NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3543 8.4449 120.2269 56.6327 29.9008 175.0984 2 L 4.4864 8.2833 125.6092 53.8918 42.3206 175.1603 3 L 4.3711 8.5937 120.4511 54.0468 43.3217 176.8658 4 E 4.1407 8.7476 123.7503 58.6511 29.9803 177.3053 5 L 4.3680 7.7283 118.0468 55.8132 40.7865 177.5047 6 D 4.7059 7.8914 118.8751 54.9863 39.1901 177.2491 7 K 4.2634 7.9626 121.2633 58.3313 32.3056 177.2634 8 W 4.4449 8.0182 116.5475 57.9552 29.2536 177.6969 9 A 4.1212 8.1600 122.2586 55.0651 17.6026 179.2387 10 S 4.3240 7.5819 109.7788 60.1626 62.5895 175.0912 11 L 4.4631 7.8600 119.9942 55.1756 41.7264 176.2822 12 W 5.0404 7.7278 128.7538 56.6080 31.5495 174.3794 13 N 4.0339 8.2281 120.4599 53.9342 38.3979 173.7249 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 E 8.44 4.35 0.00 1.96 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 2.22 2.40 0.00 2 L 8.28 4.49 0.00 1.67 1.65 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.59 4.37 0.00 1.62 1.57 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.75 4.14 0.00 1.92 1.97 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 2.30 2.27 0.00 5 L 7.73 4.37 0.00 1.53 1.66 0.75 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 D 7.89 4.71 0.00 2.92 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 7 K 7.96 4.26 0.00 1.92 2.00 0.00 1.77 0.00 0.00 1.91 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.60 7.81 8 W 8.02 4.44 0.00 3.56 3.24 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 9 A 8.16 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.58 4.32 0.00 3.75 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 11 L 7.86 4.46 0.00 1.68 1.57 -0.21 0.70 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 12 W 7.73 5.04 0.00 3.27 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 13 N 8.23 4.03 0.00 2.72 2.62 0.00 0.00 7.02 7.54 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