NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6154 8.3044 118.3346 55.0889 32.6960 174.6664 2 K 4.0392 8.8850 123.0418 57.1438 34.0971 173.2884 3 V 4.6534 9.2139 117.5789 59.9973 33.5484 175.3630 4 R 3.9559 9.5682 127.8518 55.9139 30.7473 176.2117 5 A 4.0791 8.4833 123.9781 55.0741 18.7243 177.2589 6 S 4.7210 7.6370 111.6329 56.2048 61.0245 173.5040 7 V 3.5591 8.1783 123.9812 63.9793 31.2841 178.5947 8 K 3.5576 7.8094 119.6691 55.7069 32.2075 171.9647 9 K 4.9997 8.0608 117.2458 55.3690 36.5766 174.2865 10 L 4.6736 8.3615 121.6260 55.4629 44.5503 179.4765 11 C 4.4922 8.8825 125.3738 58.4988 31.0105 173.4436 12 R 4.0962 8.4972 114.2822 59.1258 29.5808 176.9565 13 N 4.8924 8.1439 115.9144 53.5522 38.5355 173.4968 14 C 5.6838 7.6502 116.3640 57.4484 29.4636 173.6076 15 K 4.2668 8.5753 125.0680 55.2898 33.7583 173.0175 16 I 3.6305 7.6330 121.1488 61.5924 33.2764 172.3444 17 V 4.0604 7.6294 123.5104 61.1920 32.8784 174.7185 18 K 4.9641 8.4561 126.0408 54.6040 33.9560 175.5399 19 R 4.4875 8.0200 124.9750 55.6357 33.2794 175.3999 20 D 4.3479 10.0184 120.5111 55.0390 38.4640 174.7799 21 G 3.8941 8.2707 108.4816 45.2645 0.0000 174.7979 22 V 3.7391 7.8600 119.9039 62.5966 29.7432 173.9728 23 I 4.2205 7.9139 126.8121 61.9572 35.6617 175.8123 24 R 4.7321 8.9982 127.5333 54.4145 33.2980 174.9551 25 V 4.6433 8.0555 118.5181 62.2408 34.7834 173.7667 26 I 4.6920 8.5255 127.9430 59.6865 40.7432 174.0095 27 C 5.9405 8.2544 123.6989 57.0496 34.0362 174.0226 28 S 4.3912 9.0852 120.5633 59.1374 63.6961 174.2079 29 A 4.1383 7.8813 123.2268 52.0122 18.9193 177.1510 30 E 4.5374 8.2367 114.6128 52.7438 32.2064 175.9762 31 P 4.3115 0.0000 0.0000 65.2791 31.6567 178.5642 32 K 4.2165 8.0013 116.3905 58.9010 32.0769 177.4143 33 H 4.3975 7.9375 115.4812 57.5976 29.1187 174.4733 34 K 4.2702 8.2646 121.0710 56.8949 32.5804 176.0009 35 Q 5.2534 8.3534 126.4703 53.6589 32.0495 175.2312 36 R 4.8151 8.4035 120.3423 56.4451 31.8303 178.3526 37 Q 4.0543 9.4023 113.2823 56.2005 29.1315 177.5338 38 G 3.8946 8.3633 106.4759 46.8174 0.0000 172.9263 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 M 8.30 4.62 0.00 2.04 2.25 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 2 K 8.89 4.04 0.00 1.87 1.72 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.49 7.81 3 V 9.21 4.65 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 0.72 0.00 0.00 0.93 0.00 0.00 4 R 9.57 3.96 0.00 1.97 1.96 0.00 3.21 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 5 A 8.48 4.08 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 6 S 7.64 4.72 0.00 3.83 3.80 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 0.00 0.00 0.00 0.00 7 V 8.18 3.56 2.29 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 0.74 0.00 0.00 0.93 0.00 0.00 8 K 7.81 3.56 0.00 1.85 1.81 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.39 7.81 9 K 8.06 5.00 0.00 1.83 1.80 0.00 1.48 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.47 7.81 10 L 8.36 4.67 0.00 1.33 0.67 0.91 0.70 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 11 C 8.88 4.49 0.00 3.12 3.10 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 12 R 8.50 4.10 0.00 2.02 2.23 0.00 2.96 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 13 N 8.14 4.89 0.00 2.80 2.96 0.00 0.00 7.03 7.66 0.00 0.00 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 C 7.65 5.68 0.00 2.95 2.85 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 15 K 8.58 4.27 0.00 1.66 1.79 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.48 7.81 16 I 7.63 3.63 1.87 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 1.28 1.44 0.93 0.00 0.00 17 V 7.63 4.06 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 1.01 0.00 0.00 0.93 0.00 0.00 18 K 8.46 4.96 0.00 1.71 1.66 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.30 1.41 7.81 19 R 8.02 4.49 0.00 1.82 1.75 0.00 3.32 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 20 D 10.02 4.35 0.00 2.83 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 21 G 8.27 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 0.00 0.00 0.00 22 V 7.86 3.74 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 0.95 0.00 0.00 0.97 0.00 0.00 23 I 7.91 4.22 1.87 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 1.34 0.82 0.91 0.00 0.00 24 R 9.00 4.73 0.00 1.86 1.88 0.00 3.12 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 25 V 8.06 4.64 2.09 0.00 0.00 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 1.04 0.00 0.00 26 I 8.53 4.69 1.88 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 1.23 0.94 0.91 0.00 0.00 27 C 8.25 5.94 0.00 2.99 2.85 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 28 S 9.09 4.39 0.00 4.08 3.88 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 0.00 0.00 0.00 29 A 7.88 4.14 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.24 4.54 0.00 1.67 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 31 P 0.00 4.31 0.00 2.16 2.09 0.00 3.57 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 32 K 8.00 4.22 0.00 1.78 1.91 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.46 7.81 33 H 7.94 4.40 0.00 3.23 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.26 4.27 0.00 1.80 1.88 0.00 1.64 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.29 7.81 35 Q 8.35 5.25 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 36 R 8.40 4.82 0.00 1.80 1.08 0.00 3.37 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 37 Q 9.40 4.05 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 38 G 8.36 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 0.00 0.00 0.00