NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2822 8.2544 120.8594 55.7524 32.1037 176.2215 2 M 4.3761 7.6967 115.3260 54.9216 34.0057 175.7275 3 K 3.9818 8.8100 120.7383 59.0736 32.7051 178.0430 4 Q 3.9800 8.0709 118.2955 59.0949 28.1658 178.4519 5 I 3.6718 7.3422 120.7830 64.3857 37.3050 177.3961 6 E 4.2876 8.0543 117.4016 57.3330 29.5188 177.2546 7 D 4.4676 7.8308 118.3321 57.1884 41.1027 178.5721 8 K 4.0660 8.4708 119.4847 58.8129 32.0839 179.3690 9 L 3.9243 7.5544 118.4336 58.0206 41.5808 179.1700 10 E 4.0633 8.0513 118.2246 59.6045 29.1994 179.3021 11 E 3.8938 7.5973 119.1719 59.1360 29.7803 178.8286 12 I 3.7526 7.9675 120.1965 64.3921 37.0779 177.6055 13 L 3.8037 8.3838 120.7238 57.1133 41.3367 179.2473 14 S 3.3802 8.1080 114.8483 61.9279 62.9586 176.9958 15 K 3.8486 7.6293 120.6067 59.8071 31.8689 179.1954 16 L 4.0122 7.8882 118.4216 57.9846 41.2681 179.5678 17 Y 4.3030 7.8136 117.0477 61.1687 37.8713 177.1049 18 H 4.2001 8.3154 119.1596 59.5593 29.9541 176.8884 19 I 3.6703 8.5899 121.6452 65.1246 37.1557 177.8205 20 E 3.8583 8.3111 118.3711 60.2934 29.2674 179.6261 21 N 4.4530 8.2191 115.8398 56.0318 38.5897 177.5564 22 E 3.8695 7.8713 120.0005 59.3772 29.4473 179.3315 23 L 3.7883 8.1507 118.8558 57.4010 41.5704 179.2080 24 A 3.9684 7.7465 120.4180 55.1935 18.3497 179.4018 25 R 3.8031 8.4948 117.4426 59.9290 30.1924 178.5614 26 I 3.7573 8.4318 120.3215 64.3795 36.8429 178.5470 27 K 3.9559 8.5220 118.6891 59.3498 32.1255 179.1579 28 K 4.0795 8.2625 118.7799 59.5860 31.8206 179.0144 29 L 3.9371 8.0028 118.0680 58.1650 41.7444 179.3683 30 L 4.3518 8.1339 115.9942 55.0694 41.8744 177.2527 31 G 3.5110 7.6916 113.0652 45.5657 0.0000 172.4336 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 R 8.25 4.28 0.00 1.76 2.02 0.00 3.20 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.68 0.00 2 M 7.70 4.38 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.65 0.00 3 K 8.81 3.98 0.00 1.86 1.79 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.59 1.57 7.81 4 Q 8.07 3.98 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 5 I 7.34 3.67 2.01 0.00 0.00 0.86 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 1.10 0.91 0.00 0.00 6 E 8.05 4.29 0.00 2.07 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 2.34 2.55 0.00 7 D 7.83 4.47 0.00 3.05 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.47 4.07 0.00 1.75 1.83 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.57 7.81 9 L 7.55 3.92 0.00 1.87 1.69 1.09 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.05 4.06 0.00 1.97 1.99 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 2.56 2.48 0.00 11 E 7.60 3.89 0.00 2.05 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 2.26 2.30 0.00 12 I 7.97 3.75 1.98 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 1.49 0.96 0.88 0.00 0.00 13 L 8.38 3.80 0.00 1.62 1.17 0.97 0.89 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 14 S 8.11 3.38 0.00 3.65 3.82 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 15 K 7.63 3.85 0.00 1.89 1.83 0.00 1.50 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.51 7.81 16 L 7.89 4.01 0.00 1.86 1.80 0.94 1.00 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 17 Y 7.81 4.30 0.00 3.07 2.83 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 18 H 8.32 4.20 0.00 3.22 3.56 0.00 5.81 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 8.59 3.67 2.05 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.77 0.93 0.00 0.00 20 E 8.31 3.86 0.00 2.38 2.01 0.00 0.00 0.00 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 2.68 0.00 21 N 8.22 4.45 0.00 2.75 2.85 0.00 0.00 7.17 7.38 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 22 E 7.87 3.87 0.00 2.08 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 2.24 2.27 0.00 23 L 8.15 3.79 0.00 1.86 1.71 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.75 3.97 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 25 R 8.49 3.80 0.00 2.06 2.09 0.00 3.10 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 26 I 8.43 3.76 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.95 0.91 0.00 0.00 27 K 8.52 3.96 0.00 1.89 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.48 7.81 28 K 8.26 4.08 0.00 1.85 1.85 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.76 1.63 7.81 29 L 8.00 3.94 0.00 1.74 1.76 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.13 4.35 0.00 1.85 1.71 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.69 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00