NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4027 8.3349 116.7964 57.9500 63.1055 173.1880 2 R 3.9190 8.2652 124.6429 55.9130 30.5026 170.8141 3 V 4.4744 7.5393 117.2681 60.9536 35.5601 173.6897 4 T 4.3710 8.2467 115.0812 60.7241 71.1332 175.8830 5 W 4.4831 8.6517 119.9060 59.6798 27.8357 178.0198 6 Y 3.9156 7.1841 119.6153 60.8349 38.7117 176.9161 7 D 4.2826 8.1001 119.8049 56.9886 40.6866 178.5121 8 F 4.2493 8.1900 121.0505 61.5272 39.2646 177.1930 9 L 3.7663 7.6196 116.2539 56.7702 41.4340 178.1599 10 M 4.3048 7.0318 117.3262 53.9062 32.1668 175.5903 11 E 4.0881 7.1592 120.6992 56.1444 30.1596 176.7153 12 D 4.4592 8.5720 122.6909 54.4922 41.0624 176.3220 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 S 8.33 4.40 0.00 3.89 3.94 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 R 8.27 3.92 0.00 1.88 1.91 0.00 3.23 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 3 V 7.54 4.47 2.14 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 0.84 0.00 0.00 1.01 0.00 0.00 4 T 8.25 4.37 4.09 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 0.00 0.00 1.18 0.00 0.00 5 W 8.65 4.48 0.00 3.62 3.42 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 Y 7.18 3.92 0.00 1.95 2.66 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 D 8.10 4.28 0.00 2.78 2.71 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 F 8.19 4.25 0.00 3.19 3.35 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 L 7.62 3.77 0.00 1.70 1.65 1.18 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 10 M 7.03 4.30 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 11 E 7.16 4.09 0.00 1.75 1.83 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 2.32 2.52 0.00 12 D 8.57 4.46 0.00 2.63 2.54 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 0.00 0.00 0.00 0.00