NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3926 8.1576 122.0486 56.4184 33.9330 174.0801 2 S 4.8446 8.4877 120.7439 56.5001 65.3189 172.7994 3 C 4.8869 9.8335 120.6744 55.7605 40.2337 173.8699 4 C 5.3408 9.2940 121.8651 55.3533 42.2638 175.4670 5 K 3.7502 8.7751 120.6161 58.5357 32.3027 177.7725 6 S 4.7727 7.5500 112.0211 55.7115 67.5364 174.8171 7 T 3.9131 8.3476 112.1693 64.6524 68.3030 176.2686 8 L 4.0257 7.9326 122.9497 58.1012 42.2343 179.1062 9 G 3.6191 7.9594 105.3644 47.5400 0.0000 175.7409 10 R 3.9379 8.0155 120.9898 59.5152 30.2038 178.4014 11 N 4.3511 8.4579 116.5505 56.2824 38.4783 176.4823 12 C 4.2202 8.4323 120.0205 59.8954 44.9433 175.0604 13 Y 3.9482 8.4995 121.2851 60.9051 38.2364 177.6522 14 N 4.3603 8.3332 116.1264 56.4202 38.9464 177.1381 15 L 4.1177 8.0151 120.3381 57.8190 41.7505 178.5337 16 C 4.1991 8.2480 118.4830 59.7209 43.3525 175.5334 17 R 3.9149 7.8955 118.6624 57.3612 29.5787 178.2622 18 A 4.1472 7.7331 120.8795 54.2847 18.4735 178.1355 19 R 4.4861 7.8745 112.0028 55.2771 32.6087 174.9578 20 G 4.0958 8.0016 106.5437 42.8526 0.0000 172.5608 21 A 4.3452 8.0612 120.8506 51.1559 20.5179 178.4260 22 Q 4.0001 8.6162 119.9181 59.5130 28.3206 179.8356 23 K 3.9415 8.0987 118.4646 59.6346 32.2039 179.0339 24 L 4.0436 7.8395 119.9176 58.2305 42.1622 179.4616 25 C 4.3071 8.3902 116.3912 59.6971 38.2845 175.8569 26 A 4.1787 8.6131 122.8603 55.3141 17.4961 179.2605 27 N 4.2919 7.8267 114.0517 56.8046 38.5013 177.9545 28 V 3.7728 7.6729 117.6182 65.2261 31.6282 176.3762 29 C 4.7479 8.0672 113.8549 55.3394 40.9687 173.6194 30 R 3.7537 7.5596 117.3174 57.8671 27.7091 174.7000 31 C 5.2439 8.6885 113.6446 55.3776 41.5714 174.4135 32 K 4.6013 8.7317 118.4875 54.6601 35.5710 175.6387 33 L 4.9793 8.3282 122.9552 53.5131 43.3125 175.7383 34 T 4.6578 8.9359 117.5386 60.4850 70.0051 174.0624 35 S 4.3560 8.7982 121.2399 59.8943 63.5613 175.2449 36 G 3.8240 7.7486 109.0791 45.2291 0.0000 173.7195 37 L 4.3087 8.2506 118.3605 55.4007 42.1566 177.0477 38 S 4.7662 7.5250 113.3369 56.8231 66.8855 173.7523 39 C 4.7872 8.4038 119.2222 54.7189 36.1669 172.3618 40 P 4.6200 0.0000 0.0000 62.1190 31.7288 177.4004 41 K 3.9456 8.6703 118.8597 59.9660 32.3351 177.4762 42 D 4.5421 8.0382 115.8348 53.8020 40.3800 176.3315 43 F 4.7121 7.8874 117.7406 55.9117 39.6040 172.7133 44 P 4.6425 0.0000 0.0000 62.7255 32.6503 176.9989 45 K 4.1772 8.6453 125.4078 56.7843 32.2276 175.8926 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 4.39 0.00 1.83 1.70 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.43 7.81 2 S 8.49 4.84 0.00 3.13 3.29 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 3 C 9.83 4.89 0.00 2.69 3.32 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 0.00 4 C 9.29 5.34 0.00 2.86 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 3.75 0.00 1.62 1.61 0.00 1.54 0.00 0.00 1.40 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.45 1.52 7.81 6 S 7.55 4.77 0.00 3.96 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.35 3.91 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 1.21 0.00 0.00 8 L 7.93 4.03 0.00 1.78 1.71 0.93 1.05 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 9 G 7.96 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.02 3.94 0.00 1.97 2.12 0.00 3.21 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 11 N 8.46 4.35 0.00 2.87 2.88 0.00 0.00 6.72 8.53 0.00 0.00 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 C 8.43 4.22 0.00 3.14 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.50 3.95 0.00 3.10 3.12 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 14 N 8.33 4.36 0.00 2.78 2.91 0.00 0.00 7.15 8.16 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 15 L 8.02 4.12 0.00 1.97 1.69 0.92 0.74 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 16 C 8.25 4.20 0.00 3.01 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.91 0.00 1.77 1.82 0.00 3.30 0.00 0.00 2.71 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.00 0.00 18 A 7.73 4.15 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 19 R 7.87 4.49 0.00 1.72 1.89 0.00 3.30 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 20 G 8.00 4.10 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 0.00 0.00 0.00 21 A 8.06 4.35 1.27 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 22 Q 8.62 4.00 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 23 K 8.10 3.94 0.00 1.81 1.89 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.52 7.81 24 L 7.84 4.04 0.00 1.75 1.64 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 25 C 8.39 4.31 0.00 2.95 2.74 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 26 A 8.61 4.18 1.45 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 0.00 0.00 0.00 27 N 7.83 4.29 0.00 3.05 2.91 0.00 0.00 6.73 7.56 0.00 0.00 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 V 7.67 3.77 2.10 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 0.85 0.00 0.00 0.94 0.00 0.00 29 C 8.07 4.75 0.00 3.26 3.34 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 30 R 7.56 3.75 0.00 2.03 2.07 0.00 3.16 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 31 C 8.69 5.24 0.00 2.74 2.99 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 0.00 0.00 0.00 32 K 8.73 4.60 0.00 0.79 1.20 0.00 0.61 0.00 0.00 1.20 0.00 0.00 2.70 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.96 0.49 7.81 33 L 8.33 4.98 0.00 1.47 1.54 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.94 4.66 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 35 S 8.80 4.36 0.00 3.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.75 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 37 L 8.25 4.31 0.00 1.64 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.52 4.77 0.00 3.79 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.40 4.79 0.00 2.97 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.62 0.00 2.65 2.23 0.00 3.51 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 41 K 8.67 3.95 0.00 1.89 2.01 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.47 7.81 42 D 8.04 4.54 0.00 2.65 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 7.89 4.71 0.00 3.00 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 44 P 0.00 4.64 0.00 2.17 2.15 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 45 K 8.65 4.18 0.00 1.84 1.72 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.47 7.81