NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0256 8.3393 109.7363 45.6369 0.0000 172.6055 2 S 4.1783 8.2143 116.9642 58.5135 65.9648 173.2756 3 H 4.6793 7.7258 119.5703 54.9581 32.2012 173.4177 4 M 4.4048 7.3820 117.1054 55.6831 33.4986 174.9176 5 E 4.6980 8.0955 113.2209 55.9395 31.6994 175.0954 6 Q 4.4232 7.5144 118.5295 54.5910 31.2276 175.5535 7 D 4.7122 7.8229 118.3141 52.9098 44.8281 174.6603 8 L 3.7732 8.0902 120.5503 56.1169 44.3766 178.7456 9 K 3.8009 8.1019 117.7039 59.0813 32.1916 176.0532 10 T 4.2818 6.9836 107.6974 60.9928 71.0627 169.6653 11 L 3.3292 8.4428 128.7677 53.7444 40.8104 172.6721 12 P 4.5720 0.0000 0.0000 63.1041 32.2728 176.2852 13 T 4.9639 8.6797 114.2372 61.4769 70.7178 173.6095 14 T 4.7645 9.3094 116.6590 60.0435 71.4174 173.0244 15 K 4.3314 8.5309 125.6945 56.4623 32.5542 175.8582 16 I 4.4395 7.8387 124.1045 60.5801 41.2203 173.0640 17 T 4.8680 8.4171 117.6372 61.8716 72.4326 173.3213 18 C 4.2656 8.1638 123.0172 56.7707 33.4141 172.7436 19 P 4.2719 0.0000 0.0000 63.9349 30.5899 176.5255 20 K 4.1724 7.2976 119.3583 57.3599 33.2789 176.2152 21 C 4.3250 7.9251 114.4059 58.0152 30.6573 174.6378 22 G 3.7780 8.0975 108.9152 45.4040 0.0000 172.7393 23 N 4.4293 7.9325 118.7470 54.0427 39.9059 174.0906 24 D 5.1464 8.6870 116.7862 54.1934 43.0732 174.5777 25 T 4.9701 8.5011 112.9394 63.3437 73.8826 172.1593 26 A 4.7960 8.4168 122.2962 51.6102 23.4672 175.8224 27 Y 4.9310 10.1313 118.4466 57.8134 39.9755 174.5964 28 W 6.0766 8.5178 115.6032 56.6708 31.4269 173.7916 29 W 5.2477 7.8846 118.6633 55.8263 31.2219 172.6055 30 E 4.9248 8.9073 117.9644 55.7520 31.4305 176.4916 31 M 4.9205 9.8481 121.6742 54.0770 34.3586 174.1710 32 Q 4.5479 8.4901 120.7438 55.6712 30.9923 176.8746 33 T 4.6449 7.9492 110.9006 61.7190 69.7965 172.9805 34 R 3.7190 8.7227 119.3579 56.1461 29.2777 176.7798 35 A 4.4987 7.9915 130.1118 53.1503 20.9941 176.5227 36 G 4.3390 8.0103 111.8362 46.1173 0.0000 171.6673 37 D 4.2675 8.2812 127.0226 53.4582 44.5386 176.3419 38 E 4.4572 7.8852 122.7067 54.7005 30.6202 172.9605 39 P 4.1013 0.0000 0.0000 63.6766 31.7933 174.7973 40 S 3.5862 8.7960 121.8858 59.1072 60.0111 171.3413 41 T 4.6318 8.0543 120.3602 61.4699 72.4789 173.2285 42 I 5.0207 7.5416 123.6599 58.8301 39.8103 174.7218 43 F 4.4170 7.3795 125.3331 55.6469 40.9168 174.4475 44 Y 5.0876 6.6374 119.6092 55.2462 39.6226 175.1078 45 K 5.0881 8.8708 125.3172 54.4129 33.2181 176.1689 46 C 4.2172 9.8769 127.2584 59.6654 32.8766 174.0878 47 T 4.8490 8.5438 114.1356 60.9150 67.9975 174.6628 48 K 4.5933 7.4471 122.3004 58.1952 36.8222 175.9964 49 C 4.3011 8.1576 115.4505 58.5799 31.1558 173.7161 50 G 3.9253 7.8462 108.2554 46.5687 0.0000 172.3197 51 H 5.3542 8.1694 117.2263 54.6073 33.9529 172.9837 52 T 5.4223 8.7424 116.9755 59.3429 71.0831 172.2294 53 W 5.3726 7.2739 125.2749 55.6598 31.7641 173.8677 54 R 4.0225 8.5580 114.6642 54.0774 31.9170 176.5377 55 S 4.7672 7.7559 117.4894 58.1220 64.8752 175.8992 56 Y 4.5999 8.2942 123.8266 59.2180 39.5254 174.4151 57 E 4.2987 8.1542 125.4323 56.6134 30.3566 175.8459 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 8.34 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 2 S 8.21 4.18 0.00 4.01 3.91 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 3 H 7.73 4.68 0.00 3.06 3.28 0.00 5.96 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.38 4.40 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 5 E 8.10 4.70 0.00 1.84 1.78 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 2.11 2.20 0.00 6 Q 7.51 4.42 0.00 1.92 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.65 6.65 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 7 D 7.82 4.71 0.00 2.30 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 8 L 8.09 3.77 0.00 1.49 1.35 0.75 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.10 3.80 0.00 1.66 1.83 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.47 7.81 10 T 6.98 4.28 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 1.14 0.00 0.00 11 L 8.44 3.33 0.00 1.71 1.54 0.45 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.57 0.00 2.46 2.17 0.00 3.36 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.01 0.00 13 T 8.68 4.96 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 1.07 0.00 0.00 14 T 9.31 4.76 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 1.17 0.00 0.00 15 K 8.53 4.33 0.00 1.63 1.73 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.77 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.35 7.81 16 I 7.84 4.44 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 1.40 0.58 1.12 0.00 0.00 17 T 8.42 4.87 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 1.27 0.00 0.00 18 C 8.16 4.27 0.00 2.98 2.87 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 0.00 0.00 0.00 19 P 0.00 4.27 0.00 2.07 1.99 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 20 K 7.30 4.17 0.00 1.64 1.79 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.26 1.28 7.81 21 C 7.93 4.33 0.00 3.14 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 22 G 8.10 3.78 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 0.00 0.00 0.00 23 N 7.93 4.43 0.00 2.88 2.82 0.00 0.00 6.55 8.52 0.00 0.00 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 D 8.69 5.15 0.00 2.80 2.55 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 25 T 8.50 4.97 4.21 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 1.23 0.00 0.00 26 A 8.42 4.80 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 10.13 4.93 0.00 3.28 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 28 W 8.52 6.08 0.00 3.54 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.88 5.25 0.00 3.32 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 30 E 8.91 4.92 0.00 2.05 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 2.34 2.41 0.00 31 M 9.85 4.92 0.00 1.82 2.36 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.79 0.00 32 Q 8.49 4.55 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 33 T 7.95 4.64 4.27 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 1.26 0.00 0.00 34 R 8.72 3.72 0.00 1.83 1.79 0.00 3.28 0.00 0.00 3.24 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 35 A 7.99 4.50 1.23 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 0.00 0.00 36 G 8.01 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 0.00 0.00 0.00 0.00 37 D 8.28 4.27 0.00 2.62 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 7.89 4.46 0.00 1.92 1.75 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 2.25 2.38 0.00 39 P 0.00 4.10 0.00 2.11 2.00 0.00 4.17 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 40 S 8.80 3.59 0.00 4.01 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 41 T 8.05 4.63 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 42 I 7.54 5.02 1.43 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 1.41 0.40 0.13 0.00 0.00 43 F 7.38 4.42 0.00 1.51 2.31 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.64 5.09 0.00 1.43 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 0.00 0.00 0.00 0.00 45 K 8.87 5.09 0.00 2.34 2.25 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.72 1.71 7.81 46 C 9.88 4.22 0.00 3.44 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 47 T 8.54 4.85 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 0.49 0.00 0.00 48 K 7.45 4.59 0.00 1.71 1.78 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.53 7.81 49 C 8.16 4.30 0.00 3.19 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 50 G 7.85 3.93 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 0.00 0.00 0.00 51 H 8.17 5.35 0.00 3.40 3.45 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.74 5.42 4.46 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 1.53 0.00 0.00 53 W 7.27 5.37 0.00 3.38 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.56 4.02 0.00 0.95 0.66 0.00 2.69 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.28 0.00 55 S 7.76 4.77 0.00 3.50 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 56 Y 8.29 4.60 0.00 2.96 2.90 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 0.00 0.00 0.00 57 E 8.15 4.30 0.00 1.90 1.78 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 2.23 2.30 0.00