NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1716 8.1233 123.5722 52.0520 19.9799 176.1223 2 C 4.7754 7.9735 117.5705 54.9227 41.1376 171.5490 3 Y 4.8586 8.6000 119.3947 56.5435 43.1211 172.7930 4 C 5.3939 8.9240 121.8883 55.7415 43.2506 172.9603 5 R 5.0686 9.7177 124.4639 54.4947 34.3593 174.0592 6 A 4.6303 7.5112 121.5870 49.3571 21.8631 174.5693 7 P 4.1017 0.0000 0.0000 63.4973 32.0661 175.4266 8 A 4.4270 7.0314 120.0175 51.3141 21.8166 176.4556 9 C 4.4734 8.4631 117.0074 57.0143 41.6069 174.2096 10 I 3.9959 8.5179 123.5812 60.4619 37.4245 175.8417 11 A 4.0942 8.4536 127.5212 54.1672 18.6317 176.3390 12 G 4.1504 9.0224 109.4897 45.8354 0.0000 174.2258 13 E 4.4841 7.9326 117.8429 55.5938 30.6931 175.5054 14 R 4.6372 8.7959 121.4305 54.5328 33.0619 174.6414 15 R 4.6445 8.3075 125.5362 56.0949 31.2300 175.8890 16 Y 4.4306 8.9532 124.0259 56.4552 38.3755 177.6463 17 G 3.9102 8.4101 113.2299 45.2322 0.0000 169.6419 18 T 5.4534 8.3630 109.8500 60.0661 72.7278 172.5051 19 C 4.9657 9.1844 116.0333 53.8480 44.9885 173.1029 20 I 4.7197 8.5526 124.7746 60.4063 37.6219 174.6840 21 Y 4.5362 8.6541 128.9684 56.7411 40.8812 175.2554 22 Q 3.1875 9.3438 125.2662 56.8065 26.4428 174.6740 23 G 3.8954 8.3524 102.8937 45.5702 0.0000 174.1052 24 R 4.6134 7.6869 118.5295 53.8597 32.7070 174.9639 25 L 4.7590 8.6215 123.8450 54.5872 42.4227 175.6034 26 W 5.0536 9.4590 126.6369 54.9727 33.0602 174.4901 27 A 4.9429 9.0820 122.8100 50.8009 20.7539 176.1235 28 F 5.1044 8.8477 124.2718 57.2715 40.9706 173.8930 29 C 5.5235 8.8771 124.1597 55.2912 41.9188 173.7876 30 C 5.0610 9.1646 119.9598 55.9704 41.8436 173.9739 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 A 8.12 4.17 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.97 4.78 0.00 2.57 1.82 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 3 Y 8.60 4.86 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.92 5.39 0.00 3.18 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 5 R 9.72 5.07 0.00 1.70 1.66 0.00 3.20 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 6 A 7.51 4.63 -0.49 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 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.10 0.00 2.10 2.05 0.00 3.67 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 8 A 7.03 4.43 1.18 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 0.00 0.00 9 C 8.46 4.47 0.00 2.96 3.16 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 0.00 0.00 0.00 0.00 10 I 8.52 4.00 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.89 0.00 0.00 11 A 8.45 4.09 1.23 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 0.00 0.00 12 G 9.02 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.93 4.48 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 14 R 8.80 4.64 0.00 1.82 1.84 0.00 2.98 0.00 0.00 2.86 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.30 0.00 15 R 8.31 4.64 0.00 1.83 1.73 0.00 3.37 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 16 Y 8.95 4.43 0.00 3.07 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 17 G 8.41 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 5.45 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 19 C 9.18 4.97 0.00 3.04 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.55 4.72 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.91 0.00 0.00 21 Y 8.65 4.54 0.00 2.62 2.10 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 22 Q 9.34 3.19 0.00 1.63 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 1.62 1.16 0.00 23 G 8.35 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.69 4.61 0.00 1.96 2.11 0.00 3.33 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 25 L 8.62 4.76 0.00 1.73 1.73 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 26 W 9.46 5.05 0.00 3.50 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 27 A 9.08 4.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.85 5.10 0.00 3.23 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 29 C 8.88 5.52 0.00 2.92 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 30 C 9.16 5.06 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00