NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9748 8.2127 109.7405 45.4336 0.0000 174.5319 2 I 2.9949 8.0708 118.0505 63.1668 37.4455 173.6658 3 V 3.5610 8.3235 120.0305 65.8049 31.6201 177.2946 4 E 3.9872 7.9563 116.8921 59.4917 29.2454 178.6947 5 Q 4.1421 8.3901 119.6635 58.8809 29.0907 176.4287 6 C 5.2333 8.3429 115.4306 56.3455 40.7990 174.3696 7 C 4.3108 7.4765 117.5288 62.4561 28.5477 175.1301 8 T 4.0359 8.0965 114.6426 66.0697 68.4712 174.1767 9 S 4.7827 7.4232 111.4162 56.0631 66.0475 172.9008 10 I 4.2612 8.1692 121.6066 60.6325 38.6573 175.5643 11 C 5.1086 8.4750 124.3090 55.2919 41.7134 174.6627 12 S 4.5084 8.6552 119.6828 57.6002 64.9878 175.1433 13 L 3.8232 8.1588 122.9460 58.3791 41.3744 178.4749 14 Y 3.9851 6.9557 115.3485 61.1267 38.0742 178.1469 15 Q 4.1750 8.1318 118.7363 58.9795 28.7867 178.7832 16 L 4.2406 8.0472 120.0238 57.9366 41.7960 179.2980 17 E 3.9597 8.2301 118.4101 59.4277 29.0712 179.0584 18 N 4.1959 7.6147 115.7217 56.1501 38.5983 175.9227 19 Y 4.5579 7.5864 115.1670 57.7220 38.5710 175.7012 20 C 4.4658 7.2349 117.6911 59.1188 29.1035 173.4864 21 N 4.5389 8.5795 117.8841 53.8111 38.1100 175.3004 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 G 8.21 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 0.00 0.00 0.00 2 I 8.07 2.99 0.61 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 1.19 0.11 0.64 0.00 0.00 3 V 8.32 3.56 2.03 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 0.98 0.00 0.00 0.85 0.00 0.00 4 E 7.96 3.99 0.00 2.25 2.01 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 2.32 2.43 0.00 5 Q 8.39 4.14 0.00 2.19 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 6 C 8.34 5.23 0.00 3.01 3.09 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 0.00 0.00 0.00 7 C 7.48 4.31 0.00 3.19 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.10 4.04 4.25 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 1.22 0.00 0.00 9 S 7.42 4.78 0.00 4.01 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.26 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 1.43 0.85 0.92 0.00 0.00 11 C 8.47 5.11 0.00 3.03 3.05 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 0.00 0.00 0.00 12 S 8.66 4.51 0.00 4.29 4.12 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 13 L 8.16 3.82 0.00 1.48 1.02 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.96 3.99 0.00 3.12 3.10 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 15 Q 8.13 4.18 0.00 2.36 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 16 L 8.05 4.24 0.00 1.84 1.76 0.92 0.87 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 17 E 8.23 3.96 0.00 2.21 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 2.32 2.33 0.00 18 N 7.61 4.20 0.00 2.42 2.31 0.00 0.00 7.00 8.78 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 19 Y 7.59 4.56 0.00 3.08 2.93 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 20 C 7.23 4.47 0.00 3.01 2.87 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 21 N 8.58 4.54 0.00 2.72 2.74 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00