NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1774 8.2601 123.5723 51.9616 19.9311 175.8352 1 A 4.4695 8.1901 124.7328 50.1230 20.7021 175.1667 2 Y 4.2396 9.2409 121.1613 57.8171 39.7828 173.8441 3 S 4.8919 8.5636 119.5643 56.8786 65.1578 173.1105 4 D 5.0694 8.2912 121.2322 51.5180 42.1954 175.1172 5 Q 4.3731 8.3973 118.6603 54.7245 30.0194 175.6970 6 A 4.3794 8.3186 125.1939 51.5317 19.7442 176.9642 7 T 4.3052 8.2724 112.0446 60.2188 70.1099 172.6483 8 P 4.7392 0.0000 0.0000 60.9553 33.1537 175.3000 9 L 4.1154 8.1277 121.7524 54.9664 42.6696 176.5399 10 L 4.3179 8.0256 123.5548 53.3203 42.8019 176.3235 11 L 4.1162 8.2090 122.1561 54.5791 41.9868 176.6872 12 S 4.3030 8.6509 120.0788 58.6815 62.8849 174.0222 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 0 A 8.26 4.18 1.15 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 1 A 8.19 4.47 1.27 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 0.00 0.00 0.00 2 Y 9.24 4.24 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.56 4.89 0.00 3.88 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 4 D 8.29 5.07 0.00 2.74 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.40 4.37 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 6 A 8.32 4.38 1.24 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 0.00 0.00 0.00 7 T 8.27 4.31 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 1.21 0.00 0.00 8 P 0.00 4.74 0.00 2.19 2.08 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 9 L 8.13 4.12 0.00 1.63 1.61 0.92 0.98 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 10 L 8.03 4.32 0.00 1.65 1.60 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.21 4.12 0.00 1.60 1.59 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.65 4.30 0.00 4.01 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