NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5406 8.3601 120.3184 52.6917 40.6977 174.9536 2 A 3.7897 8.2536 124.2187 51.7304 18.9008 175.8107 3 T 3.9344 8.6852 117.9859 63.6224 69.8265 172.6080 4 Y 4.8347 8.2609 123.2947 56.2378 41.6483 174.3214 5 T 4.8610 8.4808 110.7249 59.0426 72.2219 174.5514 6 W 4.1238 9.0105 130.3797 60.6759 30.5838 177.5695 7 E 4.1236 7.7902 116.2418 59.1053 28.9115 177.5963 8 H 4.4039 8.0986 114.6663 57.1532 28.9148 175.8360 9 L 4.1679 7.4123 118.1983 54.1191 41.8767 176.6849 10 A 4.0442 7.5955 123.0071 51.4177 18.7722 177.3802 11 W 4.1242 8.8010 133.6116 56.7138 31.4462 173.9830 12 P 4.2784 0.0000 0.0000 62.9893 30.8363 176.0141 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 D 8.36 4.54 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 3.79 0.91 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 3 T 8.69 3.93 4.11 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 0.00 0.00 0.00 1.18 0.00 0.00 4 Y 8.26 4.83 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.48 4.86 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 6 W 9.01 4.12 0.00 3.51 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 7 E 7.79 4.12 0.00 2.00 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 2.40 2.41 0.00 8 H 8.10 4.40 0.00 3.25 3.23 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 7.41 4.17 0.00 1.01 1.27 -0.07 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.60 4.04 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 11 W 8.80 4.12 0.00 3.38 3.06 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 0.00 0.00 0.00 0.00 12 P 0.00 4.28 0.00 1.96 1.73 0.00 2.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.33 0.00