NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.7181 8.1700 119.7085 53.0804 41.1399 175.7308 2 H 3.7204 8.8023 117.7921 58.7328 29.4136 174.8019 3 Y 3.8448 8.2618 121.0327 60.8707 38.9831 177.1403 4 N 4.4934 9.1599 119.5867 56.2451 38.9957 175.8036 5 C 4.2076 8.4582 120.3071 59.9168 43.6030 175.8564 6 V 3.6155 7.9045 120.0702 65.7126 31.0845 178.0573 7 S 4.1305 8.2927 113.8159 60.3073 62.6565 175.4415 8 S 4.7401 7.6276 117.3515 58.0640 63.0762 174.7005 9 G 3.8277 8.0510 110.5681 45.0377 0.0000 173.6508 10 G 4.0253 7.9518 107.6359 44.8399 0.0000 172.9414 11 Q 4.7421 8.7831 120.6263 54.2419 31.9048 173.8237 12 C 4.9283 8.7959 123.6302 56.1519 38.8095 172.8136 13 A 4.8408 8.8142 126.5680 49.9939 21.4084 174.9825 14 Y 4.1178 8.8607 120.4994 59.5172 38.4983 175.1090 15 S 4.3251 10.5628 120.7140 57.9434 61.9695 169.3120 16 A 4.6126 7.3359 119.6773 51.3122 21.7837 175.7470 17 C 4.7696 8.4236 117.6879 54.5359 37.1445 172.6060 18 P 4.5140 0.0000 0.0000 61.8262 31.8883 175.4048 19 I 3.5682 7.8141 118.8496 62.6102 38.0902 175.8575 20 F 4.2240 8.5258 123.7941 57.7223 36.1941 174.2332 21 T 5.0076 7.6529 109.8761 59.9325 72.0214 172.8042 22 K 4.7016 8.0766 119.8928 55.2898 36.7376 174.9604 23 I 4.1809 8.2192 121.7569 61.6906 37.4903 177.1742 24 Q 4.2726 9.2685 126.2745 53.7980 29.6616 176.2126 25 G 3.7621 8.8861 110.5031 44.3383 0.0000 169.6330 26 T 5.0540 7.9416 107.2220 60.2776 72.3143 172.8828 27 C 4.7638 8.0437 118.0735 56.0532 45.9528 172.9680 28 Y 3.9731 8.6199 115.8679 59.9829 33.9263 170.3703 29 R 3.9685 8.7833 111.8788 57.4250 28.2224 178.3132 30 G 3.9771 8.4064 103.5762 45.7408 0.0000 175.1392 31 K 4.2067 8.0812 118.3510 57.3305 32.7725 176.4216 32 A 4.6731 7.7434 120.1711 49.5279 22.4304 175.7908 33 K 4.4876 8.8074 118.9329 56.1622 34.1529 175.3646 34 C 4.9891 8.8338 123.6661 55.4800 44.8117 171.5861 35 C 5.5262 9.1904 124.1668 55.0992 42.7988 174.3441 36 K 4.2469 8.8504 122.6848 56.6300 32.4889 176.2520 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 D 8.17 4.72 0.00 2.96 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 2 H 8.80 3.72 0.00 3.27 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.26 3.84 0.00 3.19 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 4 N 9.16 4.49 0.00 2.99 2.83 0.00 0.00 6.39 7.67 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 5 C 8.46 4.21 0.00 3.02 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 6 V 7.90 3.62 1.91 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 0.91 0.00 0.00 0.92 0.00 0.00 7 S 8.29 4.13 0.00 3.91 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 8 S 7.63 4.74 0.00 3.97 3.92 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.05 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 10 G 7.95 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 8.78 4.74 0.00 2.09 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.88 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 12 C 8.80 4.93 0.00 2.71 2.26 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 13 A 8.81 4.84 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 14 Y 8.86 4.12 0.00 2.89 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 15 S 10.56 4.33 0.00 4.10 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.34 4.61 1.21 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 0.00 0.00 17 C 8.42 4.77 0.00 2.95 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 18 P 0.00 4.51 0.00 2.23 2.20 0.00 3.71 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 2.09 2.08 0.00 19 I 7.81 3.57 1.62 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.11 0.80 0.00 0.00 20 F 8.53 4.22 0.00 3.32 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 5.01 4.34 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 1.26 0.00 0.00 22 K 8.08 4.70 0.00 1.79 1.90 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.46 7.81 23 I 8.22 4.18 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.89 0.00 0.00 24 Q 9.27 4.27 0.00 1.80 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.41 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 25 G 8.89 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 0.00 0.00 0.00 26 T 7.94 5.05 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 1.18 0.00 0.00 27 C 8.04 4.76 0.00 1.91 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 0.00 0.00 0.00 28 Y 8.62 3.97 0.00 3.14 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 29 R 8.78 3.97 0.00 2.02 2.05 0.00 3.48 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 30 G 8.41 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 0.00 0.00 0.00 31 K 8.08 4.21 0.00 2.14 2.13 0.00 1.91 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.54 7.81 32 A 7.74 4.67 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.81 4.49 0.00 1.65 1.68 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.51 7.81 34 C 8.83 4.99 0.00 2.87 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 35 C 9.19 5.53 0.00 2.90 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 36 K 8.85 4.25 0.00 1.56 1.62 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.34 7.81