NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 3.9291 8.3101 120.0235 56.1040 33.0960 176.9143 2 A 3.5240 5.8725 122.5817 52.4158 19.1282 179.3077 3 W 5.3654 7.2195 119.6429 55.3780 34.3850 173.3110 4 T 4.3270 8.6870 117.1346 65.0342 69.4181 173.5007 5 W 5.0767 9.0961 133.5947 55.5769 31.2133 173.8130 6 T 4.7834 7.8666 118.7386 58.5985 70.2350 173.0014 7 W 2.5400 7.8424 133.6752 56.5131 30.9469 175.2827 8 N 3.9936 6.6584 124.8036 50.4972 37.7570 172.6864 9 P 3.5273 0.0000 0.0000 63.7143 32.0437 178.0713 10 A 3.9822 7.5454 122.1165 54.6367 18.3150 178.0707 11 T 4.2559 7.4372 103.3037 61.6944 70.7348 174.9981 12 G 4.2703 7.8055 108.1450 44.7322 0.0000 173.2841 13 K 4.7509 7.2888 117.6683 54.1178 34.9771 175.3967 14 W 3.6813 9.4960 123.1774 57.3223 28.7228 175.2575 15 T 4.5147 7.3960 112.8993 58.8226 70.7544 174.3243 16 W 4.9901 8.5984 122.8848 57.3626 30.1318 175.6446 17 R 4.9905 9.5503 121.4701 54.2946 33.2653 174.5377 18 K 4.5009 8.4326 122.0597 54.3313 35.0906 176.1925 19 N 4.9400 8.2716 119.7527 52.3075 39.1371 174.4270 20 E 4.1218 7.5818 123.2301 56.5497 29.8772 174.1673 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 K 8.31 3.93 0.00 1.55 1.74 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.33 7.81 2 A 5.87 3.52 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.22 5.37 0.00 3.60 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.69 4.33 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 5 W 9.10 5.08 0.00 3.36 3.08 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 6 T 7.87 4.78 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 7 W 7.84 2.54 0.00 1.78 2.27 0.00 0.00 0.00 0.00 0.00 0.00 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 N 6.66 3.99 0.00 2.34 2.28 0.00 0.00 6.71 7.52 0.00 0.00 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 P 0.00 3.53 0.00 2.06 2.16 0.00 3.12 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 10 A 7.55 3.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.44 4.26 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 12 G 7.81 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.29 4.75 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.36 7.81 14 W 9.50 3.68 0.00 2.88 1.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.40 4.51 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 16 W 8.60 4.99 0.00 3.36 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.55 4.99 0.00 1.82 1.81 0.00 3.29 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 18 K 8.43 4.50 0.00 0.94 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.58 0.85 7.81 19 N 8.27 4.94 0.00 2.66 2.79 0.00 0.00 6.65 7.65 0.00 0.00 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 E 7.58 4.12 0.00 1.77 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.30 0.00