NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8861 8.3544 109.7367 45.2914 0.0000 176.1212 2 S 4.5223 8.7875 117.1957 53.6253 65.6971 170.1243 3 S 4.3483 8.5214 118.1129 57.7988 64.7989 172.1404 4 G 3.4424 8.4161 114.4171 45.0528 0.0000 174.2165 5 S 3.9316 7.5628 113.1997 58.9043 62.5602 173.5141 6 S 4.3698 8.6802 125.2743 57.3051 62.8679 174.0170 7 G 3.7483 8.5695 113.3139 45.9048 0.0000 170.8138 8 K 4.3362 8.2292 125.7455 54.5350 33.1963 176.0570 9 K 4.5277 8.3030 125.7735 55.3416 35.2614 174.2015 10 N 4.8563 8.4241 122.8405 50.6900 40.9257 174.0784 11 P 4.4367 0.0000 0.0000 64.7654 31.9829 179.0958 12 C 4.6453 8.1395 117.3435 59.2992 40.2882 174.3836 13 N 4.8278 8.0095 113.9656 52.2240 37.7360 174.2639 14 A 4.5356 8.1473 120.9710 53.7066 20.6224 177.8468 15 E 4.4317 8.1738 112.2559 57.2092 32.1170 176.0530 16 F 4.7380 9.0916 116.7598 57.3475 38.9742 177.5817 17 Q 4.7912 8.4933 121.4639 58.4862 28.3298 176.4786 18 N 4.7966 8.0741 114.2294 52.8023 37.4860 175.0941 19 F 4.3837 7.7783 119.4705 60.9251 40.8446 176.4287 20 C 4.8566 8.0541 125.0454 56.3566 38.3551 173.9307 21 I 3.6179 7.8858 123.4842 63.7298 37.0028 177.3994 22 H 4.4631 8.0035 122.7133 53.6634 29.2703 173.2331 23 G 4.5797 7.4553 112.0130 45.5739 0.0000 168.7840 24 E 4.3894 7.9801 121.3707 55.6298 30.8342 175.4354 25 C 5.1080 8.7211 127.1820 55.2225 43.8854 172.8638 26 K 4.4526 8.4772 126.2981 54.7948 35.0368 174.3525 27 Y 4.4471 8.5879 130.1671 57.5587 40.1942 174.2286 28 I 3.7171 8.1605 128.6548 60.7164 38.3792 176.1617 29 E 3.6454 8.6802 128.6782 58.8174 30.0265 177.8543 30 H 4.3465 8.1374 112.9372 57.8033 28.2414 175.3894 31 L 4.4007 7.1757 116.3181 53.3297 43.2615 175.5894 32 E 3.6369 8.3860 116.9977 55.7035 27.8480 174.6527 33 A 4.7784 7.4931 118.3314 50.0736 22.8376 176.8847 34 V 4.2349 8.0951 121.6738 61.1578 32.9649 175.2296 35 T 4.4918 8.0111 116.3245 60.5323 71.6656 171.8477 36 C 5.0366 8.3856 121.3216 54.8216 43.2088 174.0767 37 K 4.3243 9.2856 125.2519 56.3890 32.9593 175.5951 38 C 5.2137 8.6422 122.1695 55.1567 40.5228 174.2706 39 Q 4.2656 8.7266 122.7210 55.6234 29.3429 176.7655 40 Q 3.8961 8.7369 118.9145 59.7618 29.5785 177.5519 41 E 4.0500 8.3590 117.0707 59.3106 29.6848 176.8863 42 Y 5.2542 7.5177 114.1677 56.7141 39.4423 173.8481 43 F 4.8376 7.9154 114.7980 56.9941 41.0279 173.4221 44 G 4.1381 9.0267 106.1222 45.4930 0.0000 172.7611 45 E 4.4404 8.3573 117.6522 58.5942 31.1773 177.7393 46 R 4.2681 7.8889 117.1962 57.9048 30.9880 177.8856 47 C 4.4552 7.6878 112.9590 58.5667 36.7243 175.4055 48 G 3.5488 8.1335 109.5466 47.4479 0.0000 174.6130 49 E 4.5072 7.7828 119.2765 54.7085 30.9725 176.3215 50 K 4.6113 8.1880 119.7849 55.9309 32.6751 175.9148 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 G 8.35 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 2 S 8.79 4.52 0.00 3.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.52 4.35 0.00 4.02 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 4 G 8.42 3.44 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 5 S 7.56 3.93 0.00 3.84 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 6 S 8.68 4.37 0.00 3.89 3.81 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 0.00 0.00 0.00 7 G 8.57 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 0.00 0.00 0.00 8 K 8.23 4.34 0.00 1.73 1.72 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.42 7.81 9 K 8.30 4.53 0.00 1.69 1.57 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.44 7.81 10 N 8.42 4.86 0.00 2.82 2.64 0.00 0.00 7.01 8.11 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 11 P 0.00 4.44 0.00 2.11 2.09 0.00 3.12 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.50 0.00 12 C 8.14 4.65 0.00 3.00 3.18 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 13 N 8.01 4.83 0.00 2.71 2.85 0.00 0.00 6.79 7.28 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 14 A 8.15 4.54 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 15 E 8.17 4.43 0.00 1.87 1.93 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 1.77 2.14 0.00 16 F 9.09 4.74 0.00 3.24 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 17 Q 8.49 4.79 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.59 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 18 N 8.07 4.80 0.00 2.81 2.92 0.00 0.00 5.77 7.35 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 19 F 7.78 4.38 0.00 3.26 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 20 C 8.05 4.86 0.00 3.03 3.06 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 0.00 0.00 0.00 0.00 21 I 7.89 3.62 1.69 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.61 0.52 0.00 0.00 22 H 8.00 4.46 0.00 1.96 1.79 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.46 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.98 4.39 0.00 2.07 1.83 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 2.35 2.30 0.00 25 C 8.72 5.11 0.00 3.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.45 0.00 1.81 1.56 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.30 1.38 7.81 27 Y 8.59 4.45 0.00 2.97 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 28 I 8.16 3.72 1.59 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.89 0.73 0.00 0.00 29 E 8.68 3.65 0.00 1.86 1.85 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 2.37 2.25 0.00 30 H 8.14 4.35 0.00 3.26 3.39 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.18 4.40 0.00 1.21 1.48 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.39 3.64 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 33 A 7.49 4.78 1.10 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 34 V 8.10 4.23 1.55 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 -1.09 0.00 0.00 0.59 0.00 0.00 35 T 8.01 4.49 4.11 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 0.00 0.00 1.16 0.00 0.00 36 C 8.39 5.04 0.00 3.08 2.97 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 0.00 0.00 0.00 0.00 37 K 9.29 4.32 0.00 1.83 1.74 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.56 7.81 38 C 8.64 5.21 0.00 2.97 3.11 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 0.00 0.00 0.00 39 Q 8.73 4.27 0.00 2.39 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.95 0.00 0.00 0.00 0.00 0.00 2.53 2.41 0.00 40 Q 8.74 3.90 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 7.06 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 41 E 8.36 4.05 0.00 1.76 1.70 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 2.36 2.32 0.00 42 Y 7.52 5.25 0.00 2.91 2.83 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 43 F 7.92 4.84 0.00 3.22 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 44 G 9.03 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.36 4.44 0.00 2.08 2.24 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 2.38 2.49 0.00 46 R 7.89 4.27 0.00 1.87 2.07 0.00 3.03 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 47 C 7.69 4.46 0.00 3.19 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 48 G 8.13 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.78 4.51 0.00 1.62 1.62 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 2.30 2.21 0.00 50 K 8.19 4.61 0.00 1.03 0.74 0.00 1.04 0.00 0.00 2.33 0.00 0.00 2.69 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.14 1.15 7.81