NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5560 0.0000 0.0000 62.6599 33.6638 174.7938 2 M 5.3799 8.5827 120.3815 53.4205 35.4738 173.4193 3 I 4.9427 9.1879 124.5465 59.5144 41.5439 174.4047 4 S 5.2682 8.8740 119.3576 56.7251 66.5649 172.8586 5 C 4.8182 8.9374 121.5385 57.9506 34.2722 172.2781 6 D 5.4403 8.8752 127.1014 53.3842 41.6859 175.8127 7 M 4.5899 9.2229 120.3758 53.2560 35.3215 174.1118 8 A 4.3032 7.7901 121.2621 51.7985 19.0918 177.1334 9 Y 4.6031 7.7148 119.0900 58.6017 38.3262 176.3454 10 G 3.8276 9.3158 109.4014 45.8857 0.0000 174.9933 11 R 4.2761 7.8542 119.7821 56.0827 30.8976 177.1542 12 T 4.2587 9.0587 113.3431 61.3724 70.9973 175.6882 13 D 4.4101 8.5756 121.3469 57.5022 40.7289 178.9569 14 E 3.9695 8.1252 118.7269 59.5367 29.4615 179.2014 15 Q 3.9979 8.1300 118.0531 58.9437 28.7890 179.0417 16 K 4.0445 8.1687 119.5411 59.4187 32.0513 179.6696 17 R 3.9394 8.4197 118.5385 59.0711 29.9628 178.8034 18 A 3.9652 8.1731 120.6817 55.1504 18.4063 179.2603 19 L 3.8657 8.1748 119.2543 58.3788 42.0905 179.4700 20 S 3.7159 8.2392 113.7930 61.2451 63.1367 176.0418 21 A 4.0316 8.1211 124.9264 54.7372 18.1031 179.8922 22 G 3.4661 8.1430 104.0122 47.9133 0.0000 175.9471 23 L 3.8637 7.7547 121.9033 57.4073 41.6155 179.7097 24 L 3.8797 8.0857 119.3177 57.5404 41.4881 179.6039 25 R 3.8481 7.9754 118.6913 59.5880 30.0367 179.1054 26 V 3.6327 7.7492 112.2145 64.3693 31.4334 178.7672 27 I 3.6952 8.0142 119.9503 64.2414 36.9719 178.2935 28 S 4.2721 8.0477 115.3619 60.8923 61.9885 175.9515 29 E 3.9225 8.0963 120.4562 59.1692 29.4475 178.3069 30 A 4.1229 8.0498 120.1417 55.1120 18.5601 179.1027 31 T 4.2210 8.1716 113.0695 63.4933 69.0565 176.5138 32 G 3.9253 8.0352 107.2287 45.5454 0.0000 173.1543 33 E 4.4129 7.6614 119.6925 54.1466 30.8805 174.3790 34 P 4.3818 0.0000 0.0000 62.5354 32.4496 177.4140 35 R 3.8917 8.6836 118.7662 59.6859 30.0719 178.7471 36 E 4.1733 8.1782 115.1295 58.3338 29.5165 176.9751 37 N 4.7168 8.1415 115.3467 52.9475 38.9350 174.6622 38 I 4.5872 7.4581 119.9800 59.5621 38.4593 174.9185 39 F 4.6446 9.0264 130.7689 57.4085 40.8457 174.1491 40 F 5.5408 7.8072 127.0949 56.2916 42.1684 173.9018 41 V 3.9943 8.3287 125.1270 59.6755 34.2209 174.3220 42 I 4.4675 7.7409 124.1967 59.5606 39.1062 174.9852 43 R 4.5561 9.1780 126.0105 54.4221 32.7686 174.7128 44 E 5.4829 8.0310 122.8963 53.9984 32.6822 175.1225 45 G 4.4264 8.0593 108.4228 44.6927 0.0000 172.0535 46 S 5.1286 8.9530 114.7878 57.1061 64.6171 175.4375 47 G 3.9874 10.0313 110.2812 48.1396 0.0000 175.9257 48 I 3.7936 7.9047 118.6438 63.6187 37.9917 176.0031 49 N 4.6158 8.2479 115.4076 53.6319 38.7429 174.7390 50 F 4.7155 8.4146 118.0631 55.3589 42.1401 174.2779 51 V 4.7298 8.4319 123.3480 61.0968 33.3982 174.5130 52 E 4.6152 8.7041 126.6109 55.9265 32.5997 175.5752 53 H 3.9699 10.0482 123.3939 57.2836 28.2875 175.2280 54 G 4.0168 9.1974 103.5606 45.2422 0.0000 173.6127 55 E 4.7614 7.9057 118.3175 54.4066 33.6710 174.5425 56 H 5.5446 8.6483 119.3195 55.6277 29.5458 175.2724 57 L 4.4976 8.6257 121.8382 53.9160 43.1339 174.8933 58 P 4.6054 0.0000 0.0000 62.4273 33.1959 175.9176 59 D 4.5611 8.4404 118.5355 54.5071 41.0818 176.7201 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 P 0.00 4.56 0.00 2.13 2.06 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 2 M 8.58 5.38 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 3 I 9.19 4.94 2.09 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.83 1.01 0.00 0.00 4 S 8.87 5.27 0.00 3.84 3.87 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 5 C 8.94 4.82 0.00 3.32 2.84 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 D 8.88 5.44 0.00 2.72 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 7 M 9.22 4.59 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 8 A 7.79 4.30 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.71 4.60 0.00 2.93 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 10 G 9.32 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 11 R 7.85 4.28 0.00 1.80 1.89 0.00 3.24 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 12 T 9.06 4.26 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 1.22 0.00 0.00 13 D 8.58 4.41 0.00 2.75 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 14 E 8.13 3.97 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 15 Q 8.13 4.00 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 16 K 8.17 4.04 0.00 1.97 1.89 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.64 7.81 17 R 8.42 3.94 0.00 1.99 1.99 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 18 A 8.17 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 3.87 0.00 1.86 1.94 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.24 3.72 0.00 4.19 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 0.00 21 A 8.12 4.03 1.36 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 0.00 0.00 0.00 22 G 8.14 3.47 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 0.00 23 L 7.75 3.86 0.00 1.20 1.38 0.42 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.09 3.88 0.00 1.75 1.66 0.79 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.98 3.85 0.00 1.86 2.01 0.00 3.07 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 26 V 7.75 3.63 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 0.68 0.00 0.00 0.94 0.00 0.00 27 I 8.01 3.70 1.94 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 1.38 0.50 0.90 0.00 0.00 28 S 8.05 4.27 0.00 3.92 4.06 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 29 E 8.10 3.92 0.00 2.13 1.94 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 2.31 2.46 0.00 30 A 8.05 4.12 1.34 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 31 T 8.17 4.22 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 32 G 8.04 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 33 E 7.66 4.41 0.00 2.01 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 2.37 2.24 0.00 34 P 0.00 4.38 0.00 2.38 2.18 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 35 R 8.68 3.89 0.00 1.89 2.03 0.00 3.12 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 36 E 8.18 4.17 0.00 1.95 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 2.33 2.41 0.00 37 N 8.14 4.72 0.00 2.88 2.86 0.00 0.00 6.81 7.42 0.00 0.00 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 I 7.46 4.59 2.00 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 1.13 0.71 0.92 0.00 0.00 39 F 9.03 4.64 0.00 3.23 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 40 F 7.81 5.54 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.33 3.99 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 0.83 0.00 0.00 0.84 0.00 0.00 42 I 7.74 4.47 1.62 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.36 0.80 0.00 0.00 43 R 9.18 4.56 0.00 1.76 1.76 0.00 3.40 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.51 0.00 44 E 8.03 5.48 0.00 1.20 1.12 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 2.11 1.96 0.00 45 G 8.06 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.95 5.13 0.00 4.15 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 0.00 47 G 10.03 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.90 3.79 1.91 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 1.41 0.74 0.96 0.00 0.00 49 N 8.25 4.62 0.00 2.90 2.52 0.00 0.00 6.78 6.99 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 50 F 8.41 4.72 0.00 3.15 2.92 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 51 V 8.43 4.73 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 0.80 0.00 0.00 0.64 0.00 0.00 52 E 8.70 4.62 0.00 2.07 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 2.26 2.30 0.00 53 H 10.05 3.97 0.00 3.22 3.35 0.00 5.96 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 54 G 9.20 4.02 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 0.00 0.00 0.00 55 E 7.91 4.76 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 2.26 2.30 0.00 56 H 8.65 5.54 0.00 3.07 3.29 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.63 4.50 0.00 1.84 1.60 0.77 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.61 0.00 2.09 2.08 0.00 3.76 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 1.99 2.01 0.00 59 D 8.44 4.56 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00