NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9606 8.3549 109.7363 44.9049 0.0000 174.7860 2 S 4.5083 8.7295 112.2903 56.9177 68.1041 172.3837 3 S 4.5120 10.0922 116.9903 60.4021 64.6224 175.8957 4 G 3.9486 6.9342 117.2531 46.0929 0.0000 172.8041 5 S 4.6037 7.2625 115.3165 56.4903 64.1281 172.6490 6 S 4.5337 7.7276 119.9164 57.2408 64.8091 174.0906 7 G 3.8983 8.5228 113.5262 44.4175 0.0000 173.0942 8 L 4.1330 7.6340 125.4679 55.0455 42.5363 175.4625 9 T 4.3285 7.4851 112.2089 61.1281 69.8570 172.1994 10 E 4.2496 8.5897 124.9251 56.2105 30.1502 176.9376 11 G 4.2674 8.5150 105.5666 46.3463 0.0000 172.5707 12 Q 4.6703 7.5216 120.3097 54.1448 31.3475 173.9698 13 Y 4.7697 8.7713 124.1846 57.6445 38.6598 175.0166 14 V 4.7113 8.9931 117.2966 59.6785 36.9849 174.3142 15 L 5.1544 8.9247 121.5944 53.5559 44.3555 175.5884 16 C 5.4066 9.0711 120.3507 58.0467 31.0593 173.2192 17 R 4.3282 8.7453 125.2749 55.0707 29.8194 176.0448 18 W 4.8500 9.3292 135.0000 56.7749 31.7903 176.7443 19 T 3.4551 6.4298 116.4666 65.2277 66.4270 175.0533 20 D 4.3475 7.5693 119.0679 56.0416 40.9919 177.2164 21 G 4.0166 8.5674 107.5141 45.0963 0.0000 173.2518 22 L 4.3389 7.9207 118.7473 53.6845 43.9423 175.6165 23 Y 4.9447 8.1906 119.2797 56.8123 39.0295 174.2758 24 Y 4.5998 8.6443 122.7726 56.3692 40.0337 175.4170 25 L 4.5180 8.5842 125.7054 55.4036 43.8877 175.5141 26 G 3.9916 8.6568 109.2391 45.2365 0.0000 172.0824 27 K 4.4783 8.2630 123.7180 54.0617 34.0005 174.9777 28 I 4.0534 8.6098 130.1826 62.1459 36.9350 176.7928 29 K 3.9775 9.1918 129.9494 58.5351 32.9422 176.5839 30 R 4.8219 7.7388 117.9554 54.4275 34.5093 174.0509 31 V 4.8278 8.4348 120.9098 61.4849 33.9255 174.4248 32 S 5.0506 9.7907 124.9515 57.1818 65.0818 175.2800 33 S 4.4936 8.7371 117.4550 60.2372 64.3666 176.3685 34 S 3.9717 7.7782 115.8733 61.1174 62.5692 177.0804 35 K 4.2936 7.3871 117.5505 57.9809 32.8637 176.3826 36 Q 2.0000 7.4027 114.8152 56.3441 26.7137 173.8047 37 S 5.3947 7.1014 112.8563 57.3674 67.0786 173.0191 38 C 5.3755 9.1223 115.1746 58.8834 33.1862 174.1265 39 L 3.5599 8.4665 126.2474 54.6922 41.3133 174.4636 40 V 4.3108 8.0250 124.8825 61.9288 33.4034 174.8245 41 T 4.4537 8.7534 125.7988 62.1725 68.3722 174.5549 42 F 5.0053 8.8951 125.9316 56.5749 40.1084 176.6139 43 E 4.1634 8.9888 118.9521 58.7851 29.3811 177.2162 44 D 4.7538 7.8924 118.4601 55.4853 41.3172 176.0942 45 N 4.0631 8.0570 113.6234 54.2561 37.8759 173.0995 46 S 4.6627 7.3596 109.2041 55.7052 66.5151 172.6079 47 K 4.6679 7.8936 119.7235 54.6999 34.4514 175.1256 48 Y 4.7778 7.8646 121.9606 55.7547 41.2171 175.2823 49 W 4.7738 9.1862 124.3497 56.9707 28.8984 174.9431 50 V 4.6520 8.4935 123.8189 60.7981 33.6218 175.1371 51 L 4.6746 8.6452 127.1857 54.1287 42.4116 177.9935 52 W 4.9422 9.2193 123.3086 59.8545 29.3987 178.9315 53 K 4.1398 8.3441 116.6625 59.5016 32.4266 177.2507 54 D 4.9169 8.8145 118.9332 54.0754 41.0732 175.5773 55 I 4.7937 7.5586 120.9825 59.7993 39.1378 175.1935 56 Q 4.4694 9.3893 129.5022 55.4684 31.0765 174.8876 57 H 4.9084 8.8052 121.4793 54.3713 28.5082 174.7262 58 A 4.0146 8.6233 125.3605 50.4025 18.7740 176.3843 59 G 4.0172 8.1678 109.9864 45.4994 0.0000 174.1720 60 V 4.2320 7.8238 119.1593 59.0159 32.8577 174.8267 61 P 4.3825 0.0000 0.0000 63.6172 31.4908 177.1233 62 G 3.9451 7.9631 106.0349 46.2497 0.0000 173.6208 63 E 4.2434 8.3797 120.9390 56.3633 30.2755 175.7938 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 G 8.35 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.73 4.51 0.00 3.89 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 3 S 10.09 4.51 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 6.93 3.95 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 0.00 0.00 0.00 5 S 7.26 4.60 0.00 3.80 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.53 0.00 3.94 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 7 G 8.52 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 4.13 0.00 1.24 1.41 0.70 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.49 4.33 4.19 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 1.18 0.00 0.00 10 E 8.59 4.25 0.00 2.06 1.87 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 2.55 2.31 0.00 11 G 8.52 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 0.00 0.00 0.00 0.00 12 Q 7.52 4.67 0.00 2.26 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 13 Y 8.77 4.77 0.00 2.80 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.99 4.71 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 0.80 0.00 0.00 0.94 0.00 0.00 15 L 8.92 5.15 0.00 1.63 1.82 0.82 0.99 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 16 C 9.07 5.41 0.00 3.09 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 17 R 8.75 4.33 0.00 1.78 1.89 0.00 3.08 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 0.00 18 W 9.33 4.85 0.00 3.75 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 19 T 6.43 3.46 3.27 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 0.14 0.00 0.00 20 D 7.57 4.35 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.57 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.92 4.34 0.00 1.57 0.90 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 8.19 4.94 0.00 2.79 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.64 4.60 0.00 2.90 2.82 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 25 L 8.58 4.52 0.00 1.80 1.55 1.08 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.66 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.26 4.48 0.00 0.92 1.35 0.00 1.42 0.00 0.00 1.53 0.00 0.00 2.87 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.15 1.01 7.81 28 I 8.61 4.05 1.95 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 1.09 0.42 0.93 0.00 0.00 29 K 9.19 3.98 0.00 1.58 1.74 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 30 R 7.74 4.82 0.00 1.87 1.66 0.00 3.30 0.00 0.00 3.65 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.71 0.00 31 V 8.43 4.83 2.16 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 1.05 0.00 0.00 0.94 0.00 0.00 32 S 9.79 5.05 0.00 3.97 3.61 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 33 S 8.74 4.49 0.00 4.10 4.28 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 34 S 7.78 3.97 0.00 3.74 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 35 K 7.39 4.29 0.00 1.46 1.59 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.18 1.19 7.81 36 Q 7.40 2.00 0.00 1.43 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.51 0.00 0.00 0.00 0.00 0.00 1.37 1.78 0.00 37 S 7.10 5.39 0.00 4.21 4.07 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 0.00 0.00 0.00 0.00 38 C 9.12 5.38 0.00 3.18 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.47 3.56 0.00 0.70 1.29 -0.36 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.02 4.31 2.32 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 0.90 0.00 0.00 1.10 0.00 0.00 41 T 8.75 4.45 4.09 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 1.15 0.00 0.00 42 F 8.90 5.01 0.00 2.74 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.99 4.16 0.00 2.04 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 2.35 2.34 0.00 44 D 7.89 4.75 0.00 2.72 2.64 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 45 N 8.06 4.06 0.00 2.71 2.74 0.00 0.00 6.99 7.59 0.00 0.00 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 S 7.36 4.66 0.00 3.26 3.78 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 0.00 0.00 0.00 47 K 7.89 4.67 0.00 1.31 1.35 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.08 1.19 7.81 48 Y 7.86 4.78 0.00 2.64 2.58 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 49 W 9.19 4.77 0.00 3.27 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 50 V 8.49 4.65 2.37 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 1.23 0.00 0.00 1.35 0.00 0.00 51 L 8.65 4.67 0.00 1.83 1.56 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 52 W 9.22 4.94 0.00 3.40 3.24 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 53 K 8.34 4.14 0.00 1.93 2.01 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.54 7.81 54 D 8.81 4.92 0.00 2.81 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.56 4.79 2.20 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 0.98 0.00 0.00 56 Q 9.39 4.47 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 57 H 8.81 4.91 0.00 3.04 3.27 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.62 4.01 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 59 G 8.17 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.82 4.23 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 0.93 0.00 0.00 0.91 0.00 0.00 61 P 0.00 4.38 0.00 2.15 2.13 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 62 G 7.96 3.95 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 0.00 0.00 0.00 63 E 8.38 4.24 0.00 1.91 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 2.18 2.24 0.00