NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7902 8.3549 109.7422 45.9959 0.0000 171.8071 2 I 3.2083 8.6045 124.1186 61.0861 33.4004 172.8355 3 G 4.2780 7.9337 112.9086 45.2908 0.0000 171.2810 4 K 4.3812 7.6674 118.2453 58.0994 37.2885 177.7567 5 Y 3.9288 6.9421 116.2194 59.4669 37.9663 176.8505 6 L 4.6153 7.5947 117.1185 54.7285 43.3662 176.3555 7 H 4.8915 7.6514 112.2983 54.8935 30.6902 173.8470 8 S 3.9917 7.5737 111.6386 58.2373 64.3683 175.3959 9 A 4.0725 8.9612 123.5820 54.3465 18.0195 179.2791 10 K 3.9082 7.3469 115.6521 60.6856 32.8075 178.3363 11 K 3.8415 7.9964 119.2303 59.5953 31.4571 179.0079 12 F 4.8021 7.4924 116.3676 60.5741 38.7429 177.8298 13 G 4.5040 9.6760 104.8213 48.0577 0.0000 175.0387 14 K 4.1717 7.9670 117.5045 56.9249 32.8036 177.9707 15 A 4.4844 7.6682 120.4508 53.4423 20.2484 178.5296 16 W 4.3348 9.3679 116.2778 59.7974 27.9649 178.7584 17 V 2.0000 5.8301 119.4148 63.7710 30.4507 178.3744 18 G 3.7257 7.6674 104.8263 46.9189 0.0000 174.3412 19 E 4.2643 7.7739 120.6684 58.9244 29.7855 178.8351 20 I 4.4610 8.7421 120.8705 64.4384 37.3811 178.4103 21 M 4.0387 8.3615 117.6726 57.8951 31.9366 176.7391 22 N 4.6670 7.4399 115.0795 54.0657 40.3733 174.3494 23 S 4.2832 8.7820 120.0002 58.2401 62.7899 173.1119 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 G 8.35 3.79 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 8.60 3.21 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.46 0.98 0.00 0.00 3 G 7.93 4.28 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 4 K 7.67 4.38 0.00 1.39 1.70 0.00 1.05 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.86 0.21 7.81 5 Y 6.94 3.93 0.00 3.07 3.02 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 L 7.59 4.62 0.00 1.28 1.50 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 7 H 7.65 4.89 0.00 3.04 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.57 3.99 0.00 3.65 3.59 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 9 A 8.96 4.07 1.38 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 10 K 7.35 3.91 0.00 2.03 2.00 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.43 7.81 11 K 8.00 3.84 0.00 1.36 1.58 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.47 7.81 12 F 7.49 4.80 0.00 3.32 3.22 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 G 9.68 4.50 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 0.00 0.00 0.00 14 K 7.97 4.17 0.00 1.76 1.84 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.59 7.81 15 A 7.67 4.48 1.42 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 0.00 0.00 0.00 16 W 9.37 4.33 0.00 3.61 3.58 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 17 V 5.83 2.00 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 0.00 0.00 0.46 0.00 0.00 0.13 0.00 0.00 18 G 7.67 3.73 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 19 E 7.77 4.26 0.00 2.32 2.00 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 2.44 2.59 0.00 20 I 8.74 4.46 2.70 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.90 1.21 0.00 0.00 21 M 8.36 4.04 0.00 1.75 1.73 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 22 N 7.44 4.67 0.00 2.81 2.86 0.00 0.00 6.88 7.50 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 23 S 8.78 4.28 0.00 3.81 3.72 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