NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5657 8.3049 120.3487 55.2023 33.5133 175.0116 2 K 4.1620 9.2230 125.8443 54.6857 33.4013 172.7580 3 V 3.5730 8.7372 121.6272 66.3692 32.1930 177.9947 4 K 3.8665 8.0883 118.5393 59.7094 31.9484 178.4494 5 Q 4.0081 7.8840 118.3068 59.0403 28.5555 178.9460 6 L 4.0180 7.7366 119.4830 57.5810 41.7791 179.4760 7 V 3.5666 8.1081 118.5853 66.1492 31.4905 177.8462 8 D 4.3513 8.2249 118.6430 57.1542 40.5947 178.7139 9 K 3.9046 8.0609 120.1635 59.6046 32.1861 179.0936 10 V 3.5980 8.0590 118.6856 65.9385 31.4961 177.8176 11 E 3.9338 8.3624 118.5474 59.2474 29.2874 178.8540 12 E 3.9473 8.1728 119.3466 59.3669 29.6396 178.9476 13 L 4.0427 8.1530 119.0827 57.7415 41.6630 179.4756 14 L 4.0230 8.2022 119.1825 57.9199 41.4490 179.8171 15 S 4.1723 8.0618 114.8514 61.4656 62.7750 176.8613 16 K 4.0957 8.2711 121.3160 59.4668 31.6981 178.9588 17 N 4.3430 8.6372 117.8189 56.5740 38.8434 176.0807 18 Y 4.1560 8.1787 121.0844 61.4063 38.7784 178.2264 19 H 4.0644 8.1059 116.5243 58.3859 28.7513 177.5754 20 L 3.9007 7.9534 122.3650 58.2030 41.9438 179.1129 21 V 3.5676 8.0039 118.4240 66.2904 31.4356 177.7855 22 N 4.2385 7.9882 116.0974 56.0609 38.2863 177.1136 23 E 3.9233 8.3007 121.1418 59.0842 29.6216 179.0481 24 V 3.5459 7.9431 118.1932 65.8912 31.6158 177.7572 25 A 3.9455 8.1126 120.6189 55.1896 18.1740 179.6233 26 R 3.8167 8.0315 117.0817 59.6235 30.1295 178.8399 27 L 4.0191 8.0607 118.8655 57.6181 41.5855 179.6665 28 V 3.5487 8.0948 118.6353 65.7357 31.2525 177.9674 29 K 3.8954 7.8990 118.2719 59.3818 32.2265 178.1326 30 L 4.0744 7.9154 120.5168 58.3371 42.1510 179.2094 31 V 3.7014 8.1068 118.4136 65.7873 31.2399 177.9630 32 G 3.7898 8.1170 104.1210 46.5188 0.0000 174.3004 33 E 4.5287 7.4602 120.0545 56.0863 29.9577 176.0750 34 R 4.0509 7.6377 125.4708 56.9857 30.0887 175.9061 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 8.30 4.57 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 2 K 9.22 4.16 0.00 1.98 1.70 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.44 7.81 3 V 8.74 3.57 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 1.12 0.00 0.00 0.93 0.00 0.00 4 K 8.09 3.87 0.00 1.90 1.80 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.60 7.81 5 Q 7.88 4.01 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 6 L 7.74 4.02 0.00 1.86 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.11 3.57 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.98 0.00 0.00 8 D 8.22 4.35 0.00 2.73 2.70 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 9 K 8.06 3.90 0.00 1.88 1.94 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.49 7.81 10 V 8.06 3.60 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 1.05 0.00 0.00 0.93 0.00 0.00 11 E 8.36 3.93 0.00 2.17 1.97 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 2.51 2.45 0.00 12 E 8.17 3.95 0.00 2.06 2.15 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 2.32 2.37 0.00 13 L 8.15 4.04 0.00 1.89 1.71 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.20 4.02 0.00 1.84 1.71 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.06 4.17 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.27 4.10 0.00 1.95 1.90 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.71 7.81 17 N 8.64 4.34 0.00 2.94 2.98 0.00 0.00 6.83 7.41 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 18 Y 8.18 4.16 0.00 3.08 3.09 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 19 H 8.11 4.06 0.00 3.23 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.95 3.90 0.00 1.79 1.88 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.00 3.57 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 0.94 0.00 0.00 0.97 0.00 0.00 22 N 7.99 4.24 0.00 2.73 2.68 0.00 0.00 6.69 7.80 0.00 0.00 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 E 8.30 3.92 0.00 2.05 2.07 0.00 0.00 0.00 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 2.34 0.00 24 V 7.94 3.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.92 0.00 0.00 25 A 8.11 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 3.82 0.00 1.97 2.09 0.00 3.09 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 1.61 1.65 0.00 27 L 8.06 4.02 0.00 1.86 1.69 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.09 3.55 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.95 0.00 0.00 29 K 7.90 3.90 0.00 1.85 1.97 0.00 1.85 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.44 7.81 30 L 7.92 4.07 0.00 1.88 1.81 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.11 3.70 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.95 0.00 0.00 32 G 8.12 3.79 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 0.00 0.00 0.00 33 E 7.46 4.53 0.00 2.03 1.96 0.00 0.00 0.00 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 2.38 0.00 34 R 7.64 4.05 0.00 1.97 1.86 0.00 3.29 0.00 0.00 3.48 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00