NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2834 8.3301 116.7955 58.1718 65.0599 174.0227 2 A 3.9338 8.5572 119.4561 51.1183 18.0046 170.5240 3 V 4.2984 8.6924 123.5141 63.0863 38.4658 171.4402 4 L 4.6708 7.7654 118.4189 52.4009 43.6219 175.8245 5 Q 4.0327 8.6137 125.1134 55.8973 29.3446 175.9512 6 K 4.4141 8.4734 124.8876 55.6807 33.5861 175.9371 7 K 4.7488 8.3890 118.6780 54.3777 34.9666 177.8983 8 I 3.5611 8.4146 122.4451 64.6624 37.1276 178.0614 9 T 4.3856 7.6579 107.3705 62.5646 69.0793 174.7629 10 D 4.5705 7.9308 121.4777 55.0472 41.0365 176.3528 11 Y 4.5810 7.6024 114.3680 58.2666 41.4515 175.4696 12 F 5.2255 8.3596 118.5122 55.9565 41.1199 174.4164 13 H 5.2555 8.4909 120.8825 52.9355 32.3428 171.7081 14 P 4.3786 0.0000 0.0000 62.9838 31.5781 176.8151 15 K 4.2079 8.5091 121.5652 57.4564 32.7534 176.6085 16 K 4.0650 7.7514 123.7757 57.6180 31.9177 174.5161 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 4.28 0.00 3.88 3.99 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 A 8.56 3.93 1.41 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 V 8.69 4.30 2.08 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 0.75 0.00 0.00 0.93 0.00 0.00 4 L 7.77 4.67 0.00 1.62 1.54 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.61 4.03 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 6 K 8.47 4.41 0.00 1.94 1.86 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.47 1.50 7.81 7 K 8.39 4.75 0.00 1.93 1.66 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.36 7.81 8 I 8.41 3.56 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.97 0.96 0.00 0.00 9 T 7.66 4.39 4.26 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 1.25 0.00 0.00 10 D 7.93 4.57 0.00 2.05 2.19 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 11 Y 7.60 4.58 0.00 2.11 2.68 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 F 8.36 5.23 0.00 3.03 2.84 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 13 H 8.49 5.26 0.00 3.14 3.16 0.00 5.73 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 14 P 0.00 4.38 0.00 2.06 2.02 0.00 3.73 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 2.06 2.12 0.00 15 K 8.51 4.21 0.00 1.72 1.82 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.41 7.81 16 K 7.75 4.07 0.00 1.69 1.59 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.46 7.81