NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3101 8.3193 116.7887 59.0685 64.2863 172.6419 2 H 4.5863 7.6180 113.7026 55.6578 28.6068 173.5642 3 Y 4.3812 8.0211 117.5958 58.5428 39.8478 177.2893 4 E 4.3020 8.5954 122.0358 56.4013 30.3853 176.1218 5 E 4.6396 8.5338 119.5734 55.1515 33.5550 174.9403 6 G 3.8228 8.8426 106.0653 43.4892 0.0000 171.4263 7 P 4.2841 0.0000 0.0000 64.2971 31.3774 177.3657 8 G 3.8652 8.9317 110.4847 45.5982 0.0000 173.6287 9 K 4.4364 7.9783 117.4952 55.9961 33.8704 176.1135 10 N 4.8986 7.8854 115.9562 52.4369 38.3592 174.6809 11 I 4.5095 7.0880 110.5943 59.3953 40.6015 173.5795 12 P 4.5234 0.0000 0.0000 63.3088 31.4435 175.9172 13 F 4.9468 6.7688 112.6334 54.8802 40.6680 174.5636 14 S 4.2657 8.7244 117.8617 58.3472 62.8155 174.0080 15 V 4.5245 8.0838 125.1480 61.5131 31.6270 176.5203 16 E 4.0113 8.0807 121.8517 58.6249 29.6114 176.9750 17 N 4.9093 7.9216 117.0140 50.9800 41.4403 174.7617 18 K 3.7340 8.5214 128.4895 59.5703 32.6145 178.7482 19 W 4.4935 8.4098 120.2803 59.1026 29.2256 178.5420 20 R 4.0726 8.2980 118.4229 58.9767 29.6316 178.1211 21 L 3.9676 8.1961 120.6351 57.9730 42.1336 178.4280 22 L 3.9795 7.8555 120.1179 58.2816 41.9152 179.0133 23 A 4.0475 7.9127 119.9396 55.5276 18.3242 179.5593 24 M 4.0484 8.1696 117.2472 58.7967 32.0118 178.9769 25 M 4.1294 8.6224 119.1930 58.6303 32.1385 178.8391 26 T 3.9948 8.0708 115.8618 66.7316 68.6970 176.6112 27 L 4.0353 8.1311 120.7177 58.3891 41.8189 178.5953 28 F 4.0318 8.6715 120.6333 61.9562 39.0284 177.0485 29 F 4.1957 9.0920 117.2201 60.2290 38.8798 178.0650 30 G 3.7435 8.4785 105.8607 47.9936 0.0000 175.6863 31 S 4.2420 8.7483 118.1037 60.8753 62.5144 176.8339 32 G 3.5001 7.5674 107.8457 47.7146 0.0000 175.2483 33 F 4.3955 8.4545 122.3633 60.6947 39.6596 176.7684 34 A 4.4118 8.7299 120.7327 54.7094 18.1841 179.0381 35 A 4.0103 8.0729 119.6608 55.4351 18.4212 178.0199 36 P 4.0990 0.0000 0.0000 65.8674 31.4400 178.8886 37 F 4.0350 7.9931 116.0601 60.3190 38.6864 177.4695 38 F 4.2011 8.3498 116.5390 59.6210 38.8487 177.9852 39 I 3.7981 7.7264 120.1502 64.2977 36.9432 178.3593 40 V 3.5372 7.7868 119.1432 65.9421 31.3812 178.1027 41 R 3.8442 7.7988 118.0013 59.6338 29.7355 177.8588 42 H 4.1937 8.2850 117.2196 59.5152 29.9763 176.9477 43 Q 4.0629 8.4567 120.0745 58.9377 27.2296 178.6493 44 L 4.1054 8.1640 119.7288 56.9294 41.2537 178.3286 45 L 4.4833 7.3080 117.4054 54.5525 41.9675 177.1282 46 K 4.3836 8.5867 120.2356 54.9340 34.1535 176.3762 47 K 3.9465 7.0020 121.5305 56.9326 34.1385 173.7917 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 S 8.32 4.31 0.00 2.79 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 2 H 7.62 4.59 0.00 3.22 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.02 4.38 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.60 4.30 0.00 1.98 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 2.33 2.36 0.00 5 E 8.53 4.64 0.00 1.91 1.80 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 2.21 2.30 0.00 6 G 8.84 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 0.00 0.00 0.00 7 P 0.00 4.28 0.00 2.02 2.01 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 8 G 8.93 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 0.00 0.00 0.00 0.00 9 K 7.98 4.44 0.00 1.88 1.80 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.34 7.81 10 N 7.89 4.90 0.00 2.76 2.84 0.00 0.00 5.82 7.81 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 11 I 7.09 4.51 0.92 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.46 0.68 0.00 0.00 12 P 0.00 4.52 0.00 2.24 2.19 0.00 3.64 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 2.21 2.00 0.00 13 F 6.77 4.95 0.00 3.16 2.88 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 14 S 8.72 4.27 0.00 3.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.08 4.52 2.00 0.00 0.00 0.00 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 1.01 0.00 0.00 16 E 8.08 4.01 0.00 1.99 2.06 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 2.34 2.28 0.00 17 N 7.92 4.91 0.00 2.74 2.69 0.00 0.00 6.98 7.08 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 18 K 8.52 3.73 0.00 1.53 1.76 0.00 0.95 0.00 0.00 1.07 0.00 0.00 2.74 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.90 0.21 7.81 19 W 8.41 4.49 0.00 3.59 3.27 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 20 R 8.30 4.07 0.00 1.96 1.97 0.00 3.22 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 21 L 8.20 3.97 0.00 1.90 1.83 1.11 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.86 3.98 0.00 2.13 1.90 1.27 1.15 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 23 A 7.91 4.05 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 24 M 8.17 4.05 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 25 M 8.62 4.13 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 26 T 8.07 3.99 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 27 L 8.13 4.04 0.00 2.06 1.78 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.67 4.03 0.00 3.02 2.94 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 29 F 9.09 4.20 0.00 3.17 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 30 G 8.48 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 0.00 0.00 0.00 31 S 8.75 4.24 0.00 3.95 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 32 G 7.57 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.45 4.40 0.00 3.15 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.73 4.41 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.07 4.01 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 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.10 0.00 1.61 1.84 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 37 F 7.99 4.03 0.00 3.12 2.88 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 38 F 8.35 4.20 0.00 3.18 3.14 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 0.00 0.00 0.00 0.00 39 I 7.73 3.80 2.00 0.00 0.00 0.84 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 0.94 0.92 0.00 0.00 40 V 7.79 3.54 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 0.95 0.00 0.00 0.82 0.00 0.00 41 R 7.80 3.84 0.00 1.93 2.07 0.00 3.11 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 42 H 8.29 4.19 0.00 3.23 3.62 0.00 6.00 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.46 4.06 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 44 L 8.16 4.11 0.00 1.96 1.71 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.31 4.48 0.00 1.65 1.67 0.95 0.73 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 46 K 8.59 4.38 0.00 1.61 1.79 0.00 1.56 0.00 0.00 1.52 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.28 1.36 7.81 47 K 7.00 3.95 0.00 1.78 1.74 0.00 1.84 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.21 1.24 7.81