NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2414 8.2393 119.7055 56.3172 30.4196 174.7141 4 S 4.4780 7.6445 121.0297 55.8311 65.1234 173.9346 5 L 3.9788 8.2884 120.0396 57.7414 42.2131 180.1501 6 S 4.2628 7.9670 111.2142 58.9501 63.5928 175.1026 7 G 3.9444 7.7983 109.4527 45.0100 0.0000 173.6023 8 L 4.5146 7.5902 119.6884 54.2364 42.8976 176.1249 9 T 4.5753 8.8103 111.9236 60.5374 71.7777 175.5190 10 E 3.8722 8.7136 122.3972 59.7692 29.4583 179.1921 11 E 4.0341 8.0922 118.1527 59.1796 29.5381 178.8837 12 E 3.9554 8.1532 118.5577 59.1079 29.4447 178.9438 13 A 3.9821 8.2561 121.1883 55.5548 18.6010 179.8035 14 I 3.6354 7.8047 117.8320 64.3332 36.9965 178.7043 15 A 4.0020 7.9708 121.7410 55.0333 18.2267 179.7707 16 V 3.5237 8.0561 117.0409 66.6364 31.7336 177.6883 17 H 4.0524 8.5323 118.0727 59.1636 29.4742 176.7780 18 D 4.3163 7.9613 119.5760 57.4781 41.1027 178.0654 19 Q 4.0615 7.9987 119.7333 58.7224 28.9408 177.8296 20 F 3.9280 8.4529 122.1171 61.3265 39.5521 177.0340 21 K 4.1774 8.3301 118.0609 60.0578 31.8380 179.4197 22 T 3.9019 7.7996 115.3577 67.0940 68.5237 177.0204 23 T 3.8855 8.2064 117.7635 66.5729 68.3811 176.5616 24 F 4.1832 8.6393 123.0472 61.5367 39.4004 177.4348 25 S 4.0575 8.3582 114.5295 61.3749 62.5768 176.5173 26 A 4.0004 7.9761 123.6999 54.8402 17.9870 179.4289 27 F 4.0881 8.2464 119.1634 61.6577 39.5571 177.3012 28 I 3.1527 7.6182 119.8538 64.2679 36.8562 178.5050 29 I 3.7129 7.6398 113.8144 63.8245 37.5396 178.3427 30 L 3.9494 7.8945 120.6063 57.3576 41.3913 179.2760 31 A 3.8355 7.9898 121.0449 54.8421 18.2244 179.5252 32 A 3.8555 7.9202 119.3505 55.2152 18.4722 179.9440 33 V 3.5277 7.8722 116.5145 66.1688 31.7134 178.0024 34 A 4.0523 8.0822 120.3867 55.7069 18.1639 179.3918 35 H 4.3307 8.5855 114.6732 58.8154 28.6569 178.3190 36 V 3.7251 7.9898 120.2234 66.0784 31.3083 177.9590 37 L 4.0860 8.1390 118.7739 57.9186 41.4872 179.8706 38 V 3.9345 7.9953 117.5579 65.9900 31.3951 177.7824 39 W 4.1064 8.6609 126.9058 60.6432 30.5308 177.7505 40 V 3.8492 8.3146 117.7108 65.5316 31.0160 177.4784 41 W 4.7394 7.9130 127.5737 59.0912 31.3361 176.1738 42 K 3.8349 8.1911 118.5541 54.3367 32.8592 172.3269 43 P 2.9700 0.0000 0.0000 61.8711 31.3255 176.8058 44 W 4.4951 7.0471 116.4967 56.2607 28.7988 176.1916 45 F 4.7689 6.8104 123.1807 58.1015 39.3962 174.4541 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 3 R 8.24 4.24 0.00 1.81 1.99 0.00 3.32 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 4 S 7.64 4.48 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 3.98 0.00 1.64 1.76 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 6 S 7.97 4.26 0.00 3.96 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 7 G 7.80 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 8 L 7.59 4.51 0.00 1.74 1.58 0.92 0.44 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 9 T 8.81 4.58 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 1.27 0.00 0.00 10 E 8.71 3.87 0.00 2.04 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 0.00 2.37 2.40 0.00 11 E 8.09 4.03 0.00 2.10 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 2.40 2.45 0.00 12 E 8.15 3.96 0.00 2.28 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 0.00 2.33 2.33 0.00 13 A 8.26 3.98 1.34 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 0.00 0.00 14 I 7.80 3.64 2.01 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 1.45 1.03 0.93 0.00 0.00 15 A 7.97 4.00 1.41 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 0.00 0.00 16 V 8.06 3.52 2.11 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 1.07 0.00 0.00 0.96 0.00 0.00 17 H 8.53 4.05 0.00 3.32 3.31 0.00 5.83 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.96 4.32 0.00 3.12 2.80 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 19 Q 8.00 4.06 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 20 F 8.45 3.93 0.00 3.23 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 21 K 8.33 4.18 0.00 2.07 1.96 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.60 7.81 22 T 7.80 3.90 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 1.24 0.00 0.00 23 T 8.21 3.89 4.14 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 1.15 0.00 0.00 24 F 8.64 4.18 0.00 2.86 3.23 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 25 S 8.36 4.06 0.00 4.22 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 26 A 7.98 4.00 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 27 F 8.25 4.09 0.00 2.99 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 28 I 7.62 3.15 1.59 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.37 0.74 0.00 0.00 29 I 7.64 3.71 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.82 0.95 0.00 0.00 30 L 7.89 3.95 0.00 1.79 1.71 0.94 0.74 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 31 A 7.99 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.92 3.86 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 33 V 7.87 3.53 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 1.01 0.00 0.00 0.97 0.00 0.00 34 A 8.08 4.05 1.41 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 0.00 0.00 35 H 8.59 4.33 0.00 3.51 3.70 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.99 3.73 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 1.20 0.00 0.00 1.01 0.00 0.00 37 L 8.14 4.09 0.00 1.98 1.78 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.00 3.93 2.40 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 1.21 0.00 0.00 1.10 0.00 0.00 39 W 8.66 4.11 0.00 3.51 3.31 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 40 V 8.31 3.85 2.49 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 0.97 0.00 0.00 1.07 0.00 0.00 41 W 7.91 4.74 0.00 3.22 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 3.83 0.00 0.79 0.74 0.00 1.32 0.00 0.00 1.39 0.00 0.00 2.13 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.90 0.81 7.81 43 P 0.00 2.97 0.00 1.10 0.49 0.00 3.35 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 44 W 7.05 4.50 0.00 3.04 3.12 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 45 F 6.81 4.77 0.00 3.35 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00