NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2473 8.2649 123.5714 50.8269 19.9487 176.4098 2 P 3.9315 0.0000 0.0000 62.2694 31.6179 175.8227 3 S 4.1731 8.0579 117.8114 61.1444 64.0791 174.3589 4 Y 4.4798 6.9946 117.2329 55.9614 38.8309 174.9411 5 S 4.3690 8.4503 115.2605 57.2523 63.1689 172.0177 6 P 4.7006 0.0000 0.0000 61.3255 32.1574 174.2215 7 P 4.4322 0.0000 0.0000 61.7994 31.9123 174.5576 8 P 4.5318 0.0000 0.0000 61.4535 32.1996 174.1822 9 P 4.3384 0.0000 0.0000 62.1147 31.7833 174.9673 10 P 4.4202 0.0000 0.0000 63.1535 31.2817 176.1863 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 A 8.26 4.25 1.20 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 2 P 0.00 3.93 0.00 1.33 0.74 0.00 3.50 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.95 0.00 3 S 8.06 4.17 0.00 3.88 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 4 Y 6.99 4.48 0.00 3.03 2.96 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 S 8.45 4.37 0.00 3.90 3.87 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 4.70 0.00 2.25 2.06 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 7 P 0.00 4.43 0.00 2.21 2.11 0.00 3.82 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 8 P 0.00 4.53 0.00 2.21 2.11 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 9 P 0.00 4.34 0.00 2.06 2.05 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 10 P 0.00 4.42 0.00 2.18 2.04 0.00 3.80 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 1.99 1.96 0.00