NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.4783 8.3449 120.8372 55.3947 34.8294 178.2041 2 S 3.0400 7.9399 119.1666 57.2709 61.9936 170.3888 3 V 3.2136 9.2742 117.6562 64.2384 29.8291 170.1261 4 P 4.3458 0.0000 0.0000 62.3633 32.1409 176.2734 5 I 4.5608 8.1529 122.8904 59.6456 40.3260 174.8356 6 Q 4.6634 8.2825 121.2346 54.5960 31.2877 173.2503 7 C 4.9518 8.2216 113.4055 57.5489 32.2020 173.7308 8 T 4.4559 7.9449 113.4028 61.3032 67.3364 171.8623 9 D 4.4954 7.4406 120.1550 53.6396 44.3283 174.7075 10 K 4.3736 8.6748 123.6273 56.8439 35.4389 175.1164 11 T 4.0643 8.3656 121.9887 64.2868 68.3443 173.6140 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 C 8.34 4.48 0.00 2.95 2.89 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 S 7.94 3.04 0.00 4.11 3.48 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 V 9.27 3.21 2.08 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 0.76 0.00 0.00 0.99 0.00 0.00 4 P 0.00 4.35 0.00 2.08 1.98 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 5 I 8.15 4.56 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.91 0.00 0.00 6 Q 8.28 4.66 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 7 C 8.22 4.95 0.00 3.05 2.94 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 8 T 7.94 4.46 4.24 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 1.21 0.00 0.00 9 D 7.44 4.50 0.00 2.59 2.50 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 K 8.67 4.37 0.00 1.72 1.73 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 1.34 7.81 11 T 8.37 4.06 4.24 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 1.21 0.00 0.00