NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3334 8.3044 120.3502 55.1413 33.1808 178.1651 2 K 3.9749 9.0619 118.2211 54.9431 32.3807 174.3632 3 R 4.1659 8.6256 125.5874 56.6890 32.1369 176.7367 4 T 4.3308 7.8693 115.2678 59.1588 65.6233 175.2744 5 F 5.0275 7.4620 118.1652 58.1521 42.0632 171.5632 6 Q 4.2110 8.3325 123.6466 52.3505 28.2269 173.4675 7 P 3.9304 0.0000 0.0000 63.2414 31.6274 177.0044 8 S 4.2886 8.3826 115.9157 56.1368 63.2706 174.3683 9 V 3.6476 8.5842 129.8646 65.3770 30.6877 177.3666 10 L 4.0584 7.9211 120.4971 57.1489 42.1968 178.3680 11 K 3.8234 8.2261 118.0563 59.8265 32.3001 178.7256 12 R 3.9899 8.0922 118.4040 59.9653 29.9158 177.8409 13 N 4.3703 7.9828 116.0427 56.3390 38.4870 176.8561 14 R 4.2896 7.8172 113.5010 57.0783 29.9004 177.3230 15 S 4.6011 7.7345 115.4472 59.6281 64.7627 174.1391 16 H 4.9406 8.8999 118.3224 55.2493 29.8752 173.5725 17 G 4.6352 7.8784 106.9059 43.3775 0.0000 175.1906 18 F 4.0057 8.7925 120.5912 61.5573 39.1419 177.3985 19 R 3.5536 8.2635 115.8048 59.2038 29.9429 178.5134 20 A 4.1173 7.8052 119.4649 55.0627 18.6780 179.5253 21 R 3.9652 8.1142 116.9115 59.3034 30.4598 179.3641 22 M 4.5581 8.2993 118.8036 55.4264 31.1841 176.9043 23 A 4.6479 7.7488 119.8369 50.9755 21.3732 177.0453 24 T 4.7291 7.3698 105.1230 59.0698 73.4019 173.6960 25 K 3.7701 8.6480 121.0767 60.4459 31.8956 178.2461 26 N 4.6072 7.9841 116.9847 55.1045 38.8515 177.4197 27 G 3.9071 7.9269 109.6352 47.4297 0.0000 176.2259 28 R 3.9058 8.1891 121.1189 57.6893 30.0927 178.1407 29 Q 4.1925 8.0855 118.6631 57.1742 29.0235 177.3640 30 V 3.7673 7.7069 119.2561 66.2730 31.9106 177.4780 31 L 4.0016 7.9077 117.9050 57.8820 41.3003 179.4821 32 A 4.0191 7.8329 120.3469 55.1763 18.3739 179.8395 33 R 3.8379 7.4400 116.0386 59.5110 30.2141 179.6380 34 R 3.9435 8.3922 118.1544 59.2796 30.0191 179.2189 35 R 3.9214 8.9060 118.8563 59.2066 29.8381 178.6728 36 A 3.9825 8.4116 119.9442 55.2643 18.5764 179.4304 37 K 3.9845 8.0931 115.9724 56.7065 33.5270 176.3669 38 G 3.8658 7.9585 106.9112 47.0795 0.0000 173.4927 39 R 4.1568 7.9226 117.5907 55.7048 31.4366 176.1666 40 A 4.0010 8.4553 125.5729 54.7484 18.7408 178.2165 41 R 4.3899 7.6106 117.5027 54.4390 30.5004 176.4150 42 L 4.0251 8.5036 125.8434 57.2293 42.3488 177.7377 43 T 4.1104 8.0318 113.1446 61.9748 69.5321 174.0310 44 V 3.1693 8.2804 121.5933 63.3381 28.6787 173.3693 45 S 3.9294 7.5690 118.3058 59.5464 63.2486 175.4355 46 K 4.0111 7.9440 125.9938 56.3363 31.8286 174.8423 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 4.33 0.00 2.00 1.30 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 K 9.06 3.97 0.00 1.84 1.72 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 R 8.63 4.17 0.00 1.88 1.94 0.00 3.44 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 4 T 7.87 4.33 4.27 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 0.00 0.00 0.00 1.24 0.00 0.00 5 F 7.46 5.03 0.00 2.69 2.91 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 6 Q 8.33 4.21 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.25 0.00 7 P 0.00 3.93 0.00 1.98 1.57 0.00 3.43 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.64 0.00 8 S 8.38 4.29 0.00 3.81 3.75 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 0.00 0.00 0.00 9 V 8.58 3.65 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 0.90 0.00 0.00 0.94 0.00 0.00 10 L 7.92 4.06 0.00 1.74 1.65 0.93 0.54 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 11 K 8.23 3.82 0.00 1.89 1.91 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.49 7.81 12 R 8.09 3.99 0.00 2.01 2.07 0.00 3.19 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 13 N 7.98 4.37 0.00 3.01 2.90 0.00 0.00 6.90 7.54 0.00 0.00 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 R 7.82 4.29 0.00 1.99 2.05 0.00 3.04 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 15 S 7.73 4.60 0.00 4.10 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.90 4.94 0.00 3.01 3.26 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 7.88 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 F 8.79 4.01 0.00 3.10 3.09 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 0.00 0.00 0.00 0.00 19 R 8.26 3.55 0.00 1.89 2.03 0.00 3.34 0.00 0.00 3.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.89 0.00 20 A 7.81 4.12 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 3.97 0.00 1.98 1.74 0.00 3.33 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 22 M 8.30 4.56 0.00 1.76 1.84 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.59 0.00 23 A 7.75 4.65 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.37 4.73 4.22 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 1.18 0.00 0.00 25 K 8.65 3.77 0.00 1.87 1.79 0.00 1.60 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.59 7.81 26 N 7.98 4.61 0.00 2.69 2.85 0.00 0.00 6.86 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.93 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 0.00 0.00 0.00 28 R 8.19 3.91 0.00 1.81 1.92 0.00 3.06 0.00 0.00 3.03 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 29 Q 8.09 4.19 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 30 V 7.71 3.77 2.34 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 1.04 0.00 0.00 0.96 0.00 0.00 31 L 7.91 4.00 0.00 1.69 1.76 0.44 0.80 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 32 A 7.83 4.02 1.34 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 33 R 7.44 3.84 0.00 2.25 1.99 0.00 3.12 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 34 R 8.39 3.94 0.00 1.99 1.99 0.00 3.15 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 35 R 8.91 3.92 0.00 2.05 2.00 0.00 3.19 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 36 A 8.41 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.98 0.00 1.78 2.01 0.00 1.96 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.46 7.81 38 G 7.96 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 0.00 0.00 0.00 39 R 7.92 4.16 0.00 1.97 1.85 0.00 3.32 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 40 A 8.46 4.00 1.29 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 0.00 0.00 0.00 41 R 7.61 4.39 0.00 1.82 1.92 0.00 3.23 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 42 L 8.50 4.03 0.00 1.66 1.82 1.06 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.03 4.11 4.33 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 1.26 0.00 0.00 44 V 8.28 3.17 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 0.85 0.00 0.00 0.96 0.00 0.00 45 S 7.57 3.93 0.00 4.01 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.94 4.01 0.00 1.65 1.64 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.29 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.24 1.41 7.81