NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2271 8.2431 120.8597 55.9558 31.3586 173.7897 2 G 3.7769 8.1492 107.4386 42.1963 0.0000 170.7531 3 P 4.3567 0.0000 0.0000 62.3132 32.9627 174.4588 4 A 4.2881 8.2528 123.6653 50.7863 19.2901 175.7278 5 P 4.4131 0.0000 0.0000 61.9259 31.9345 174.6056 6 P 4.5254 0.0000 0.0000 61.2563 32.2478 174.1163 7 P 4.3437 0.0000 0.0000 61.7757 31.6538 174.7444 8 P 4.3334 0.0000 0.0000 61.7826 31.8629 174.3769 9 P 4.4489 0.0000 0.0000 62.3240 32.1371 175.9132 10 H 4.3571 8.2771 116.2687 55.8618 29.2487 176.0651 11 R 4.1151 8.5353 120.4166 56.6951 29.8589 176.6899 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 R 8.24 4.23 0.00 1.79 1.94 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 2 G 8.15 3.78 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 0.00 3 P 0.00 4.36 0.00 2.19 2.06 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 4 A 8.25 4.29 1.25 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 P 0.00 4.41 0.00 2.18 2.07 0.00 3.76 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 1.98 1.95 0.00 6 P 0.00 4.53 0.00 2.19 2.09 0.00 3.76 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 1.98 1.94 0.00 7 P 0.00 4.34 0.00 2.17 2.10 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 8 P 0.00 4.33 0.00 2.05 2.03 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 9 P 0.00 4.45 0.00 2.16 2.03 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 10 H 8.28 4.36 0.00 3.18 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.54 4.12 0.00 1.81 1.86 0.00 3.24 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00