NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 S 4.4423 8.1927 116.7930 58.2402 64.6530 174.0653 13 L 3.9735 8.1941 122.0296 57.2650 41.8791 176.8979 14 R 3.9896 8.7043 119.6439 59.2160 30.5495 177.7059 15 E 4.0533 8.1267 118.2121 59.2394 29.4880 178.6754 16 C 4.1521 7.7691 117.6077 62.3010 31.6577 175.1331 17 E 3.9390 8.1306 120.8767 59.2363 29.1783 178.4215 18 L 3.9480 8.0323 120.2926 58.4438 42.1674 178.3672 19 Y 4.0075 8.1673 119.3617 60.5965 38.7454 177.9694 20 V 3.6485 8.1338 119.2470 66.1480 31.7590 177.9989 21 Q 3.9999 8.1937 120.0152 59.7388 28.4481 179.7228 22 K 4.0308 8.0829 123.1605 58.9840 31.6201 179.1984 23 H 4.8329 7.5367 113.6026 55.1767 29.2915 173.9840 24 N 4.2028 7.9478 114.9346 53.7657 36.8831 176.8013 25 I 3.7923 7.7441 120.5762 64.5080 37.2867 177.6614 26 Q 3.9662 8.0949 119.7817 59.2367 28.9441 178.0947 27 A 4.0695 7.9839 121.3210 54.7980 18.4476 179.1124 28 L 4.0169 8.0767 119.0773 58.4192 42.1043 179.2410 29 L 4.0912 8.2023 118.9171 57.6375 41.4935 179.2658 30 K 3.8909 8.1178 119.5072 59.8733 32.1513 178.5264 31 D 4.3956 8.4049 119.3568 57.3664 40.6472 178.9873 32 S 3.4699 8.1137 114.9074 61.1866 62.9447 176.7196 33 I 3.6441 8.0888 123.7978 63.9199 36.9336 178.2535 34 V 3.5463 7.9566 119.3986 66.2330 31.2753 178.1224 35 Q 3.9640 7.9424 117.3849 58.9053 28.5118 178.2784 36 L 3.4283 7.9083 121.4476 58.5660 41.8237 178.9363 37 C 3.6255 8.0124 114.9201 62.5531 28.0730 175.9010 38 T 4.0093 7.4293 116.4926 66.1128 68.1388 176.1680 39 A 4.0887 7.8407 121.3743 52.7082 20.4684 177.7660 40 R 3.4578 8.1068 114.2055 56.8155 27.9349 174.5241 41 P 4.3816 0.0000 0.0000 61.8817 32.7760 176.8549 42 E 4.0133 8.8959 121.7242 59.3938 29.6448 178.5137 43 R 4.5086 7.5886 119.4195 53.1875 31.7516 174.1243 44 P 4.3729 0.0000 0.0000 65.2779 31.4906 178.3384 45 M 4.0911 8.1028 117.1666 58.3939 32.0088 178.2218 46 A 4.0592 8.1104 120.3879 55.2509 18.4475 179.3248 47 F 4.0183 8.2789 118.8402 61.4853 39.4692 177.3967 48 L 4.0041 8.7647 119.0644 57.6027 41.3726 179.2582 49 R 4.0211 8.5305 119.1672 59.8745 29.9763 178.5042 50 E 3.9867 8.1462 118.1348 59.2733 29.4475 178.7639 51 Y 3.7461 7.9131 119.8809 60.7427 38.8316 178.2599 52 F 4.0817 8.1653 118.8007 60.1885 39.1183 177.1734 53 E 3.9168 8.6561 119.6061 59.2772 29.4413 178.9264 54 K 3.8595 8.0813 119.4961 59.5943 32.3407 178.8675 55 L 3.9212 7.5724 119.0665 57.5302 41.2110 179.0542 56 E 3.9562 8.5815 119.0870 59.2385 29.7057 178.7805 57 K 4.1310 7.9950 118.2934 59.1582 32.0267 179.2083 58 E 3.9852 7.9780 118.4981 59.4811 29.2203 178.7311 59 E 4.3860 7.8163 113.7719 56.9007 29.3192 177.1350 60 A 4.5942 7.6483 125.2407 53.4761 21.2859 177.9000 61 K 4.1499 7.8334 121.2048 55.1798 32.9413 178.8422 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 12 S 8.19 4.44 0.00 4.00 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 13 L 8.19 3.97 0.00 1.84 1.65 0.93 0.47 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 14 R 8.70 3.99 0.00 1.97 1.91 0.00 3.30 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 15 E 8.13 4.05 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 2.42 2.37 0.00 16 C 7.77 4.15 0.00 3.05 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 17 E 8.13 3.94 0.00 2.31 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 2.33 2.34 0.00 18 L 8.03 3.95 0.00 2.02 1.90 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.17 4.01 0.00 3.27 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 20 V 8.13 3.65 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.11 0.00 0.00 21 Q 8.19 4.00 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.57 0.00 0.00 0.00 0.00 0.00 2.67 2.53 0.00 22 K 8.08 4.03 0.00 1.85 1.73 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.35 7.81 23 H 7.54 4.83 0.00 2.75 3.11 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.95 4.20 0.00 2.86 2.82 0.00 0.00 7.04 6.77 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 25 I 7.74 3.79 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.02 0.98 0.00 0.00 26 Q 8.09 3.97 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 27 A 7.98 4.07 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.02 0.00 1.94 1.92 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.20 4.09 0.00 2.00 1.76 0.97 0.98 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 30 K 8.12 3.89 0.00 1.96 2.02 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.66 7.81 31 D 8.40 4.40 0.00 3.01 2.85 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 32 S 8.11 3.47 0.00 3.85 4.31 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 33 I 8.09 3.64 2.00 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 1.40 0.66 0.89 0.00 0.00 34 V 7.96 3.55 2.24 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 1.03 0.00 0.00 0.99 0.00 0.00 35 Q 7.94 3.96 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.52 0.00 0.00 0.00 0.00 0.00 2.49 2.41 0.00 36 L 7.91 3.43 0.00 1.92 1.63 0.67 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.01 3.63 0.00 3.00 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 38 T 7.43 4.01 4.37 0.00 0.00 0.00 0.00 0.00 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 39 A 7.84 4.09 0.90 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 0.00 0.00 40 R 8.11 3.46 0.00 1.74 1.83 0.00 3.11 0.00 0.00 3.17 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.61 0.00 41 P 0.00 4.38 0.00 1.93 1.89 0.00 3.46 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.00 0.00 42 E 8.90 4.01 0.00 1.95 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 0.00 2.32 2.36 0.00 43 R 7.59 4.51 0.00 1.84 1.87 0.00 3.15 0.00 0.00 3.36 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 44 P 0.00 4.37 0.00 2.19 2.07 0.00 3.62 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 45 M 8.10 4.09 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.59 0.00 46 A 8.11 4.06 1.43 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 47 F 8.28 4.02 0.00 3.21 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.76 4.00 0.00 2.03 2.03 1.06 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.53 4.02 0.00 1.99 2.20 0.00 3.12 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 50 E 8.15 3.99 0.00 2.03 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 2.30 2.42 0.00 51 Y 7.91 3.75 0.00 2.38 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 52 F 8.17 4.08 0.00 3.17 3.03 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 53 E 8.66 3.92 0.00 2.07 2.13 0.00 0.00 0.00 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 2.33 0.00 54 K 8.08 3.86 0.00 1.84 1.73 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.41 7.81 55 L 7.57 3.92 0.00 1.76 1.62 0.38 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.58 3.96 0.00 1.99 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 2.35 0.00 57 K 7.99 4.13 0.00 2.03 1.82 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.62 7.81 58 E 7.98 3.99 0.00 2.15 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 2.29 2.49 0.00 59 E 7.82 4.39 0.00 1.97 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 2.41 2.46 0.00 60 A 7.65 4.59 1.31 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 0.00 0.00 61 K 7.83 4.15 0.00 1.69 1.51 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.30 1.25 7.81