NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9675 8.2127 109.7417 45.0057 0.0000 174.1311 2 I 3.3489 8.1697 117.8846 63.1741 37.4169 172.4566 3 V 3.5245 8.4300 120.1479 66.0303 31.6025 177.3358 4 E 4.0263 8.0674 117.8744 59.4307 29.1884 179.1431 5 Q 3.9510 8.1524 117.4026 58.0762 28.9073 176.8329 6 C 5.1540 8.3345 115.9797 55.9422 42.0181 174.4288 7 C 4.3900 8.1523 118.0857 61.4355 28.9289 175.3803 8 T 4.1104 7.4083 108.8349 63.5796 68.8396 174.5441 9 S 4.7112 7.5800 114.8086 56.0095 66.2946 172.8341 10 I 4.0481 8.1462 121.1142 60.7680 38.5694 175.5849 11 C 5.1604 8.4074 123.1494 54.8251 42.2820 174.9673 12 S 4.5307 8.8282 119.9467 58.0810 64.7864 175.4781 13 L 3.9364 8.4871 122.5544 58.1474 41.0899 179.4830 14 Y 3.8725 7.9594 115.7217 60.9765 38.1911 177.8618 15 Q 4.2122 8.5860 119.3577 58.9868 28.7780 178.6340 16 L 4.2820 8.3731 120.3530 57.8579 41.6102 179.0967 17 E 3.9542 8.1875 119.1685 59.2103 29.2222 178.5290 18 N 4.3932 7.9886 115.5120 55.6212 38.5894 175.7708 19 Y 4.3997 7.9356 116.5072 57.5681 38.5930 175.5724 20 C 4.4414 7.2381 118.1285 59.5854 29.0513 173.4881 21 N 4.5432 8.5435 117.8435 53.6865 38.2994 175.4016 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 8.17 3.35 1.34 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.73 0.00 0.00 3 V 8.43 3.52 2.06 0.00 0.00 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 0.88 0.00 0.00 4 E 8.07 4.03 0.00 2.22 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 2.46 0.00 5 Q 8.15 3.95 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 6 C 8.33 5.15 0.00 2.91 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 7 C 8.15 4.39 0.00 3.13 2.95 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 0.00 0.00 0.00 8 T 7.41 4.11 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 1.26 0.00 0.00 9 S 7.58 4.71 0.00 3.97 3.95 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 0.00 0.00 0.00 10 I 8.15 4.05 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 0.71 0.93 0.00 0.00 11 C 8.41 5.16 0.00 2.98 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 12 S 8.83 4.53 0.00 4.21 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 8.49 3.94 0.00 1.50 1.56 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.96 3.87 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 15 Q 8.59 4.21 0.00 2.33 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 16 L 8.37 4.28 0.00 1.90 1.77 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.19 3.95 0.00 2.11 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 2.33 0.00 18 N 7.99 4.39 0.00 2.62 2.61 0.00 0.00 7.00 7.11 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 19 Y 7.94 4.40 0.00 3.05 2.98 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 0.00 0.00 0.00 20 C 7.24 4.44 0.00 2.99 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 8.54 4.54 0.00 2.72 2.73 0.00 0.00 6.82 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00