NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6712 8.2076 120.5396 54.5967 43.3868 177.4957 2 Y 4.0018 8.1801 117.8810 59.5772 37.7929 176.7957 3 L 3.6016 7.4797 121.5360 57.4980 42.2099 180.6843 4 R 3.9008 7.7737 117.4632 59.2189 29.9642 178.8747 5 E 4.0188 8.3852 118.6083 59.2326 29.4846 179.2983 6 L 3.9985 7.9044 119.1425 57.6371 41.6555 179.1796 7 L 3.9522 8.2205 120.6853 58.0165 42.0002 178.8571 8 K 3.8829 8.1393 119.4313 59.5133 32.1201 178.4698 9 L 4.0054 8.0293 119.1437 58.1051 41.6148 179.5028 10 E 4.0365 8.3058 118.1931 59.4696 29.1773 179.4924 11 L 4.0508 7.9289 118.0543 57.9094 41.7132 179.3103 12 Q 4.1260 8.3371 117.8875 58.8260 28.6130 178.5316 13 A 4.1396 8.2593 121.9116 54.8645 18.4073 179.4880 14 I 3.8387 7.9457 117.2664 63.8893 37.8882 177.8792 15 K 4.0069 7.8305 119.0498 58.9153 31.9982 178.6920 16 Q 4.0013 8.1306 118.6750 58.7324 28.6555 177.8213 17 Y 4.0839 7.8319 117.4120 60.9977 37.9929 178.3714 18 R 3.9490 8.4193 119.3730 59.2159 29.9844 178.4786 19 E 3.9233 7.9817 118.9475 59.5172 29.5024 178.8890 20 A 4.0601 8.1181 120.5660 55.0730 18.1882 179.3955 21 L 4.2123 7.9480 119.7038 57.7106 42.2159 178.6144 22 E 4.1191 8.2166 118.0785 59.3588 29.4024 178.5054 23 Y 4.4736 7.5644 118.9357 58.8222 39.3399 176.1267 24 V 4.1455 7.9010 120.2711 59.9118 34.3270 175.6236 25 K 4.4524 8.4140 129.7278 55.2029 30.8710 176.6667 26 L 4.2821 7.4606 121.5811 53.5556 43.6368 175.5844 27 P 4.2519 0.0000 0.0000 65.9634 31.3349 179.0640 28 V 3.6580 7.7262 117.2229 64.7674 31.3811 178.3064 29 L 4.0160 7.9626 118.9646 57.4459 41.5127 179.0998 30 A 3.9635 8.0136 120.7636 54.9933 18.3220 179.8041 31 K 3.8550 8.1064 116.9961 59.5725 32.1153 179.6087 32 I 3.4375 7.5413 119.9582 64.1294 36.9105 177.9908 33 L 3.7416 7.7254 121.1606 58.4020 41.8336 178.8879 34 E 3.8411 8.1235 118.1706 59.5439 29.3141 179.1525 35 D 4.1079 7.8411 118.7497 57.2903 40.8331 178.7209 36 E 3.7480 7.9570 119.1140 59.1435 29.4385 179.0534 37 E 3.9084 8.2369 118.9504 59.2478 29.4783 179.3361 38 K 3.6103 7.6972 119.5842 59.5989 32.0853 178.5440 39 H 4.2820 7.9219 116.5085 58.9831 28.5781 177.9089 40 I 3.7291 7.8003 121.5058 64.3611 36.8817 178.1222 41 E 3.9889 8.2619 120.1778 58.9398 29.4317 178.7945 42 W 4.5086 8.6730 119.4101 60.0213 29.2115 178.5006 43 L 4.0439 8.3507 118.9407 57.8421 40.8379 179.4687 44 E 3.9742 8.4261 117.8404 59.7340 29.7302 179.2104 45 T 4.0598 8.2770 116.2375 66.6457 68.3673 176.6198 46 I 3.9214 7.6523 113.1198 63.0252 37.8690 177.1904 47 L 4.2876 7.5514 119.1765 54.8706 41.7528 176.8880 48 G 4.0098 7.9068 113.8888 45.6402 0.0000 173.4632 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 D 8.21 4.67 0.00 2.84 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 2 Y 8.18 4.00 0.00 3.37 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.48 3.60 0.00 1.36 1.50 0.69 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.77 3.90 0.00 1.96 1.96 0.00 3.12 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 5 E 8.39 4.02 0.00 2.18 2.02 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 2.53 2.52 0.00 6 L 7.90 4.00 0.00 1.86 1.72 0.96 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.22 3.95 0.00 1.72 1.82 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.14 3.88 0.00 1.97 1.97 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.50 7.81 9 L 8.03 4.01 0.00 1.95 1.75 0.95 0.83 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 10 E 8.31 4.04 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 11 L 7.93 4.05 0.00 1.63 1.74 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.34 4.13 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 13 A 8.26 4.14 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.95 3.84 2.04 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 1.44 1.64 1.01 0.00 0.00 15 K 7.83 4.01 0.00 1.92 1.80 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 16 Q 8.13 4.00 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 17 Y 7.83 4.08 0.00 3.11 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.42 3.95 0.00 1.87 2.01 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.89 0.00 19 E 7.98 3.92 0.00 1.97 2.10 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 2.29 2.33 0.00 20 A 8.12 4.06 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 21 L 7.95 4.21 0.00 1.84 1.87 0.94 1.19 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 22 E 8.22 4.12 0.00 2.27 2.06 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 2.38 2.49 0.00 23 Y 7.56 4.47 0.00 2.86 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 24 V 7.90 4.15 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.89 0.00 0.00 25 K 8.41 4.45 0.00 1.72 1.76 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.45 7.81 26 L 7.46 4.28 0.00 1.76 1.59 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.25 0.00 2.14 2.11 0.00 3.59 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 28 V 7.73 3.66 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 0.89 0.00 0.00 0.92 0.00 0.00 29 L 7.96 4.02 0.00 1.91 1.86 1.02 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.01 3.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 3.86 0.00 1.96 1.81 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.63 7.81 32 I 7.54 3.44 1.64 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 1.25 0.79 -0.01 0.00 0.00 33 L 7.73 3.74 0.00 1.77 1.74 0.95 0.89 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 34 E 8.12 3.84 0.00 2.07 1.88 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 2.49 2.43 0.00 35 D 7.84 4.11 0.00 2.69 2.42 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 36 E 7.96 3.75 0.00 1.98 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 2.25 2.35 0.00 37 E 8.24 3.91 0.00 2.06 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 2.28 2.37 0.00 38 K 7.70 3.61 0.00 1.44 1.51 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.41 7.81 39 H 7.92 4.28 0.00 3.32 3.35 0.00 5.69 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 40 I 7.80 3.73 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 1.42 0.75 0.92 0.00 0.00 41 E 8.26 3.99 0.00 2.06 2.03 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 2.33 2.49 0.00 42 W 8.67 4.51 0.00 3.61 3.13 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 0.00 0.00 0.00 43 L 8.35 4.04 0.00 1.73 1.72 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.43 3.97 0.00 1.94 2.03 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 2.36 2.51 0.00 45 T 8.28 4.06 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 I 7.65 3.92 1.83 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 1.78 0.47 0.90 0.00 0.00 47 L 7.55 4.29 0.00 1.87 1.72 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.91 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00