NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2506 8.2649 123.5715 50.8516 19.9425 176.4177 2 P 3.9626 0.0000 0.0000 62.3717 31.6022 175.6351 3 S 4.2035 7.9543 116.9634 60.5814 64.1991 174.0941 4 Y 4.5291 6.8058 117.6902 55.9155 39.1662 174.6764 5 S 4.5191 8.5075 116.0425 57.0067 63.7224 172.8978 6 P 4.6035 0.0000 0.0000 61.6427 31.7946 174.3294 7 P 4.4198 0.0000 0.0000 61.8786 31.7874 174.6238 8 P 4.4807 0.0000 0.0000 61.7440 32.0371 174.4139 9 P 4.3558 0.0000 0.0000 61.9870 31.8861 174.9164 10 P 4.4203 0.0000 0.0000 63.1336 31.2750 176.1574 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 A 8.26 4.25 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 3.96 0.00 1.38 0.66 0.00 3.51 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.98 0.00 3 S 7.95 4.20 0.00 3.84 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 4 Y 6.81 4.53 0.00 3.03 3.01 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 0.00 0.00 0.00 5 S 8.51 4.52 0.00 3.96 3.88 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 6 P 0.00 4.60 0.00 2.21 2.09 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 7 P 0.00 4.42 0.00 2.21 2.11 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 8 P 0.00 4.48 0.00 2.21 2.10 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 P 0.00 4.36 0.00 2.06 2.03 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 10 P 0.00 4.42 0.00 2.18 2.04 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00