NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.2976 8.3044 120.3278 55.1693 32.6716 174.9309 5002 E 4.0827 8.6850 126.4889 54.6510 29.0229 169.8539 5003 V 4.5231 7.9903 118.7560 58.6936 36.3667 174.6829 5004 N 4.4901 8.4047 118.8526 53.9063 39.2319 174.4778 5005 Q 4.1604 8.5749 124.4281 58.5378 29.3047 177.3265 5006 L 4.5482 8.2405 115.9464 54.5566 41.8848 178.3858 5007 G 4.3353 8.0074 107.6076 48.3997 0.0000 175.4693 5008 F 3.9277 8.3339 120.3342 60.1155 38.5714 177.7168 5009 I 4.1055 7.9596 118.7412 64.8179 37.0285 176.9225 5010 A 4.3358 9.4902 124.0004 53.2096 17.7330 179.2466 5011 T 3.7686 7.6700 115.8471 66.7411 69.4609 175.7156 5012 A 4.0109 8.5979 122.1941 55.5235 18.2988 179.2294 5013 L 3.7732 8.1451 115.1868 57.9367 41.7143 179.8993 5014 F 4.0723 8.2236 119.7176 61.1141 39.6528 177.0509 5015 V 3.7920 8.6512 118.6876 65.8830 31.5513 178.1581 5016 L 4.0793 7.8159 118.1217 57.3556 41.2926 179.7585 5017 V 3.6054 7.7344 118.2199 65.2751 31.8479 175.9640 5018 P 4.4675 0.0000 0.0000 65.5850 31.4483 178.0253 5019 S 3.9861 7.8389 112.5707 61.3690 62.2468 176.2799 5020 V 3.6469 7.7661 120.6650 66.3228 31.0728 177.2737 5021 F 4.4169 8.2325 120.4785 61.0229 39.2147 176.6489 5022 L 3.4952 7.7795 117.6905 57.9653 41.5934 179.3624 5023 I 3.6418 7.9871 119.6891 64.9565 37.0926 177.8964 5024 I 3.6960 8.0580 120.2361 64.8398 36.5659 178.2881 5025 L 3.9926 8.2145 119.5136 57.9525 41.3526 178.9677 5026 Y 3.9259 7.8651 119.7983 60.3356 38.7783 177.3227 5027 V 3.6275 7.9804 118.3409 64.8781 31.7407 177.4149 5028 Q 4.1507 8.0680 116.6070 59.3312 29.0214 177.6168 5029 T 4.9503 7.0172 118.3131 64.9448 68.8721 176.1293 5030 E 4.0199 8.2701 118.5710 57.1629 29.6987 177.4158 5031 S 5.5179 7.2408 113.5289 58.4813 63.5689 175.6602 5032 Q 3.9497 8.0829 124.4853 59.5100 28.6195 177.8447 5033 Q 4.1527 7.9311 114.3225 55.6874 29.0054 177.2871 5034 K 4.1746 7.8701 119.0288 56.3349 32.8329 176.5001 5035 S 4.2736 7.3030 113.0071 59.5390 63.7720 174.5886 5036 S 4.6097 8.7428 116.6247 59.0451 62.0638 169.8753 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 5001 M 8.30 4.30 0.00 2.03 2.12 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 5002 E 8.68 4.08 0.00 2.01 1.89 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 2.26 2.40 0.00 5003 V 7.99 4.52 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 0.81 0.00 0.00 0.95 0.00 0.00 5004 N 8.40 4.49 0.00 2.67 2.72 0.00 0.00 6.89 7.08 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 5005 Q 8.57 4.16 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 5006 L 8.24 4.55 0.00 1.75 1.70 0.94 1.05 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 5007 G 8.01 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5008 F 8.33 3.93 0.00 3.09 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5009 I 7.96 4.11 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.99 0.96 0.00 0.00 5010 A 9.49 4.34 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 5011 T 7.67 3.77 4.36 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 1.14 0.00 0.00 5012 A 8.60 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5013 L 8.15 3.77 0.00 2.00 1.82 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 5014 F 8.22 4.07 0.00 3.19 3.33 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 5015 V 8.65 3.79 2.21 0.00 0.00 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 0.00 0.00 1.14 0.00 0.00 5016 L 7.82 4.08 0.00 1.76 1.73 0.97 0.82 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 5017 V 7.73 3.61 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 5018 P 0.00 4.47 0.00 2.22 2.12 0.00 3.63 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.81 0.00 5019 S 7.84 3.99 0.00 4.15 3.87 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 0.00 0.00 0.00 5020 V 7.77 3.65 2.23 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 1.08 0.00 0.00 1.03 0.00 0.00 5021 F 8.23 4.42 0.00 3.04 3.18 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 5022 L 7.78 3.50 0.00 1.73 1.57 0.83 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 5023 I 7.99 3.64 2.08 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.23 0.93 0.00 0.00 5024 I 8.06 3.70 2.21 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.94 1.00 0.00 0.00 5025 L 8.21 3.99 0.00 1.62 1.65 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 5026 Y 7.87 3.93 0.00 3.07 3.05 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 0.00 0.00 0.00 5027 V 7.98 3.63 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 0.96 0.00 0.00 1.22 0.00 0.00 5028 Q 8.07 4.15 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 5029 T 7.02 4.95 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 1.17 0.00 0.00 5030 E 8.27 4.02 0.00 1.16 1.74 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 2.22 2.25 0.00 5031 S 7.24 5.52 0.00 4.04 4.07 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 0.00 0.00 0.00 5032 Q 8.08 3.95 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.94 0.00 0.00 0.00 0.00 0.00 2.72 2.42 0.00 5033 Q 7.93 4.15 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 5.68 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 5034 K 7.87 4.17 0.00 1.91 1.98 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.31 1.40 7.81 5035 S 7.30 4.27 0.00 3.99 3.97 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 0.00 0.00 0.00 5036 S 8.74 4.61 0.00 3.93 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00