NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0964 8.0249 120.7861 60.5525 39.1590 175.0553 4 Q 3.9144 8.6322 126.9520 55.3355 29.2080 173.9848 5 I 4.3125 8.9000 125.0248 58.6903 39.2067 173.6205 6 P 4.3367 0.0000 0.0000 61.6420 31.8140 174.3294 7 P 4.2350 0.0000 0.0000 64.3319 31.8292 176.8072 8 G 4.0962 8.9343 109.3978 45.3384 0.0000 174.9420 9 L 3.9423 7.8107 122.1197 58.5583 42.0400 178.9942 10 T 3.9402 7.8628 115.1994 66.7180 68.3245 176.4210 11 E 4.0181 8.1949 120.0808 59.1513 29.6063 179.0272 12 L 4.1461 8.1414 120.4668 58.3035 42.2605 179.1131 13 L 4.2009 8.1218 119.0033 57.7774 41.4552 179.2216 14 Q 4.1234 8.6448 120.1458 59.2110 29.0871 178.6787 15 G 3.6846 8.4343 106.8415 47.8445 0.0000 175.0949 16 Y 2.7915 7.9000 121.3982 60.4201 38.6748 178.2843 17 T 3.6099 8.0064 116.6422 66.4515 68.5462 176.6903 18 V 3.5200 7.9880 120.4252 66.2437 31.4629 178.0325 19 E 4.0485 7.9459 117.6647 59.0872 29.2225 179.4023 20 V 2.8194 7.6537 118.8852 65.7506 31.2503 178.1473 21 L 3.8692 7.7523 117.9146 57.6329 41.4667 179.4918 22 R 4.0165 7.8074 117.2730 59.1523 30.2064 178.4725 23 Q 4.1444 8.1202 115.7192 55.2923 30.0241 175.6655 24 Q 3.2517 7.8968 118.5237 55.9702 26.7988 172.6553 25 P 4.2764 0.0000 0.0000 61.9965 32.2804 175.3994 26 P 4.2002 0.0000 0.0000 64.4320 31.7158 176.0835 27 D 4.7989 7.7364 116.9348 51.9409 42.3270 175.8119 28 L 4.1698 8.3371 127.9126 57.4913 41.7661 179.4944 29 V 3.6720 7.9041 117.9448 66.0011 31.6758 177.5168 30 E 4.0037 8.7873 119.2352 59.2905 29.4225 178.4948 31 F 4.2079 8.6144 120.5234 61.2464 39.3532 176.9734 32 A 4.1857 8.7566 120.7480 55.1686 18.2448 179.6131 33 V 3.6449 8.0800 116.8083 66.4221 31.5094 178.2035 34 E 3.9434 8.3022 118.1463 59.3429 29.2193 178.6274 35 Y 3.6011 8.0409 119.9138 60.8010 38.8634 178.3501 36 F 4.2700 8.4458 118.7688 60.4750 39.0655 178.0643 37 T 3.8948 8.0737 115.7395 66.7564 68.0564 176.9189 38 R 4.1313 7.8612 120.3476 58.5826 30.4344 178.6136 39 L 3.9189 7.8883 120.4172 57.9155 42.1865 178.9285 40 R 3.9133 8.1401 118.8332 59.4512 29.5758 178.1576 41 E 4.1697 8.1182 117.2542 58.2315 29.3655 178.0779 42 A 4.2769 7.4930 119.1159 52.5880 18.9115 177.3667 43 R 4.0255 7.3452 117.9295 56.3990 29.3560 176.5330 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 I 8.02 4.10 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 1.41 1.34 0.91 0.00 0.00 4 Q 8.63 3.91 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 5 I 8.90 4.31 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 1.41 0.72 0.91 0.00 0.00 6 P 0.00 4.34 0.00 2.17 1.97 0.00 3.60 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 7 P 0.00 4.23 0.00 2.18 2.06 0.00 3.77 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 1.97 0.00 8 G 8.93 4.10 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 0.00 0.00 0.00 9 L 7.81 3.94 0.00 1.80 1.73 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 T 7.86 3.94 4.27 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 1.24 0.00 0.00 11 E 8.19 4.02 0.00 2.23 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 0.00 2.43 2.46 0.00 12 L 8.14 4.15 0.00 1.91 1.98 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.12 4.20 0.00 1.97 1.79 0.95 0.70 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 14 Q 8.64 4.12 0.00 2.30 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 15 G 8.43 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.90 2.79 0.00 2.48 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 17 T 8.01 3.61 4.38 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 1.17 0.00 0.00 18 V 7.99 3.52 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 1.03 0.00 0.00 0.95 0.00 0.00 19 E 7.95 4.05 0.00 2.06 2.29 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 2.45 2.73 0.00 20 V 7.65 2.82 1.78 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 0.81 0.00 0.00 -0.05 0.00 0.00 21 L 7.75 3.87 0.00 1.70 1.64 0.87 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.81 4.02 0.00 1.77 1.97 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 23 Q 8.12 4.14 0.00 1.83 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.67 0.00 24 Q 7.90 3.25 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.82 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 25 P 0.00 4.28 0.00 2.00 1.58 0.00 3.42 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.44 0.00 26 P 0.00 4.20 0.00 2.06 2.14 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 27 D 7.74 4.80 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 4.17 0.00 1.83 1.90 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.90 3.67 2.27 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 1.09 0.00 0.00 0.99 0.00 0.00 30 E 8.79 4.00 0.00 2.29 2.04 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 0.00 2.38 2.46 0.00 31 F 8.61 4.21 0.00 3.30 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 8.76 4.19 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 33 V 8.08 3.64 2.26 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 1.06 0.00 0.00 1.04 0.00 0.00 34 E 8.30 3.94 0.00 2.08 1.87 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 2.32 2.55 0.00 35 Y 8.04 3.60 0.00 2.46 2.61 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 36 F 8.45 4.27 0.00 3.36 3.04 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 0.00 0.00 0.00 0.00 37 T 8.07 3.89 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 1.22 0.00 0.00 38 R 7.86 4.13 0.00 1.70 1.84 0.00 3.06 0.00 0.00 2.90 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.50 0.00 39 L 7.89 3.92 0.00 1.38 1.68 0.83 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.14 3.91 0.00 2.04 2.08 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 41 E 8.12 4.17 0.00 2.20 1.95 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 2.31 2.41 0.00 42 A 7.49 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.35 4.03 0.00 2.02 1.94 0.00 3.09 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.58 0.00