NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.7040 8.4249 118.2167 52.4578 39.5412 174.3581 3 Q 4.3483 7.6740 117.5048 55.2787 29.3646 175.9178 4 G 3.7198 8.8268 111.2138 48.3116 0.0000 175.5007 5 K 4.2750 7.9375 117.7235 57.5348 32.2745 178.5230 6 I 3.5504 7.3821 120.0194 63.5055 37.5144 177.3195 7 W 5.2630 7.4120 120.0524 58.2527 28.9797 177.5341 8 T 4.2755 7.8676 108.9077 62.9231 68.6244 175.0424 9 V 4.2438 7.9896 120.3053 62.8240 34.0348 175.3926 10 V 4.4882 7.6054 118.6468 60.4085 33.4790 171.9300 11 P 4.5923 0.0000 0.0000 61.9938 29.7518 175.4289 12 P 3.4304 0.0000 0.0000 64.8421 31.3184 178.3082 13 A 4.1871 8.0075 120.8345 53.5435 19.1472 178.2330 14 F 4.9106 9.1819 112.4590 58.4803 39.3017 178.3422 15 G 3.1211 7.4401 105.5379 46.7267 0.0000 175.4866 16 L 3.9454 7.7358 122.8975 57.5976 42.2408 177.1573 17 P 4.2513 0.0000 0.0000 65.9817 30.9190 177.3487 18 L 3.8973 7.7428 119.7686 58.1180 41.9370 178.4098 19 M 3.9816 8.1294 118.1083 58.9169 32.1621 179.1655 20 L 4.1501 8.4161 119.1155 57.5689 41.6548 179.8554 21 G 3.5847 8.3172 105.6868 47.8394 0.0000 175.7088 22 A 4.0366 8.0883 123.3011 54.4643 18.2347 179.6621 23 V 3.4943 7.9279 116.8540 66.2893 31.6314 177.8318 24 A 3.9843 7.9772 120.1900 55.3885 18.1542 179.6424 25 I 3.6154 8.0863 118.2526 65.0003 37.1914 178.5128 26 T 3.8592 8.2142 116.5734 67.0532 68.3084 176.3838 27 A 4.0480 8.3664 122.5157 54.8769 18.3331 179.7956 28 L 3.9273 7.7360 117.2807 57.8584 41.7309 179.1787 29 L 3.9506 8.0389 119.0288 58.2750 41.6674 179.8101 30 V 3.7043 8.1217 117.7947 66.5713 31.3114 177.5512 31 H 4.1256 8.8050 115.7387 58.7714 28.3803 177.6029 32 A 3.9631 8.4269 122.4382 55.7005 18.6784 179.0297 33 A 3.9905 8.7364 119.7210 55.0175 18.0827 179.5847 34 V 3.5791 7.9600 115.0619 66.2636 31.3673 178.4824 35 L 4.0226 8.4520 119.6598 57.1412 41.9242 177.9534 36 T 4.5300 8.0751 107.2014 61.5972 69.1099 174.3121 37 H 4.8603 7.7979 116.3689 55.8532 30.6983 172.4555 38 T 4.6841 7.4280 108.7434 59.9866 71.5446 173.7143 39 T 4.2720 8.2677 110.5318 62.4080 70.0260 176.6936 40 W 4.5619 7.5640 119.9617 59.4467 28.5546 176.6490 41 Y 4.1513 6.1364 117.9567 61.3941 37.9082 177.6231 42 A 3.9880 7.8972 120.1547 55.1641 18.5636 179.1145 43 A 4.0240 8.4956 119.5950 55.4707 18.2241 179.2950 44 F 4.2787 8.2223 117.6225 61.8430 39.5831 177.1797 45 L 3.9322 7.6725 115.1648 56.3044 41.4256 177.2077 46 Q 4.1793 8.0386 123.4779 55.8867 28.8747 175.2911 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 2 N 8.42 4.70 0.00 2.83 3.00 0.00 0.00 5.92 6.50 0.00 0.00 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 Q 7.67 4.35 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 6.89 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 4 G 8.83 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 5 K 7.94 4.27 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.36 7.81 6 I 7.38 3.55 1.59 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.32 -0.27 0.00 0.00 7 W 7.41 5.26 0.00 3.34 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 8 T 7.87 4.28 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 1.28 0.00 0.00 9 V 7.99 4.24 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 0.79 0.00 0.00 0.93 0.00 0.00 10 V 7.61 4.49 2.18 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 1.30 0.00 0.00 1.01 0.00 0.00 11 P 0.00 4.59 0.00 2.55 2.16 0.00 4.03 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 12 P 0.00 3.43 0.00 1.64 1.05 0.00 3.80 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.81 0.00 13 A 8.01 4.19 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 14 F 9.18 4.91 0.00 3.27 3.31 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 15 G 7.44 3.12 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 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.74 3.95 0.00 1.55 1.50 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.25 0.00 2.38 2.30 0.00 3.51 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 18 L 7.74 3.90 0.00 1.85 1.71 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 M 8.13 3.98 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.64 0.00 20 L 8.42 4.15 0.00 1.65 1.71 0.91 0.77 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 21 G 8.32 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.09 4.04 1.37 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 0.00 0.00 0.00 23 V 7.93 3.49 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 1.09 0.00 0.00 0.98 0.00 0.00 24 A 7.98 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.62 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.44 0.92 0.00 0.00 26 T 8.21 3.86 4.45 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 1.22 0.00 0.00 27 A 8.37 4.05 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 28 L 7.74 3.93 0.00 1.85 1.73 0.92 0.73 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 29 L 8.04 3.95 0.00 1.88 1.75 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.12 3.70 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 1.03 0.00 0.00 0.99 0.00 0.00 31 H 8.81 4.13 0.00 3.51 3.51 0.00 5.90 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 8.43 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.74 3.99 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 34 V 7.96 3.58 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.91 0.00 0.00 35 L 8.45 4.02 0.00 1.46 1.77 -0.22 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.08 4.53 4.17 0.00 0.00 0.00 0.00 0.00 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 37 H 7.80 4.86 0.00 3.03 3.28 0.00 5.83 0.00 0.00 0.00 0.00 7.21 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 4.68 3.53 0.00 0.00 0.00 0.00 0.00 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 39 T 8.27 4.27 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 1.25 0.00 0.00 40 W 7.56 4.56 0.00 3.63 3.45 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 41 Y 6.14 4.15 0.00 1.87 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.90 3.99 1.24 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 0.00 0.00 43 A 8.50 4.02 1.55 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 0.00 0.00 44 F 8.22 4.28 0.00 3.36 3.76 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 45 L 7.67 3.93 0.00 1.71 1.65 0.75 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.04 4.18 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00