NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8276 8.1976 109.7371 42.8065 0.0000 174.3441 4 I 2.9651 8.6789 113.7354 60.8088 37.9504 172.9339 5 R 4.6586 8.6181 122.7424 54.6567 31.7545 177.1212 6 E 4.2238 8.4976 124.2810 55.8998 31.1630 176.9796 7 K 4.5644 8.5499 122.2850 56.1802 32.5470 176.6874 8 I 4.4596 8.7759 127.5235 60.1166 39.2393 175.3484 9 K 5.0707 8.4599 123.5623 55.2368 34.8696 175.4200 10 L 5.1055 8.5433 124.9934 53.2590 43.3961 176.0738 11 V 5.0102 8.8352 123.0740 61.0291 34.7686 174.5636 12 S 3.6812 8.1699 120.2549 57.7539 62.3947 174.5405 13 S 4.3135 8.3035 120.7850 60.4413 63.6421 174.6494 14 A 4.1404 8.0490 124.3577 51.7032 18.6349 178.2238 15 G 3.8000 8.4344 106.3721 46.7583 0.0000 173.9440 16 T 4.2923 7.4078 114.2755 61.0662 68.2230 174.7926 17 G 3.8878 8.3918 112.7158 46.0666 0.0000 173.7159 18 H 4.4807 8.0238 121.2525 57.1484 31.0138 173.7312 19 F 5.2262 7.5343 116.6053 56.8516 40.4542 171.6830 20 Y 4.5402 8.9773 117.3145 56.7912 41.4130 174.4990 21 T 4.7710 8.0801 112.4565 62.2734 70.3855 173.5863 22 T 4.4718 8.7735 120.6131 62.3805 72.7622 171.3039 23 T 5.3307 8.5443 109.4351 60.6230 72.4167 172.7820 24 K 4.4590 8.7844 121.2766 55.0726 36.2106 175.0175 25 N 4.9117 8.2410 124.0989 51.3917 37.8586 175.2516 26 K 3.7997 7.8934 123.1344 59.6169 32.9639 178.1697 27 R 4.0911 7.3902 117.3322 58.8053 29.9957 177.1771 28 T 4.6041 8.6500 104.1142 60.7969 70.6798 173.7584 29 K 5.5315 7.3369 119.5423 54.3918 32.4344 175.7740 30 P 4.5160 0.0000 0.0000 63.3346 31.4976 176.6329 31 E 4.4115 8.2703 118.9727 54.1987 29.8621 175.7055 32 K 4.0982 8.6415 122.6726 56.2156 32.8130 176.2349 33 L 4.6623 8.4281 125.6088 54.4775 43.7666 174.9322 34 E 5.7312 8.6765 121.1624 55.2467 32.4180 174.9027 35 L 4.3789 8.9158 117.8512 55.6015 44.3306 170.9663 36 K 4.8929 8.9295 127.3502 56.5448 32.2624 175.1062 37 K 4.5154 8.4994 120.8674 55.0819 36.2200 174.3367 38 F 4.6328 8.4862 121.8560 57.9448 39.9866 174.7182 39 D 4.8821 7.2551 126.0243 50.5505 40.8184 174.3213 40 P 3.9047 0.0000 0.0000 65.4061 31.6691 178.1460 41 V 3.6242 7.6798 115.7483 66.0629 31.2890 177.0785 42 V 3.7567 8.4737 116.5187 62.8682 31.6344 175.6649 43 R 3.7943 7.7336 117.2820 57.0825 27.8732 175.9519 44 Q 4.8881 7.2154 113.5646 54.7267 33.6791 174.2014 45 H 4.9542 9.1389 121.9396 56.4800 29.3866 175.1349 46 V 4.5779 8.7878 122.6385 60.3616 35.6008 173.7130 47 I 4.5207 8.2176 120.3486 61.1097 38.8627 174.6518 48 Y 5.0589 8.8242 123.8368 56.5024 40.7472 174.7069 49 K 5.2286 8.8220 126.5894 54.9076 36.2429 170.3322 50 E 3.8592 9.2205 127.3461 56.7789 29.2373 175.4699 51 A 4.3356 8.5447 128.3699 54.6905 20.4400 176.0684 52 K 4.3517 8.2098 125.6326 57.3382 32.2723 175.3306 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 G 8.20 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.68 2.97 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 1.42 0.65 0.91 0.00 0.00 5 R 8.62 4.66 0.00 1.69 1.93 0.00 3.33 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 6 E 8.50 4.22 0.00 1.97 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 2.33 2.34 0.00 7 K 8.55 4.56 0.00 1.66 1.81 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.48 7.81 8 I 8.78 4.46 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.96 0.00 0.00 9 K 8.46 5.07 0.00 1.83 1.92 0.00 1.64 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.37 7.81 10 L 8.54 5.11 0.00 1.87 1.89 1.03 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.84 5.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.97 0.00 0.00 12 S 8.17 3.68 0.00 3.58 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 13 S 8.30 4.31 0.00 3.87 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.05 4.14 1.19 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 0.00 0.00 15 G 8.43 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 16 T 7.41 4.29 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 17 G 8.39 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.02 4.48 0.00 3.24 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.53 5.23 0.00 3.46 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 20 Y 8.98 4.54 0.00 2.71 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 21 T 8.08 4.77 4.35 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 1.20 0.00 0.00 22 T 8.77 4.47 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 1.23 0.00 0.00 23 T 8.54 5.33 4.29 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 1.24 0.00 0.00 24 K 8.78 4.46 0.00 1.85 1.64 0.00 1.74 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.39 7.81 25 N 8.24 4.91 0.00 2.76 2.70 0.00 0.00 6.52 6.75 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 26 K 7.89 3.80 0.00 1.87 1.98 0.00 1.70 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.58 7.81 27 R 7.39 4.09 0.00 2.09 2.01 0.00 3.16 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 28 T 8.65 4.60 4.24 0.00 0.00 0.00 0.00 0.00 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 29 K 7.34 5.53 0.00 1.84 1.75 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.47 7.81 30 P 0.00 4.52 0.00 2.04 2.08 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.36 0.00 31 E 8.27 4.41 0.00 2.11 2.11 0.00 0.00 0.00 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 2.41 0.00 32 K 8.64 4.10 0.00 1.78 1.86 0.00 1.80 0.00 0.00 0.68 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.61 1.35 7.81 33 L 8.43 4.66 0.00 1.79 1.54 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.68 5.73 0.00 2.07 1.88 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 2.20 2.17 0.00 35 L 8.92 4.38 0.00 1.63 1.76 0.87 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.93 4.89 0.00 2.02 2.03 0.00 1.83 0.00 0.00 2.41 0.00 0.00 2.84 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.47 7.81 37 K 8.50 4.52 0.00 0.92 0.98 0.00 1.16 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 1.19 7.81 38 F 8.49 4.63 0.00 2.76 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.26 4.88 0.00 2.73 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 3.90 0.00 1.92 2.13 0.00 2.88 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.17 0.00 41 V 7.68 3.62 2.21 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 0.72 0.00 0.00 0.92 0.00 0.00 42 V 8.47 3.76 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 0.78 0.00 0.00 0.92 0.00 0.00 43 R 7.73 3.79 0.00 1.98 2.12 0.00 3.38 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.60 0.00 44 Q 7.22 4.89 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.43 7.09 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 45 H 9.14 4.95 0.00 3.17 3.40 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.79 4.58 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.88 0.00 0.00 47 I 8.22 4.52 1.85 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 1.36 0.70 0.94 0.00 0.00 48 Y 8.82 5.06 0.00 2.91 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.82 5.23 0.00 1.82 1.69 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.26 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.25 7.81 50 E 9.22 3.86 0.00 2.28 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 51 A 8.54 4.34 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 52 K 8.21 4.35 0.00 1.85 1.91 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81