NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4619 8.1693 120.5639 54.2490 44.0414 176.7526 2 T 4.5979 7.0892 109.3985 58.4383 72.5570 173.8455 3 F 4.3471 9.6291 125.6467 61.8304 39.8861 178.3582 4 E 3.9009 8.4183 117.6017 59.6916 29.0209 178.6684 5 H 3.9643 7.8822 116.9472 59.5368 30.2993 176.6532 6 Y 4.2505 7.3171 118.0185 60.7919 37.7416 178.2285 7 W 3.8797 8.3497 129.5093 60.3660 30.5969 177.8259 8 A 4.0185 8.2262 120.6277 55.1444 17.4973 179.5287 9 Q 3.9160 7.5937 115.2055 58.5940 28.7812 178.3066 10 L 3.9831 7.5178 119.1940 55.5567 41.8972 176.9395 11 T 4.6155 6.7060 108.4770 59.2983 71.6544 174.1044 12 S 4.2623 8.5130 116.3389 58.7254 63.3108 173.9692 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 L 8.17 4.46 0.00 1.59 1.82 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 2 T 7.09 4.60 4.45 0.00 0.00 0.00 0.00 0.00 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 3 F 9.63 4.35 0.00 3.26 3.19 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 4 E 8.42 3.90 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 5 H 7.88 3.96 0.00 2.96 3.16 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 7.32 4.25 0.00 3.21 2.92 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 7 W 8.35 3.88 0.00 2.38 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.23 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.59 3.92 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.92 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 10 L 7.52 3.98 0.00 1.06 1.32 -0.04 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 11 T 6.71 4.62 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 1.10 0.00 0.00 12 S 8.51 4.26 0.00 3.97 3.85 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