NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2969 8.3349 115.3939 57.9774 64.3869 172.1767 2 W 4.5098 8.1868 119.4526 55.1320 30.5210 174.2683 3 Y 4.9850 8.6202 118.1406 56.3447 42.3969 174.3488 4 S 4.7753 8.8475 115.8605 56.7331 65.0112 173.2587 5 Y 4.8904 8.4379 128.0240 54.6983 38.9333 172.2870 6 P 4.3643 0.0000 0.0000 61.3217 32.1060 175.0947 7 P 4.3820 0.0000 0.0000 61.1503 32.2945 174.0889 8 P 4.3003 0.0000 0.0000 62.7080 31.5679 176.7306 9 Q 4.3045 8.4008 120.4610 56.1241 29.5111 176.7605 10 R 4.2065 8.1186 117.0053 56.6734 31.1954 175.5112 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 4.30 0.00 3.85 3.92 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 W 8.19 4.51 0.00 3.24 3.13 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 Y 8.62 4.98 0.00 2.95 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 4 S 8.85 4.78 0.00 3.88 3.81 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 Y 8.44 4.89 0.00 2.89 2.77 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 0.00 6 P 0.00 4.36 0.00 2.16 2.02 0.00 3.99 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 7 P 0.00 4.38 0.00 2.11 1.97 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 8 P 0.00 4.30 0.00 2.05 2.04 0.00 3.62 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.10 0.00 9 Q 8.40 4.30 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 10 R 8.12 4.21 0.00 1.73 1.75 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00