NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 5.1574 8.3998 110.3365 61.9380 69.3305 171.6579 4 R 4.3190 8.4214 123.3213 56.1031 31.6442 174.7430 5 K 4.1870 8.2214 117.6051 56.3950 35.9036 176.4513 6 S 4.6854 7.8120 115.5967 57.7032 65.0879 171.7208 7 I 5.2960 7.9371 122.2561 58.9951 38.6152 175.7162 8 H 4.8667 8.7208 124.4200 53.9316 27.9004 172.5493 9 I 4.3452 7.0718 119.6222 60.3285 39.3405 174.0637 10 G 3.7952 8.7720 111.4324 45.4044 0.0000 172.5300 11 P 4.1597 0.0000 0.0000 64.0712 32.3323 177.4285 12 G 4.1783 7.4796 104.6884 45.3607 0.0000 174.2978 13 R 4.3856 7.9421 118.0671 56.1360 32.4041 175.9792 14 A 4.5551 7.7942 121.0670 51.2515 17.6121 174.7093 15 F 4.8496 8.4428 124.9990 57.7694 38.4027 172.5553 16 Y 4.4948 8.4925 118.9567 56.8041 39.2315 174.5564 17 T 4.6247 8.6821 116.4444 60.1505 69.8774 173.2454 18 T 4.6523 8.1237 117.7292 59.2916 71.6061 174.0436 19 G 3.8189 8.7855 112.4161 45.9163 0.0000 173.8242 20 E 4.5701 8.3769 125.2785 55.5408 29.3126 176.6298 21 I 4.0183 7.4325 123.4008 61.6037 37.3366 176.5463 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 3 T 8.40 5.16 4.25 0.00 0.00 0.00 0.00 0.00 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 4 R 8.42 4.32 0.00 1.87 2.02 0.00 3.34 0.00 0.00 3.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.69 0.00 5 K 8.22 4.19 0.00 1.75 1.87 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.24 1.25 7.81 6 S 7.81 4.69 0.00 3.90 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.94 5.30 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.87 0.00 0.00 8 H 8.72 4.87 0.00 2.89 3.09 0.00 5.70 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.07 4.35 1.68 0.00 0.00 0.07 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 1.39 0.75 0.00 0.00 10 G 8.77 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.16 0.00 2.04 2.13 0.00 3.62 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 12 G 7.48 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 0.00 0.00 0.00 0.00 13 R 7.94 4.39 0.00 1.81 2.00 0.00 3.22 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 14 A 7.79 4.56 1.29 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 0.00 0.00 0.00 15 F 8.44 4.85 0.00 3.15 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.49 4.49 0.00 2.99 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.68 4.62 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 18 T 8.12 4.65 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 1.27 0.00 0.00 19 G 8.79 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.57 0.00 2.01 1.99 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 2.39 2.32 0.00 21 I 7.43 4.02 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.91 0.00 0.00