NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 A 4.2916 8.2493 123.5822 50.9926 19.7541 176.5094 7 P 4.3329 0.0000 0.0000 61.2453 31.9074 175.3528 8 D 4.7774 9.0136 124.6406 52.2102 43.9415 177.4055 9 F 4.0898 8.7699 119.5281 62.4106 39.1814 177.3743 10 H 4.4677 8.1655 115.1768 58.9287 28.3579 177.4095 11 D 4.3226 8.2683 119.7958 57.2506 40.7424 178.7877 12 K 3.7562 7.5567 117.5182 58.9541 32.3080 178.2715 13 Y 4.6658 7.8205 114.6113 57.1933 38.9491 177.7838 14 G 3.9804 8.1779 108.4787 48.3841 0.0000 175.3796 15 N 4.3369 8.1989 118.6505 55.6272 38.4935 177.3586 16 A 3.9707 7.9113 121.6259 55.1197 18.6789 179.5296 17 V 3.5600 8.0482 117.0503 66.0970 31.5876 177.9145 18 L 3.9604 8.2011 119.7833 58.1044 41.9524 178.8026 19 A 3.9708 8.0230 120.8023 55.3966 18.3872 179.8904 20 S 4.3343 8.5060 112.9480 61.1030 63.1429 176.9150 21 G 3.6296 8.2615 109.4948 47.7754 0.0000 175.6310 22 A 4.1012 8.0505 123.7883 54.9703 18.3701 179.8896 23 T 3.8296 8.0103 114.2679 66.7371 68.5323 176.6011 24 F 4.2543 8.5438 122.6913 61.4577 39.4338 176.4196 25 C 4.0372 8.2912 118.1918 62.6976 31.3596 175.7516 26 V 3.6246 7.8511 119.3372 65.8913 31.0465 177.6918 27 A 4.0291 8.1708 120.6891 55.3572 18.2672 180.0856 28 V 3.4783 7.7736 117.5565 64.5771 31.2930 178.6419 29 W 3.7974 8.2828 119.7231 59.4134 28.9304 178.6817 30 V 3.6765 8.1656 118.3471 66.0539 30.9004 177.3974 31 Y 3.9688 8.3108 119.3969 61.0175 38.4874 177.5817 32 M 3.9005 8.1311 117.5240 58.8100 32.3425 177.7661 33 A 4.7063 8.2929 119.7557 54.2169 18.7672 177.9112 34 T 4.5870 7.7337 103.9168 61.2568 70.1668 174.5254 35 Q 4.3916 8.1829 120.0698 55.5894 29.5989 175.7128 36 I 4.2248 7.5703 110.0250 60.3531 37.9627 176.0272 37 G 3.8150 8.2795 107.2675 46.0608 0.0000 173.7760 38 I 3.4580 7.4185 120.3411 60.6806 37.3649 175.2462 39 E 4.2881 8.2623 126.7058 54.6158 29.2512 175.5968 40 W 4.1682 8.7190 127.2992 57.3622 30.1685 176.1023 41 N 4.1563 8.4822 116.1532 53.9478 36.5992 170.6346 42 P 4.6195 0.0000 0.0000 61.6259 33.1824 176.6185 43 S 4.2277 8.3207 113.1343 57.8984 62.8228 172.4527 44 P 4.3016 0.0000 0.0000 64.8273 31.5096 176.3409 45 V 3.6617 7.1877 118.2001 64.5088 31.2653 176.4625 46 G 4.0587 9.0290 115.3252 45.5728 0.0000 173.4827 47 R 4.4464 8.2235 114.8050 55.8685 31.4818 176.2161 48 V 4.2262 7.6356 117.2770 61.1227 33.1129 174.7451 49 T 4.3831 8.2739 123.6824 61.2809 68.7789 173.0031 50 P 4.3051 0.0000 0.0000 62.8255 31.8881 175.8135 51 K 4.6894 8.3331 122.7789 53.9233 34.9592 175.4168 52 E 4.1008 8.8298 124.2065 56.6928 29.8895 176.9151 53 W 4.7240 8.0454 118.4249 57.1246 30.5299 175.4081 54 R 3.6071 6.4501 122.3983 56.1071 29.3433 175.6870 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 6 A 8.25 4.29 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.33 0.00 2.20 2.05 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 8 D 9.01 4.78 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.77 4.09 0.00 3.21 2.94 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 0.00 0.00 0.00 10 H 8.17 4.47 0.00 3.40 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 8.27 4.32 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.56 3.76 0.00 0.98 0.74 0.00 1.49 0.00 0.00 1.43 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.17 1.39 7.81 13 Y 7.82 4.67 0.00 2.16 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.20 4.34 0.00 2.74 2.89 0.00 0.00 6.90 7.58 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 16 A 7.91 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.05 3.56 2.33 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 1.09 0.00 0.00 1.13 0.00 0.00 18 L 8.20 3.96 0.00 1.91 1.84 0.95 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.02 3.97 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 20 S 8.51 4.33 0.00 4.08 4.16 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 21 G 8.26 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.10 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 3.83 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 24 F 8.54 4.25 0.00 3.17 3.39 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 25 C 8.29 4.04 0.00 3.32 3.16 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 26 V 7.85 3.62 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.96 0.00 0.00 27 A 8.17 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 3.48 1.58 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 0.32 0.00 0.00 0.68 0.00 0.00 29 W 8.28 3.80 0.00 3.59 3.38 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 30 V 8.17 3.68 2.38 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 1.05 0.00 0.00 1.01 0.00 0.00 31 Y 8.31 3.97 0.00 3.05 3.08 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 0.00 0.00 0.00 0.00 32 M 8.13 3.90 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 33 A 8.29 4.71 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 4.59 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 1.24 0.00 0.00 35 Q 8.18 4.39 0.00 0.93 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.14 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 36 I 7.57 4.22 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.72 0.00 0.00 37 G 8.28 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.42 3.46 1.55 0.00 0.00 0.61 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 0.38 -0.38 0.00 0.00 39 E 8.26 4.29 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 40 W 8.72 4.17 0.00 3.35 3.26 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 41 N 8.48 4.16 0.00 2.82 2.85 0.00 0.00 7.22 7.22 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 42 P 0.00 4.62 0.00 2.24 2.10 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 43 S 8.32 4.23 0.00 3.86 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 44 P 0.00 4.30 0.00 2.22 2.08 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 45 V 7.19 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 0.73 0.00 0.00 0.93 0.00 0.00 46 G 9.03 4.06 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 0.00 0.00 0.00 47 R 8.22 4.45 0.00 1.86 2.02 0.00 3.06 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.65 0.00 48 V 7.64 4.23 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 0.86 0.00 0.00 0.94 0.00 0.00 49 T 8.27 4.38 4.26 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 1.23 0.00 0.00 50 P 0.00 4.31 0.00 2.08 2.06 0.00 3.64 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 51 K 8.33 4.69 0.00 1.70 1.70 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.44 7.81 52 E 8.83 4.10 0.00 1.97 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.21 0.00 53 W 8.05 4.72 0.00 3.52 3.17 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 0.00 54 R 6.45 3.61 0.00 0.67 1.13 0.00 3.20 0.00 0.00 3.08 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.03 0.00