.6716 118.2702 65.6401 31.5236 177.9706 34 V 3.5632 8.0312 118.4648 66.5239 31.3414 177.9178 35 N 4.3585 8.4228 115.9286 55.8999 38.2418 177.3118 36 Q 3.9093 8.0844 121.2516 59.4868 29.2568 178.2632 37 N 4.3423 8.6744 117.6240 55.9363 38.4443 177.2875 38 A 4.0060 8.3350 122.7461 55.3808 18.3947 179.7371 39 Q 3.8992 8.0922 116.1932 58.8750 28.6841 178.7251 40 A 3.9659 8.1532 121.9132 55.2896 18.5295 179.5110 41 L 3.9077 8.0182 118.6956 58.2663 42.0404 178.9034 42 N 4.3494 8.4458 116.7705 56.6317 38.4945 177.5578 43 T 3.8634 8.1476 117.4450 66.2623 68.5047 176.4291 44 L 3.8976 8.2131 122.6783 58.2408 42.2010 178.9428 45 V 3.5598 7.6137 117.8499 66.1289 31.1475 177.7558 46 K 3.8417 7.9330 116.6684 59.8217 32.0300 178.9890 47 Q 4.1094 7.7685 116.2045 59.1673 28.8361 178.3717 48 L 4.0872 8.1047 118.8018 57.9098 41.6807 178.1732 49 S 4.4484 7.8535 118.5219 58.7331 63.0179 173.8484 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 N 8.28 4.75 0.00 2.77 2.93 0.00 0.00 7.03 6.43 0.00 0.00 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 Q 7.87 3.92 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.89 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 3 K 7.86 4.04 0.00 1.80 1.86 0.00 1.67 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.50 7.81 4 Q 8.01 4.04 0.00 2.29 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 5 I 7.63 3.68 1.87 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 1.46 0.65 0.90 0.00 0.00 6 A 8.33 4.09 1.36 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 0.00 0.00 7 N 8.34 4.35 0.00 2.87 2.94 0.00 0.00 7.21 6.41 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 8 Q 8.07 4.09 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.53 0.00 9 F 8.33 4.09 0.00 3.18 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.65 4.15 0.00 2.77 2.85 0.00 0.00 7.09 6.49 0.00 0.00 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 K 7.94 3.75 0.00 2.06 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 12 A 8.08 3.94 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 13 I 7.69 3.44 1.65 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 -0.05 0.77 0.00 0.00 14 S 7.72 4.50 0.00 3.87 4.03 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 0.00 0.00 0.00 15 Q 7.86 4.02 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 16 I 8.04 3.66 1.95 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 1.48 0.71 0.88 0.00 0.00 17 Q 8.40 3.98 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 18 E 8.34 4.08 0.00 2.09 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 2.31 2.30 0.00 19 S 8.02 4.14 0.00 4.05 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 0.00 20 L 7.93 4.02 0.00 1.87 1.74 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 T 7.81 4.09 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 1.23 0.00 0.00 22 T 8.08 3.96 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 1.20 0.00 0.00 23 T 8.10 3.87 4.39 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 1.21 0.00 0.00 24 S 8.31 4.12 0.00 4.03 4.12 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 0.00 0.00 0.00 0.00 25 T 8.02 3.84 4.44 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 1.21 0.00 0.00 26 A 8.18 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.42 4.10 0.00 1.82 1.73 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.29 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 29 K 8.18 4.06 0.00 1.83 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.69 7.81 30 L 7.90 4.02 0.00 1.87 1.70 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 8.14 3.94 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 8.08 4.33 0.00 2.90 2.70 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 33 V 7.67 3.61 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 1.02 0.00 0.00 0.98 0.00 0.00 34 V 8.03 3.56 2.16 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 1.06 0.00 0.00 0.98 0.00 0.00 35 N 8.42 4.36 0.00 2.83 2.85 0.00 0.00 6.73 7.69 0.00 0.00 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 Q 8.08 3.91 0.00 2.32 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 37 N 8.67 4.34 0.00 2.81 2.85 0.00 0.00 6.99 7.02 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 38 A 8.33 4.01 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 39 Q 8.09 3.90 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.66 0.00 40 A 8.15 3.97 1.31 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 0.00 0.00 41 L 8.02 3.91 0.00 1.78 1.82 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.45 4.35 0.00 2.94 2.85 0.00 0.00 6.99 7.60 0.00 0.00 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 T 8.15 3.86 4.37 0.00 0.00 0.00 0.00 0.00 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 44 L 8.21 3.90 0.00 1.73 1.81 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.61 3.56 2.24 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 0.97 0.00 0.00 0.99 0.00 0.00 46 K 7.93 3.84 0.00 2.01 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.65 7.81 47 Q 7.77 4.11 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.69 0.00 48 L 8.10 4.09 0.00 1.79 1.75 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 49 S 7.85 4.45 0.00 3.87 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