NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4614 8.1633 120.3257 54.7724 33.7047 177.1027 2 K 3.6115 8.3020 121.4095 58.3724 32.2245 172.0434 3 V 4.4562 7.3151 117.3612 60.5437 35.3578 173.6260 4 R 4.3776 8.0029 120.8817 55.7594 31.4840 175.0584 5 A 4.0498 8.5964 120.9371 53.5862 19.0561 177.5320 6 S 4.5151 7.7237 110.3890 56.5215 61.7575 172.0452 7 V 4.0926 7.8547 124.8552 61.3843 32.4645 175.3776 8 K 4.6877 8.0627 124.4975 54.6824 36.1576 176.0461 9 R 4.0861 8.3448 120.2622 56.6242 30.5809 176.9198 10 I 4.0868 8.2727 124.0636 63.4281 38.8468 176.5120 11 C 4.8171 7.3590 111.4191 58.4918 29.0616 175.4678 12 D 4.8468 8.8502 116.4445 52.6612 39.9756 175.9478 13 K 4.3302 8.0319 118.0308 56.6875 32.4939 175.6077 14 C 4.6787 7.8417 117.9461 58.9028 29.0484 173.2404 15 K 4.4787 9.1390 124.0056 54.9180 34.4155 176.0327 16 V 4.7739 8.0241 123.1855 61.4328 30.4085 174.7692 17 I 3.9344 7.7970 124.9217 60.7167 38.8567 174.9539 18 R 5.5274 8.6437 125.2344 53.1521 29.4339 173.1245 19 R 4.4392 7.8051 117.0812 55.1898 31.6768 176.7908 20 H 3.8666 9.3279 118.8574 57.0718 25.7332 176.8993 21 G 4.1055 8.5325 107.6734 45.5692 0.0000 174.4227 22 R 4.5682 7.3986 117.1298 54.5987 32.4566 175.6340 23 V 4.4656 8.1436 120.3124 62.3404 32.1260 174.7313 24 Y 4.5923 8.7188 126.7154 56.5655 40.0894 176.5833 25 V 5.2191 7.7595 116.2111 60.9749 31.5061 174.0229 26 I 4.0435 7.8161 124.2838 62.1264 38.7794 175.6057 27 C 4.4758 8.1896 124.3816 58.8334 34.2810 172.2507 28 E 4.1632 9.0351 120.1083 58.1433 29.8571 175.9909 29 N 4.6290 7.7079 118.0884 51.3704 38.3460 173.0980 30 P 4.3632 0.0000 0.0000 66.7611 31.4777 179.1710 31 K 4.5167 7.7183 117.9543 59.1019 32.1262 177.0186 32 H 4.6533 8.0933 112.4152 56.0574 28.7127 175.3513 33 K 4.4295 9.1314 122.7009 56.7841 32.7276 176.0448 34 Q 4.5473 7.7068 124.7639 55.7730 33.1910 173.9039 35 R 3.8017 7.7684 114.0566 56.1096 33.0565 174.1599 36 Q 4.7288 8.7888 130.2534 55.0364 27.8859 176.2571 37 G 3.6981 8.0703 112.8160 45.1839 0.0000 170.4106 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 M 8.16 4.46 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 2 K 8.30 3.61 0.00 1.79 1.87 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.41 7.81 3 V 7.32 4.46 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.87 0.00 0.00 4 R 8.00 4.38 0.00 1.95 1.94 0.00 2.99 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 5 A 8.60 4.05 1.29 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 0.00 0.00 6 S 7.72 4.52 0.00 3.81 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 V 7.85 4.09 2.08 0.00 0.00 0.00 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 0.93 0.00 0.00 8 K 8.06 4.69 0.00 1.71 1.62 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.34 1.45 7.81 9 R 8.34 4.09 0.00 1.79 1.86 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 10 I 8.27 4.09 1.64 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.42 0.58 0.00 0.00 11 C 7.36 4.82 0.00 3.06 2.16 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 0.00 0.00 0.00 0.00 12 D 8.85 4.85 0.00 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 K 8.03 4.33 0.00 1.79 1.89 0.00 1.75 0.00 0.00 1.89 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 14 C 7.84 4.68 0.00 2.86 2.88 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 15 K 9.14 4.48 0.00 1.82 1.72 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.37 7.81 16 V 8.02 4.77 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 0.84 0.00 0.00 0.95 0.00 0.00 17 I 7.80 3.93 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.02 0.83 0.00 0.00 18 R 8.64 5.53 0.00 1.79 1.80 0.00 3.05 0.00 0.00 2.25 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 19 R 7.81 4.44 0.00 1.87 1.76 0.00 2.47 0.00 0.00 2.83 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.83 0.00 20 H 9.33 3.87 0.00 3.38 3.47 0.00 5.86 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.53 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 0.00 0.00 0.00 0.00 22 R 7.40 4.57 0.00 2.37 2.04 0.00 3.35 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 23 V 8.14 4.47 2.22 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 1.08 0.00 0.00 1.03 0.00 0.00 24 Y 8.72 4.59 0.00 2.87 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 25 V 7.76 5.22 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 1.27 0.00 0.00 1.02 0.00 0.00 26 I 7.82 4.04 1.90 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 1.29 0.55 0.93 0.00 0.00 27 C 8.19 4.48 0.00 2.96 2.82 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 28 E 9.04 4.16 0.00 1.98 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 2.28 2.30 0.00 29 N 7.71 4.63 0.00 2.80 2.76 0.00 0.00 6.00 7.75 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 30 P 0.00 4.36 0.00 2.23 2.36 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 31 K 7.72 4.52 0.00 1.90 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.50 7.81 32 H 8.09 4.65 0.00 3.30 3.30 0.00 5.67 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 9.13 4.43 0.00 1.97 1.71 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.46 7.81 34 Q 7.71 4.55 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.60 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 35 R 7.77 3.80 0.00 1.13 1.62 0.00 2.92 0.00 0.00 2.97 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 36 Q 8.79 4.73 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.14 0.00 37 G 8.07 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 0.00 0.00 0.00