NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.1731 8.1593 117.3670 63.1953 70.0291 174.1717 2 S 4.2677 8.2427 121.4841 56.8521 65.2221 173.9443 3 F 4.2083 9.4776 127.4315 61.8865 39.3647 178.6380 4 A 4.0714 8.2752 119.4547 55.2377 18.1216 179.0363 5 E 3.7812 8.4291 117.8671 59.6143 29.8706 178.2146 6 Y 4.2720 7.4557 116.7284 61.2491 38.0108 178.7862 7 W 3.9959 8.7540 129.4276 60.4976 30.4571 177.8417 8 A 4.0050 8.0561 119.9584 54.9246 17.8434 179.2550 9 L 4.0138 7.8746 117.2071 57.7996 41.7047 179.1494 10 L 3.9188 7.2787 119.2506 57.0702 42.2364 177.6744 11 S 4.1712 6.9515 113.3103 57.1186 63.6079 172.4619 12 P 4.3627 0.0000 0.0000 62.9996 31.0350 176.6725 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 T 8.16 4.17 3.77 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 0.12 0.00 0.00 2 S 8.24 4.27 0.00 4.20 4.00 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 F 9.48 4.21 0.00 3.28 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 4 A 8.28 4.07 1.41 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 5 E 8.43 3.78 0.00 1.93 1.85 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 2.10 2.25 0.00 6 Y 7.46 4.27 0.00 3.16 2.85 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 W 8.75 4.00 0.00 2.58 2.98 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 A 8.06 4.00 1.35 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 0.00 0.00 9 L 7.87 4.01 0.00 1.88 1.73 0.92 0.90 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 10 L 7.28 3.92 0.00 1.38 1.31 0.69 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 11 S 6.95 4.17 0.00 3.78 3.66 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 12 P 0.00 4.36 0.00 2.01 1.93 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00