NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5388 8.3193 116.7984 58.9696 63.8464 174.0851 3 S 5.1311 8.5123 117.6753 59.4460 63.5960 171.6504 4 E 4.5897 8.6598 121.4612 56.9722 31.9262 177.8249 5 K 4.4491 8.3053 117.1625 56.7917 34.5645 175.1083 6 E 4.3229 7.9821 121.2187 54.3274 30.2466 175.2936 7 Y 4.7176 6.7871 124.1824 57.0027 38.0440 178.4296 8 V 4.1041 9.0665 110.2122 61.4884 31.1707 177.5391 9 E 3.9843 8.0454 120.7853 58.9583 29.7598 178.0629 10 M 4.3785 7.8778 114.6563 55.2207 32.1872 177.9002 11 L 3.7851 7.8095 121.2891 58.2717 41.9524 179.0111 12 D 4.6160 8.2522 117.6261 57.3791 41.2859 177.3300 13 R 4.4713 7.3512 114.8716 55.7125 30.2975 177.2356 14 L 4.1845 7.6693 121.9348 57.6148 41.9565 178.2264 15 Y 4.2549 7.0371 116.7282 60.7074 37.2486 178.3808 16 S 4.2858 8.1922 115.0070 60.5270 63.1750 175.4104 17 K 4.2926 7.4107 119.2047 56.2347 32.2421 177.6969 18 L 4.1088 7.4102 121.5219 56.8715 42.5185 175.3821 19 P 4.9398 0.0000 0.0000 62.6525 31.1626 177.7768 20 E 4.6669 8.6197 108.1125 56.3624 30.4797 174.5992 21 K 3.8441 8.9910 113.0513 57.7593 32.3971 176.1956 22 G 3.8840 7.9786 106.4381 45.7163 0.0000 176.1635 23 R 4.3145 8.2994 128.6095 54.8797 28.7155 175.8519 24 K 4.0215 8.1058 127.3261 57.2931 32.9033 176.1482 25 E 4.5034 9.1184 122.3735 55.2785 30.8140 175.9011 26 G 4.2651 7.6955 125.9754 45.8006 0.0000 170.6590 27 T 4.4977 7.2524 117.7589 62.0549 71.1596 174.9034 28 Q 4.4696 8.4863 127.2151 54.5121 28.5152 174.3757 29 S 4.6673 8.1614 115.6526 57.5010 64.0298 175.6028 30 L 4.1161 7.8244 122.6418 57.7407 42.4122 174.8192 31 P 4.4344 0.0000 0.0000 62.7572 31.2432 176.4237 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 2 S 8.32 4.54 0.00 3.89 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 S 8.51 5.13 0.00 4.11 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 4 E 8.66 4.59 0.00 2.02 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 2.26 2.23 0.00 5 K 8.31 4.45 0.00 1.71 1.78 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.41 7.81 6 E 7.98 4.32 0.00 1.98 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 2.24 2.28 0.00 7 Y 6.79 4.72 0.00 3.08 2.12 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 8 V 9.07 4.10 2.17 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 0.87 0.00 0.00 1.17 0.00 0.00 9 E 8.05 3.98 0.00 1.86 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 0.00 2.12 2.22 0.00 10 M 7.88 4.38 0.00 2.21 2.25 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 2.60 2.59 0.00 11 L 7.81 3.79 0.00 1.97 1.88 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.25 4.62 0.00 2.84 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.35 4.47 0.00 1.75 1.92 0.00 3.23 0.00 0.00 3.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.57 0.00 14 L 7.67 4.18 0.00 1.68 1.40 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.04 4.25 0.00 3.11 2.96 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 0.00 0.00 0.00 16 S 8.19 4.29 0.00 4.07 4.17 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 17 K 7.41 4.29 0.00 1.69 1.87 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.55 7.81 18 L 7.41 4.11 0.00 1.69 1.95 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.94 0.00 2.19 1.54 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 20 E 8.62 4.67 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 2.24 2.39 0.00 21 K 8.99 3.84 0.00 1.82 1.92 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.37 7.81 22 G 7.98 3.88 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 0.00 0.00 0.00 23 R 8.30 4.31 0.00 1.78 1.89 0.00 3.24 0.00 0.00 3.15 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 24 K 8.11 4.02 0.00 1.74 1.73 0.00 1.69 0.00 0.00 1.98 0.00 0.00 3.23 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.51 1.52 7.81 25 E 9.12 4.50 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 2.23 2.28 0.00 26 G 7.70 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 0.00 0.00 0.00 0.00 27 T 7.25 4.50 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 Q 8.49 4.47 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.31 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 29 S 8.16 4.67 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.82 4.12 0.00 1.61 1.69 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.43 0.00 2.08 1.95 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00