NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3161 8.2649 123.5820 51.6695 20.5170 176.1064 2 V 4.3110 7.2157 105.1192 57.4668 35.5727 172.9043 3 Q 3.9342 8.8609 118.9806 57.5030 29.0694 175.5963 4 Q 4.3727 8.5546 123.1640 55.2678 29.1832 174.3221 5 N 4.4726 7.4643 111.2429 52.3011 41.7647 173.8837 6 K 3.9965 8.7422 127.4957 55.6405 32.7140 174.6656 7 P 4.4508 0.0000 0.0000 63.0533 32.1303 175.5134 8 T 4.6139 7.9730 109.5631 60.9152 71.3295 174.2870 9 R 4.4459 8.2857 115.1629 57.5928 30.6769 178.0490 10 S 4.0574 7.8698 113.9366 61.3056 62.6065 175.7709 11 K 3.9290 8.5214 122.8119 59.3593 31.6687 178.6555 12 R 4.0997 8.0567 118.1262 59.2619 30.1987 178.3330 13 G 3.6910 7.9434 105.1995 47.9707 0.0000 175.2127 14 M 3.9824 8.2694 122.2693 58.1478 31.9425 179.1068 15 R 3.9975 8.4500 116.7619 58.6091 30.2764 177.6243 16 R 4.7585 8.7242 118.3842 55.7503 30.4313 178.0621 17 S 4.0356 7.7259 113.8396 61.9580 62.7282 175.9754 18 H 4.4396 8.1818 114.3040 56.7264 28.7215 175.0891 19 D 4.6985 9.1792 120.9887 53.9289 40.7337 175.9601 20 A 4.2144 7.3950 122.8454 52.0666 19.5762 179.7332 21 L 4.5592 8.1418 126.1892 54.0984 41.1294 177.0042 22 T 4.3509 7.9790 119.0450 62.0935 69.8914 173.1969 23 A 4.4054 8.2839 129.0084 51.6281 20.2301 176.8058 24 V 4.0398 8.1621 115.2558 62.7011 33.3615 175.5691 25 T 3.0796 8.0345 113.5981 64.7948 64.4488 170.9295 26 S 3.7024 7.9751 119.1375 58.0963 62.7976 171.8659 27 L 4.9792 7.9736 119.3531 53.1528 45.0682 177.3154 28 S 4.7600 8.2256 115.8869 58.0614 66.1115 172.7644 29 V 5.0938 7.9568 117.5322 60.8210 33.8742 173.9428 30 D 4.4839 8.7984 124.2616 54.1689 41.7054 175.9568 31 K 3.9224 8.8530 125.8465 59.9160 31.8459 177.6927 32 T 3.6182 7.6427 111.4178 67.7519 69.4619 178.1399 33 S 4.6133 7.2906 130.7449 58.5933 62.2614 176.4862 34 G 4.0994 8.2727 115.8263 46.5435 0.0000 171.2395 35 E 4.4871 8.1732 120.3720 54.6276 31.2202 175.8578 36 K 5.4504 9.0705 124.6469 56.3771 33.0192 175.6964 37 H 5.1983 8.7638 121.1471 53.1584 31.9020 173.5309 38 L 4.1988 8.7091 119.5885 55.0337 42.0035 177.3743 39 R 3.8739 8.3141 122.4158 57.4398 30.6129 175.5728 40 H 4.3001 9.7024 119.8164 56.6713 25.6140 173.8682 41 H 4.7874 8.3299 113.4640 55.0762 30.9730 171.8322 42 I 4.1600 7.7693 120.2181 59.9320 38.1630 176.2853 43 T 4.1806 8.1079 114.9878 60.9309 69.4949 175.2569 44 A 4.0632 8.4789 123.7775 54.5733 18.4302 178.0132 45 D 4.9610 7.7075 112.8855 53.3853 41.7073 177.1256 46 G 3.7221 8.0876 107.9396 45.7209 0.0000 173.3096 47 Y 4.8792 7.6598 117.3379 57.1904 38.6085 173.6975 48 Y 5.3469 7.9589 121.0202 57.9262 44.1524 175.9338 49 R 4.5957 7.7643 116.6538 55.9193 30.5426 175.1323 50 G 4.0950 9.5740 112.0914 46.8816 0.0000 171.1043 51 R 4.5954 7.7394 118.4272 53.7779 33.3884 174.1087 52 K 4.4126 8.7242 123.2383 55.1698 34.4653 174.9404 53 V 4.1907 8.2307 120.3181 61.4067 32.4713 178.7243 54 I 3.3946 8.3215 114.2597 62.6988 39.2979 175.1165 55 A 4.3328 8.7837 128.4533 52.8222 21.4544 177.4448 56 K 4.1493 7.4270 119.5186 56.8270 32.1269 177.0538 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 A 8.26 4.32 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 2 V 7.22 4.31 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 0.77 0.00 0.00 0.93 0.00 0.00 3 Q 8.86 3.93 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.30 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 4 Q 8.55 4.37 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 5 N 7.46 4.47 0.00 2.66 2.62 0.00 0.00 7.06 6.68 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 6 K 8.74 4.00 0.00 1.75 1.71 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 P 0.00 4.45 0.00 2.08 2.00 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 8 T 7.97 4.61 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 9 R 8.29 4.45 0.00 2.03 2.19 0.00 2.96 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 10 S 7.87 4.06 0.00 3.91 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.52 3.93 0.00 1.86 1.79 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.49 7.81 12 R 8.06 4.10 0.00 1.94 2.04 0.00 3.30 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 13 G 7.94 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.27 3.98 0.00 2.06 2.29 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 15 R 8.45 4.00 0.00 1.75 2.21 0.00 3.24 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 16 R 8.72 4.76 0.00 2.04 1.94 0.00 3.32 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 17 S 7.73 4.04 0.00 4.03 4.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.44 0.00 3.15 3.40 0.00 5.69 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.18 4.70 0.00 2.68 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 20 A 7.39 4.21 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 4.56 0.00 1.65 1.41 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 T 7.98 4.35 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 23 A 8.28 4.41 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.16 4.04 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 0.86 0.00 0.00 0.93 0.00 0.00 25 T 8.03 3.08 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 26 S 7.98 3.70 0.00 4.00 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 27 L 7.97 4.98 0.00 1.49 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.23 4.76 0.00 3.91 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 29 V 7.96 5.09 2.11 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 0.96 0.00 0.00 0.97 0.00 0.00 30 D 8.80 4.48 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.85 3.92 0.00 1.76 1.86 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.46 7.81 32 T 7.64 3.62 4.11 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 1.11 0.00 0.00 33 S 7.29 4.61 0.00 3.54 3.24 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 0.00 34 G 8.27 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.17 4.49 0.00 1.94 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 2.35 2.24 0.00 36 K 9.07 5.45 0.00 1.79 1.89 0.00 1.15 0.00 0.00 2.43 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.30 7.81 37 H 8.76 5.20 0.00 3.39 3.48 0.00 5.47 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.71 4.20 0.00 0.91 1.47 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.31 3.87 0.00 1.74 1.86 0.00 3.14 0.00 0.00 2.42 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 40 H 9.70 4.30 0.00 3.39 3.53 0.00 5.97 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.33 4.79 0.00 3.23 3.30 0.00 5.51 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.77 4.16 1.69 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.63 0.81 0.00 0.00 43 T 8.11 4.18 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 44 A 8.48 4.06 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 45 D 7.71 4.96 0.00 3.17 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 46 G 8.09 3.72 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 0.00 0.00 0.00 47 Y 7.66 4.88 0.00 3.15 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 Y 7.96 5.35 0.00 2.75 2.78 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 0.00 0.00 0.00 49 R 7.76 4.60 0.00 1.83 1.67 0.00 2.22 0.00 0.00 2.97 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.50 0.00 50 G 9.57 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 4.60 0.00 2.16 1.87 0.00 3.14 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 52 K 8.72 4.41 0.00 1.78 1.65 0.00 1.59 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.49 0.83 7.81 53 V 8.23 4.19 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 0.72 0.00 0.00 0.90 0.00 0.00 54 I 8.32 3.39 1.81 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 1.17 0.40 0.85 0.00 0.00 55 A 8.78 4.33 1.22 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 0.00 0.00 56 K 7.43 4.15 0.00 1.77 1.71 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.36 7.81