NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 R 4.3651 8.2431 119.7143 56.1300 30.5562 174.1685 1 G 4.0802 8.0432 109.1556 41.8373 0.0000 169.9128 2 I 3.4469 8.2141 123.5629 63.5101 38.4865 176.9246 3 V 3.4958 7.5662 118.7741 66.0168 31.5632 177.5373 4 E 4.0530 8.0621 118.5514 59.1906 29.3367 178.6632 5 Q 4.0449 8.0982 117.5131 58.5702 28.9980 176.4408 6 C 4.8900 8.2951 114.1176 56.7910 42.6261 174.3084 7 C 4.4305 8.0657 118.0205 61.2580 32.4799 174.8537 8 T 4.0566 8.4286 115.3343 66.2504 68.3715 174.7610 9 S 4.8065 7.4546 115.5472 56.9948 65.2444 172.8114 10 I 4.5710 8.1062 120.6673 60.3907 39.7181 175.5725 11 C 4.8227 8.6471 122.1472 55.3707 38.2635 173.9597 12 S 4.6000 8.2775 118.3066 56.9346 64.5412 174.6992 13 L 3.9967 8.5419 120.8026 58.5831 40.6295 178.2707 14 Y 3.9106 8.3835 116.2950 60.7781 37.6758 177.7600 15 Q 4.6472 7.8360 119.2924 57.1458 29.1700 177.3198 16 L 4.5283 7.9498 120.4783 56.9526 42.5511 177.8225 17 E 4.1355 8.0277 118.1940 58.5946 29.2747 178.4548 18 N 4.3718 7.7316 117.1862 55.3303 38.1634 175.6973 19 Y 4.6377 7.2590 116.2739 57.7766 38.2577 175.4795 20 C 4.5396 7.4906 117.6650 58.9029 29.3750 173.6152 21 N 4.5405 8.5314 117.7077 53.7692 38.2342 175.4079 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 0 R 8.24 4.37 0.00 1.86 2.21 0.00 3.33 0.00 0.00 3.26 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 1 G 8.04 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.21 3.45 0.56 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.66 0.62 0.00 0.00 3 V 7.57 3.50 2.05 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 0.86 0.00 0.00 0.87 0.00 0.00 4 E 8.06 4.05 0.00 2.08 1.94 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 2.38 2.40 0.00 5 Q 8.10 4.04 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.53 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 6 C 8.30 4.89 0.00 2.94 3.09 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 C 8.07 4.43 0.00 2.88 3.14 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 8.43 4.06 4.42 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 S 7.45 4.81 0.00 4.17 3.84 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 I 8.11 4.57 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.93 0.00 0.00 11 C 8.65 4.82 0.00 2.99 3.06 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 S 8.28 4.60 0.00 4.10 4.06 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 13 L 8.54 4.00 0.00 1.83 1.83 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.38 3.91 0.00 3.03 3.09 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 15 Q 7.84 4.65 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.30 0.00 16 L 7.95 4.53 0.00 1.85 1.88 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.03 4.14 0.00 2.10 1.92 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 2.27 2.51 0.00 18 N 7.73 4.37 0.00 2.54 2.42 0.00 0.00 6.73 7.36 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 19 Y 7.26 4.64 0.00 2.92 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 20 C 7.49 4.54 0.00 3.10 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 21 N 8.53 4.54 0.00 2.72 2.73 0.00 0.00 6.79 7.56 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