NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2271 8.2493 123.5821 51.4136 19.8679 176.1788 2 P 4.3464 0.0000 0.0000 60.8397 31.6976 173.5850 3 D 4.8054 8.1514 123.2823 51.7221 44.4059 177.4290 4 V 3.8077 8.3062 119.4562 64.9128 31.3014 179.8215 5 S 4.5955 8.1625 117.1009 55.7741 61.6850 174.1034 6 S 5.9653 10.7700 127.0775 58.7140 66.0964 177.2431 7 A 4.6480 7.6386 117.7136 52.3900 20.2957 177.2410 8 L 4.7235 7.8640 116.8659 56.2686 41.6920 177.7726 9 D 4.3870 8.0271 118.4166 57.2097 41.3033 177.6262 10 K 4.1074 7.9413 119.1284 59.1850 32.2247 178.5240 11 L 3.9288 7.9114 119.9001 58.3416 41.5602 178.7203 12 K 3.8067 8.1795 119.3425 59.8331 32.0079 178.2510 13 E 3.7665 8.4923 119.6268 58.8728 28.9968 178.5161 14 F 4.1981 8.4447 121.5385 60.9943 39.0952 176.6437 15 G 4.0246 7.4289 103.0559 45.1137 0.0000 174.5044 16 N 4.5263 7.3421 118.1659 55.7026 40.0797 177.2513 17 T 4.3416 8.6520 113.4085 61.9234 67.7851 176.7325 18 L 3.6823 8.1256 118.6519 57.6657 42.6069 176.8130 19 E 3.8648 8.3239 118.7952 59.7832 29.4153 177.9263 20 D 4.4193 8.4688 117.9742 57.4197 40.9940 179.0991 21 K 3.9737 7.8700 118.7156 59.2533 32.6636 177.9574 22 A 4.1521 8.2434 121.4545 55.3077 18.3256 179.7577 23 W 3.7364 8.3037 117.0733 59.6615 29.0214 178.3866 24 E 4.1105 8.4375 119.3141 59.0114 28.9319 178.8795 25 V 3.7026 7.8463 118.2841 65.4436 31.5975 177.8509 26 I 3.5902 7.6673 119.5399 63.7365 36.9156 177.2425 27 N 4.5157 7.9516 117.9632 55.2601 38.6989 176.4420 28 R 4.3055 7.9652 116.1725 57.5607 30.3181 177.6185 29 I 4.2005 7.4604 119.5933 62.4902 37.1079 177.5544 30 K 4.0159 8.0360 121.0275 59.3477 31.8281 178.9475 31 Q 4.2718 7.6570 115.8642 58.5698 28.6997 177.4157 32 S 4.4366 7.1375 112.9019 57.5105 62.9377 173.1868 33 E 4.5534 8.6066 122.3012 56.8391 28.3544 175.8890 34 F 3.7815 8.2349 119.3326 58.6778 37.8568 174.0829 35 P 4.2108 0.0000 0.0000 65.1309 32.8114 178.2905 36 A 3.8091 7.2690 121.9916 53.5023 16.3507 177.9396 37 K 4.4870 7.9770 131.4143 55.9856 32.2610 176.6846 38 T 4.2143 8.4480 113.5921 63.4345 69.1926 173.2730 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 8.25 4.23 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.35 0.00 2.29 2.09 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 3 D 8.15 4.81 0.00 2.90 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 3.81 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 0.72 0.00 0.00 0.93 0.00 0.00 5 S 8.16 4.60 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 S 10.77 5.97 0.00 3.95 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 7 A 7.64 4.65 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 8 L 7.86 4.72 0.00 1.79 1.86 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.03 4.39 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.94 4.11 0.00 1.81 1.82 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.44 7.81 11 L 7.91 3.93 0.00 1.68 1.69 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.18 3.81 0.00 1.95 1.97 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 13 E 8.49 3.77 0.00 2.34 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 14 F 8.44 4.20 0.00 2.70 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.43 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.34 4.53 0.00 2.94 2.97 0.00 0.00 7.05 7.57 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 17 T 8.65 4.34 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 18 L 8.13 3.68 0.00 1.74 1.51 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.32 3.86 0.00 2.11 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 2.47 2.41 0.00 20 D 8.47 4.42 0.00 3.18 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 21 K 7.87 3.97 0.00 1.75 1.94 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.52 7.81 22 A 8.24 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.30 3.74 0.00 3.47 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.44 4.11 0.00 2.24 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 2.34 2.37 0.00 25 V 7.85 3.70 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 1.09 0.00 0.00 0.92 0.00 0.00 26 I 7.67 3.59 1.90 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 1.02 0.57 0.71 0.00 0.00 27 N 7.95 4.52 0.00 2.76 2.90 0.00 0.00 6.78 8.01 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 28 R 7.97 4.31 0.00 1.99 2.04 0.00 3.09 0.00 0.00 3.21 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 29 I 7.46 4.20 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.56 0.82 0.00 0.00 30 K 8.04 4.02 0.00 1.99 1.80 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.44 7.81 31 Q 7.66 4.27 0.00 2.30 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.55 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 32 S 7.14 4.44 0.00 4.04 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 33 E 8.61 4.55 0.00 2.11 2.36 0.00 0.00 0.00 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 2.10 0.00 34 F 8.23 3.78 0.00 2.71 2.41 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 0.00 0.00 0.00 0.00 35 P 0.00 4.21 0.00 2.25 2.26 0.00 3.77 0.00 0.00 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 36 A 7.27 3.81 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 7.98 4.49 0.00 1.81 1.21 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.41 7.81 38 T 8.45 4.21 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