NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6705 8.4393 115.4501 55.4449 42.2251 173.4110 2 S 4.3502 8.3058 108.4702 57.1676 65.6487 171.2429 3 N 4.8809 7.6692 116.0072 50.5847 42.1329 175.6563 4 L 3.5050 7.8294 123.6250 59.0879 43.5103 178.8493 5 S 4.1912 8.1387 112.9191 61.9448 63.2692 176.7495 6 T 3.8656 7.9017 118.7788 66.4425 68.1043 177.1278 7 C 4.2735 8.4996 118.7485 59.9392 39.8495 176.3183 8 V 3.5078 7.3908 118.6021 65.9713 31.1489 177.6213 9 L 4.0152 8.2989 120.6289 58.1122 41.7440 179.2411 10 G 3.5361 8.3800 105.7145 47.8944 0.0000 175.7416 11 K 3.9116 8.1999 121.9960 58.9653 32.0344 179.2365 12 L 3.9641 8.2780 120.8265 58.2256 41.9331 179.2233 13 S 4.0637 8.2667 115.3173 61.4299 62.8228 176.4007 14 Q 3.9151 8.3191 122.5907 59.0793 28.7929 177.9808 15 E 3.9325 8.3091 120.3097 59.2214 29.7056 178.7052 16 L 3.9638 8.0156 118.9922 58.2000 41.4631 179.1563 17 H 4.3985 8.4257 116.4543 58.9450 28.6518 178.0627 18 K 4.0517 8.0758 120.1751 59.8103 31.8582 178.9720 19 L 4.1449 7.9543 121.5929 57.8975 41.7285 178.8399 20 Q 4.1445 7.9344 117.8245 58.4778 28.5275 177.6334 21 T 4.2225 7.6937 109.1193 62.5210 68.6719 175.7384 22 Y 4.1904 7.7140 122.9497 60.8721 38.5758 176.1207 23 P 4.5466 0.0000 0.0000 64.1441 31.4597 176.7870 24 R 4.3130 8.1098 113.9838 55.7898 32.5482 175.7513 25 T 4.5619 7.4783 120.8434 62.0240 70.8569 171.7544 26 N 4.8673 8.8628 126.1414 53.3417 37.8207 174.8372 27 T 4.4138 7.4819 107.2345 63.2661 71.0407 176.6206 28 G 3.8527 7.9504 112.2741 47.6522 0.0000 174.3380 29 S 4.6498 7.3480 116.7312 57.1176 64.1053 174.1020 30 G 4.1075 7.9825 103.4472 45.3057 0.0000 173.4592 31 T 4.6244 7.5074 111.8969 59.4691 70.4164 171.4571 32 P 4.4310 0.0000 0.0000 63.0076 31.2925 176.3206 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 C 8.44 4.67 0.00 3.09 2.36 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 S 8.31 4.35 0.00 4.04 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 3 N 7.67 4.88 0.00 2.75 2.63 0.00 0.00 6.54 6.66 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 4 L 7.83 3.50 0.00 1.76 1.50 0.92 0.90 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 5 S 8.14 4.19 0.00 4.08 4.11 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 0.00 0.00 0.00 0.00 6 T 7.90 3.87 4.36 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 1.21 0.00 0.00 7 C 8.50 4.27 0.00 3.09 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.39 3.51 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 1.17 0.00 0.00 0.99 0.00 0.00 9 L 8.30 4.02 0.00 1.84 1.86 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.38 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.20 3.91 0.00 1.90 1.88 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.60 7.81 12 L 8.28 3.96 0.00 1.84 1.80 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.27 4.06 0.00 4.00 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 14 Q 8.32 3.92 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 15 E 8.31 3.93 0.00 2.26 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 2.30 2.40 0.00 16 L 8.02 3.96 0.00 1.99 1.71 0.95 0.96 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 17 H 8.43 4.40 0.00 3.35 3.34 0.00 5.81 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.08 4.05 0.00 2.25 2.26 0.00 1.35 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.69 1.56 7.81 19 L 7.95 4.14 0.00 1.88 1.97 0.73 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.93 4.14 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 21 T 7.69 4.22 4.31 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 1.34 0.00 0.00 22 Y 7.71 4.19 0.00 3.13 3.03 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 23 P 0.00 4.55 0.00 2.10 2.14 0.00 3.88 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.30 0.00 24 R 8.11 4.31 0.00 1.77 1.90 0.00 3.34 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 25 T 7.48 4.56 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 1.22 0.00 0.00 26 N 8.86 4.87 0.00 3.01 3.13 0.00 0.00 6.35 7.78 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 27 T 7.48 4.41 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 1.22 0.00 0.00 28 G 7.95 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 0.00 0.00 0.00 29 S 7.35 4.65 0.00 3.93 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 30 G 7.98 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.51 4.62 4.26 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 0.00 0.00 0.00 1.22 0.00 0.00 32 P 0.00 4.43 0.00 2.09 1.96 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00