NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8538 8.3393 109.7373 41.7044 0.0000 175.2736 4 I 3.3017 8.6250 118.3420 61.5365 38.5204 173.9962 5 R 4.1957 8.4066 121.8755 55.6197 28.7131 176.9073 6 E 4.1894 8.2981 121.6063 56.4991 30.9389 176.4373 7 K 4.6862 8.5060 121.0087 56.5482 33.6359 176.3330 8 I 4.8990 9.5580 122.9183 59.7457 42.1017 174.0868 9 K 5.1744 8.1545 122.0477 55.2462 34.9171 175.5936 10 L 4.9275 9.5994 125.1895 53.3515 42.9873 175.9749 11 V 4.1562 8.2375 124.7280 62.0203 33.1573 175.2245 12 S 2.7900 7.8735 121.6469 57.5572 62.2221 174.4040 13 S 4.2559 8.3272 121.8350 61.2201 62.9930 175.1931 14 A 4.1436 7.9363 122.6072 51.3582 18.7956 178.1049 15 G 3.8389 8.7193 109.4357 48.6016 0.0000 174.2228 16 T 3.8815 7.1499 112.3245 62.6022 67.6278 173.8009 17 G 3.8336 8.4415 113.8341 46.5153 0.0000 173.6901 18 H 4.4492 7.9176 120.9219 57.0097 30.8312 173.9322 19 F 5.4129 8.1792 117.7103 56.0254 41.2903 172.6223 20 Y 4.5115 10.0379 117.8848 56.5139 41.2579 174.7426 21 T 5.1223 8.1238 114.3109 61.2341 70.6521 172.6524 22 T 4.4845 8.8876 121.7467 62.2019 71.8765 170.6480 23 T 5.3821 7.9544 111.8195 60.1807 72.0287 172.8787 24 K 4.1220 8.1015 119.0891 55.9874 35.1873 174.6281 25 N 4.5687 8.1377 123.4412 52.2558 37.6143 174.8752 26 K 3.8652 8.6751 126.6539 59.2987 32.4565 177.6653 27 R 3.9544 7.9208 117.1012 57.1374 29.5965 178.4037 28 T 3.7323 7.9234 112.5769 64.6533 69.9113 175.1290 29 K 4.3556 7.4698 129.3239 53.2773 31.8272 175.1990 30 P 4.3629 0.0000 0.0000 65.2565 31.5686 177.4980 31 E 4.0461 8.0787 114.8649 56.4284 29.7103 176.4559 32 K 4.7367 8.2228 119.0484 54.9744 34.0092 176.3735 33 L 4.1640 8.3567 124.0998 55.0769 42.6875 175.9478 34 E 5.3562 8.5356 123.8747 53.9003 33.0037 175.4479 35 L 4.3047 8.8846 120.9562 55.1335 41.0533 174.5399 36 K 4.5714 8.3919 120.7146 55.7711 31.8871 174.9603 37 K 3.9994 7.3196 114.0382 57.0303 37.0809 173.2637 38 F 4.9940 8.6440 123.2948 57.2795 41.0104 174.5763 39 D 4.0989 8.2975 128.5452 50.9238 40.6492 175.2318 40 P 3.6673 0.0000 0.0000 65.5254 30.8423 177.9175 41 V 3.3578 7.0846 107.5000 65.8130 31.7860 177.3647 42 V 3.6172 7.8139 120.1708 64.0670 31.8646 177.7780 43 R 4.3901 7.9039 116.2205 57.3971 28.2613 175.4984 44 Q 4.9406 7.7515 113.7015 54.2541 32.7516 174.9850 45 H 4.9200 9.1850 118.7538 56.6616 29.7166 174.9066 46 V 4.4221 9.0659 118.6493 60.9246 35.0667 172.0915 47 I 4.3475 8.2389 122.2464 62.1902 38.7195 174.7851 48 Y 4.8684 8.6643 121.2727 56.6291 41.5299 174.6775 49 K 4.7897 8.3298 127.3376 55.3660 35.8361 170.2630 50 E 3.8381 9.3091 128.5759 56.4040 29.7433 175.1199 51 A 4.4375 8.5254 128.8299 52.8687 20.1712 176.0294 52 K 4.1921 8.3230 125.6368 57.4747 32.3939 175.4863 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 8.34 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 3.30 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 1.42 0.40 0.91 0.00 0.00 5 R 8.41 4.20 0.00 1.83 1.97 0.00 3.36 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 6 E 8.30 4.19 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 7 K 8.51 4.69 0.00 1.67 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.49 7.81 8 I 9.56 4.90 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.83 0.98 0.00 0.00 9 K 8.15 5.17 0.00 2.07 1.96 0.00 1.63 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.50 7.81 10 L 9.60 4.93 0.00 1.94 2.19 1.02 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.24 4.16 2.06 0.00 0.00 0.00 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 12 S 7.87 2.79 0.00 3.71 3.56 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 0.00 0.00 0.00 0.00 13 S 8.33 4.26 0.00 3.89 3.98 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 14 A 7.94 4.14 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.72 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.15 3.88 4.23 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 1.33 0.00 0.00 17 G 8.44 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 18 H 7.92 4.45 0.00 3.25 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.18 5.41 0.00 3.30 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 20 Y 10.04 4.51 0.00 2.91 2.80 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 21 T 8.12 5.12 4.30 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 1.16 0.00 0.00 22 T 8.89 4.48 4.26 0.00 0.00 0.00 0.00 0.00 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 23 T 7.95 5.38 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 1.23 0.00 0.00 24 K 8.10 4.12 0.00 1.71 1.68 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.24 1.39 7.81 25 N 8.14 4.57 0.00 2.77 2.72 0.00 0.00 6.64 6.67 0.00 0.00 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 8.68 3.87 0.00 1.77 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.56 7.81 27 R 7.92 3.95 0.00 2.11 1.76 0.00 3.26 0.00 0.00 3.28 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 28 T 7.92 3.73 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 7.47 4.36 0.00 1.81 2.03 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.54 7.81 30 P 0.00 4.36 0.00 2.04 2.11 0.00 3.71 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 31 E 8.08 4.05 0.00 2.08 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 2.30 2.28 0.00 32 K 8.22 4.74 0.00 1.94 1.75 0.00 1.19 0.00 0.00 0.74 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.39 7.81 33 L 8.36 4.16 0.00 1.63 1.65 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.54 5.36 0.00 1.96 1.82 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 2.23 2.35 0.00 35 L 8.88 4.30 0.00 1.69 1.68 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.39 4.57 0.00 1.97 2.02 0.00 1.92 0.00 0.00 2.39 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.47 7.81 37 K 7.32 4.00 0.00 0.92 1.21 0.00 0.99 0.00 0.00 0.61 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.33 0.76 7.81 38 F 8.64 4.99 0.00 2.40 2.79 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 0.00 0.00 0.00 39 D 8.30 4.10 0.00 2.45 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 40 P 0.00 3.67 0.00 2.04 2.09 0.00 3.20 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 1.96 1.88 0.00 41 V 7.08 3.36 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 0.64 0.00 0.00 0.90 0.00 0.00 42 V 7.81 3.62 2.25 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 1.00 0.00 0.00 0.96 0.00 0.00 43 R 7.90 4.39 0.00 2.12 2.15 0.00 3.21 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.04 0.00 44 Q 7.75 4.94 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.91 0.00 0.00 0.00 0.00 0.00 2.65 2.53 0.00 45 H 9.18 4.92 0.00 3.08 3.34 0.00 5.93 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.07 4.42 2.19 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 0.84 0.00 0.00 0.98 0.00 0.00 47 I 8.24 4.35 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.97 0.00 0.00 48 Y 8.66 4.87 0.00 2.85 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 49 K 8.33 4.79 0.00 1.81 1.70 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.42 7.81 50 E 9.31 3.84 0.00 2.15 2.01 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 2.19 2.24 0.00 51 A 8.53 4.44 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.19 0.00 1.85 1.75 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.43 7.81