NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6354 8.4393 115.4464 55.9345 42.8982 172.3116 2 T 4.2105 8.0838 107.5484 61.0096 70.5462 173.5079 3 T 4.4283 6.9434 116.4766 59.5109 71.1344 175.3989 4 S 4.3674 8.7484 112.2359 61.2551 63.2354 175.9070 5 K 2.0000 7.3571 117.6738 56.8182 32.5627 176.6373 6 E 4.3029 7.6167 119.0833 56.4582 29.9701 176.2104 7 C 4.8657 7.6365 113.7553 57.3756 40.6265 174.3853 8 W 4.6596 8.0268 120.3669 57.6647 29.9503 176.4890 9 S 4.8111 7.8902 111.4496 56.1928 61.6933 172.1648 10 V 4.3922 7.6686 122.5320 62.2461 35.2058 178.3572 11 C 4.7861 8.1642 115.8004 56.2795 40.4498 174.8435 12 Q 4.1326 8.0355 121.6484 57.5444 29.2893 176.5456 13 R 4.4049 7.8384 115.9533 55.8805 30.7765 175.6399 14 L 4.5543 7.1182 119.4010 56.5649 44.8981 176.2324 15 H 5.0626 7.0302 110.8058 55.7016 27.8818 176.5661 16 N 4.9592 8.7317 122.9099 53.4536 39.2912 173.3320 17 T 4.9429 7.8367 110.8087 59.9736 73.2263 172.0875 18 S 4.4428 8.6038 116.6027 59.2608 63.9587 177.7855 19 K 4.2076 9.1248 124.2415 56.0021 35.0412 173.9395 20 G 4.4433 8.6493 107.2432 46.4140 0.0000 172.1871 21 W 5.5112 7.3501 115.2362 55.3540 31.8871 173.9854 22 C 5.1366 8.9574 120.9907 55.2658 43.4285 172.8918 23 D 4.8196 8.4983 125.6713 53.2190 42.9206 176.1884 24 H 4.8760 8.5465 114.8338 56.0593 28.4556 176.4274 25 R 4.4956 9.2901 116.1918 55.4350 31.5969 176.5081 26 G 3.6936 6.5499 104.6638 45.1453 0.0000 170.3867 27 C 4.8319 8.1514 118.3684 56.1006 36.4856 173.7912 28 I 4.0272 8.1383 124.3368 60.8486 38.3212 174.3400 29 C 5.0859 8.4418 122.8520 55.3628 40.4924 173.1131 30 E 4.7745 8.7917 123.6291 54.3533 32.5358 176.9796 31 S 4.2953 8.4757 117.1473 58.9346 63.0871 174.3215 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 C 8.44 4.64 0.00 3.18 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 4.21 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 1.17 0.00 0.00 3 T 6.94 4.43 4.19 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 1.18 0.00 0.00 4 S 8.75 4.37 0.00 4.31 4.33 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 5 K 7.36 2.00 0.00 0.79 0.86 0.00 1.27 0.00 0.00 1.38 0.00 0.00 2.79 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.04 1.04 7.81 6 E 7.62 4.30 0.00 1.78 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 7 C 7.64 4.87 0.00 3.15 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.03 4.66 0.00 3.38 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.81 0.00 3.86 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.67 4.39 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.92 0.00 0.00 11 C 8.16 4.79 0.00 2.98 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.04 4.13 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.67 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.56 0.00 13 R 7.84 4.40 0.00 1.81 1.94 0.00 3.38 0.00 0.00 3.17 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 14 L 7.12 4.55 0.00 1.71 1.36 0.85 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 H 7.03 5.06 0.00 3.30 2.41 0.00 5.72 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.73 4.96 0.00 2.65 2.76 0.00 0.00 6.61 7.55 0.00 0.00 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 7.84 4.94 4.41 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 1.20 0.00 0.00 18 S 8.60 4.44 0.00 3.83 3.30 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 0.00 19 K 9.12 4.21 0.00 1.69 1.64 0.00 1.49 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 0.41 7.81 20 G 8.65 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 W 7.35 5.51 0.00 3.41 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.96 5.14 0.00 3.13 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.50 4.82 0.00 2.78 2.61 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 0.00 0.00 0.00 24 H 8.55 4.88 0.00 3.18 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.29 4.50 0.00 1.87 2.03 0.00 3.12 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 26 G 6.55 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.15 4.83 0.00 2.83 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.14 4.03 0.80 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.13 0.11 0.00 0.00 29 C 8.44 5.09 0.00 2.72 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.79 4.77 0.00 1.82 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.41 0.00 31 S 8.48 4.30 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00