NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3410 8.1576 120.1339 56.0895 33.7371 176.6393 2 I 3.5484 8.2023 116.7969 63.6343 37.4958 176.9807 3 A 3.9545 8.3734 123.8788 54.4952 18.7355 180.1174 4 A 3.9331 7.6017 119.7858 55.7065 18.4014 179.9034 5 L 3.9137 7.7720 116.1940 57.8062 41.6898 179.3756 6 K 3.9166 8.0334 118.4488 59.5676 32.2389 178.3435 7 E 4.1253 8.3598 119.0439 59.1095 29.5107 178.9108 8 K 3.8878 7.7899 118.4869 59.6984 32.1798 179.4219 9 I 3.6913 8.2200 113.2095 63.9649 36.8413 178.0140 10 A 4.1001 7.9655 122.0069 54.3914 18.0123 179.5310 11 A 3.9820 8.0266 119.7951 55.3521 18.6950 179.8990 12 L 3.9473 7.8293 116.9299 57.6143 41.7544 179.5173 13 K 3.9464 8.5159 120.3585 59.3678 32.1101 178.6393 14 E 4.1188 7.8541 118.0845 58.6345 29.4758 179.2741 15 K 3.9383 8.2952 119.3822 59.5106 32.2326 179.4321 16 I 3.7304 8.0934 113.4359 64.0128 37.1919 178.0255 17 A 4.1592 7.7425 120.9700 54.6481 18.4850 179.3058 18 A 4.0494 7.8725 119.5952 55.4456 18.3927 179.7742 19 L 3.9698 7.7830 116.2496 57.6706 41.7258 179.6103 20 K 4.0156 8.2353 118.2607 59.1459 32.1874 176.9774 21 E 4.3541 7.8166 121.5596 56.2563 29.7935 175.1005 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 8.16 4.34 0.00 1.88 1.79 0.00 1.52 0.00 0.00 1.81 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.50 7.81 2 I 8.20 3.55 1.87 0.00 0.00 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 1.57 0.44 0.91 0.00 0.00 3 A 8.37 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.60 3.93 1.34 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 5 L 7.77 3.91 0.00 1.67 1.72 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.03 3.92 0.00 1.93 1.97 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 7 E 8.36 4.13 0.00 2.36 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 8 K 7.79 3.89 0.00 1.94 1.87 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.46 7.81 9 I 8.22 3.69 1.87 0.00 0.00 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 1.56 1.23 0.96 0.00 0.00 10 A 7.97 4.10 1.48 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 0.00 0.00 11 A 8.03 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.83 3.95 0.00 1.70 1.73 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.52 3.95 0.00 1.91 1.93 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 14 E 7.85 4.12 0.00 2.29 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 15 K 8.30 3.94 0.00 1.99 1.85 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 16 I 8.09 3.73 1.87 0.00 0.00 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 1.50 1.03 0.91 0.00 0.00 17 A 7.74 4.16 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 18 A 7.87 4.05 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 19 L 7.78 3.97 0.00 1.64 1.76 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.24 4.02 0.00 1.84 1.89 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.65 7.81 21 E 7.82 4.35 0.00 1.96 1.79 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 2.23 2.28 0.00