NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8996 8.3393 109.7363 45.2745 0.0000 173.4825 3 S 4.1942 8.3644 114.3028 57.0446 64.9638 169.6679 4 V 3.5698 8.4044 121.1678 65.9920 31.6581 178.5532 5 E 3.9233 8.1677 118.5900 59.4699 29.3849 178.5254 6 D 4.3165 8.0346 118.5786 57.5631 40.9554 178.7529 7 R 3.8850 8.0690 118.5475 59.4934 29.9598 179.3100 8 V 3.6210 7.8975 117.8822 66.1912 31.5325 178.3143 9 T 3.8590 7.6802 115.1433 66.5759 68.1962 176.5296 10 Q 3.9468 8.3689 121.7855 59.1367 29.0854 178.1784 11 L 3.9608 8.0671 120.0600 57.9006 41.6558 179.3906 12 E 3.9904 8.4008 118.6488 59.1983 29.2689 179.4644 13 R 3.8542 7.9809 118.7768 59.5166 30.1542 178.6129 14 I 3.5776 7.8825 119.7989 64.3263 36.9760 178.3125 15 S 4.0148 8.5952 114.2517 61.3021 62.2830 175.5786 16 N 4.2198 8.1946 119.4254 56.7857 38.6750 176.4811 17 A 4.0039 8.1440 122.1313 55.6634 18.3556 179.3759 18 H 4.2536 8.5303 114.9650 59.0562 28.7562 178.0837 19 S 4.1437 8.3778 117.2475 61.7596 62.6599 176.8788 20 Q 3.9641 8.0049 120.3261 58.9999 28.5396 178.6679 21 L 3.9894 8.0878 121.3137 58.0206 42.0106 178.9225 22 L 4.0032 8.2753 119.3697 58.1368 41.6841 179.6137 23 T 3.8631 7.9382 115.6046 66.7145 68.3718 176.7994 24 Q 3.9998 8.0137 119.9288 59.0447 28.7018 178.8300 25 L 4.0507 8.4768 120.3500 57.6724 41.5604 179.5370 26 Q 3.9814 8.3124 118.3822 59.0238 28.6094 178.6766 27 Q 3.9583 7.9764 120.1756 59.4212 29.0919 178.4035 28 Q 3.9959 8.1028 119.0617 58.5367 28.6128 178.3721 29 L 3.9464 8.3051 122.0332 58.2460 42.0980 179.1308 30 S 4.9252 8.1198 116.4715 61.2194 62.7078 176.3886 31 D 4.3632 8.3083 121.6214 57.6372 40.5542 178.7388 32 N 4.3663 8.3475 116.8747 56.1592 38.4517 177.6471 33 Q 3.9457 8.3882 119.7930 59.1289 28.9120 178.6001 34 S 4.1345 8.3398 116.5163 61.8757 62.8086 176.6999 35 D 4.3352 8.2371 121.1526 57.4664 40.5891 178.6402 36 I 3.6856 7.8456 120.3051 64.8864 37.1674 178.2740 37 D 4.3999 8.2967 119.4356 57.1348 40.6033 178.7646 38 S 4.0590 8.1720 113.7467 61.5020 62.3553 176.3264 39 L 4.0236 8.1946 121.8596 57.5966 41.2897 179.4606 40 R 4.0107 8.4602 118.7568 59.3972 30.0854 178.9543 41 G 3.7434 7.9947 105.1891 48.1152 0.0000 175.3702 42 Q 3.9477 8.0388 122.0541 58.8751 29.0354 178.0970 43 I 3.7495 8.1294 119.9989 64.0260 37.9707 177.8986 44 Q 4.0149 8.1157 119.1863 59.0207 28.5502 178.5957 45 E 4.0257 8.2208 119.6293 59.4165 29.4291 179.1334 46 N 4.4081 8.3634 116.6781 56.3121 38.5477 177.2687 47 Q 4.0117 8.4733 121.3322 59.1837 29.0617 177.5956 48 Y 3.9816 8.1801 120.7029 60.6430 38.9127 177.7686 49 Q 3.9283 8.4705 120.5349 59.0755 29.1372 177.6569 50 L 3.9270 8.2951 121.8060 58.4814 42.1792 178.5552 51 N 4.2281 8.2256 116.1626 56.7022 38.4672 177.4009 52 Q 3.9100 7.6319 118.9295 58.7221 28.6741 178.8940 53 V 3.5662 7.7520 119.4758 65.6932 31.4645 178.0828 54 V 3.5342 8.0206 118.4422 66.2408 31.3767 177.7169 55 E 3.9296 7.9976 118.4189 59.1707 29.4426 178.6913 56 R 3.8903 8.1432 118.9203 59.4231 30.0943 178.4830 57 Q 4.0576 8.3191 118.0650 58.8575 28.8012 178.9395 58 K 3.9600 7.8803 119.1881 59.6277 32.0959 179.4371 59 Q 4.0194 8.0783 118.2685 58.9349 28.5844 178.7432 60 I 3.7118 8.2817 121.2476 64.3550 37.0619 178.4089 61 L 3.9915 8.0747 119.7462 57.9088 41.4857 179.6402 62 L 4.1737 7.8138 118.3974 57.8866 41.4097 179.6692 63 Q 4.0186 8.0855 118.1238 58.8979 28.5103 178.6513 64 I 3.7094 8.2116 121.3279 64.3845 36.8940 178.0318 65 D 4.3836 8.2011 119.0176 57.7360 40.7987 178.6821 66 S 4.2642 7.8303 113.9607 61.7759 62.8645 176.5387 67 L 4.1333 7.6601 120.7020 56.9705 41.4431 177.3752 68 S 4.3853 7.6890 117.1468 58.2562 63.1740 173.6886 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 G 8.34 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 3 S 8.36 4.19 0.00 4.14 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 4 V 8.40 3.57 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 1.02 0.00 0.00 0.93 0.00 0.00 5 E 8.17 3.92 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 6 D 8.03 4.32 0.00 2.76 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.07 3.89 0.00 2.08 2.00 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 8 V 7.90 3.62 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 9 T 7.68 3.86 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 10 Q 8.37 3.95 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 11 L 8.07 3.96 0.00 1.90 1.69 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.40 3.99 0.00 2.18 1.99 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 2.32 2.42 0.00 13 R 7.98 3.85 0.00 1.88 2.05 0.00 3.21 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 1.60 1.65 0.00 14 I 7.88 3.58 1.80 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.62 0.72 0.00 0.00 15 S 8.60 4.01 0.00 3.88 3.84 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 16 N 8.19 4.22 0.00 2.85 2.96 0.00 0.00 7.13 8.00 0.00 0.00 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 A 8.14 4.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.53 4.25 0.00 3.33 3.33 0.00 5.65 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 19 S 8.38 4.14 0.00 3.96 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 3.96 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 21 L 8.09 3.99 0.00 1.78 1.68 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.28 4.00 0.00 1.99 1.70 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.94 3.86 4.37 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 1.21 0.00 0.00 24 Q 8.01 4.00 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 25 L 8.48 4.05 0.00 1.63 1.71 0.91 0.98 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 26 Q 8.31 3.98 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 27 Q 7.98 3.96 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 28 Q 8.10 4.00 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 29 L 8.31 3.95 0.00 1.73 1.86 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.12 4.93 0.00 4.01 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 31 D 8.31 4.36 0.00 2.86 2.72 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 32 N 8.35 4.37 0.00 2.88 2.86 0.00 0.00 7.08 7.56 0.00 0.00 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 Q 8.39 3.95 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 34 S 8.34 4.13 0.00 3.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.34 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.85 3.69 2.09 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 1.65 0.89 0.91 0.00 0.00 37 D 8.30 4.40 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.17 4.06 0.00 3.89 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 39 L 8.19 4.02 0.00 1.72 1.70 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.46 4.01 0.00 1.99 1.99 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 41 G 7.99 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 0.00 0.00 0.00 42 Q 8.04 3.95 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 43 I 8.13 3.75 1.88 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 1.53 1.44 1.03 0.00 0.00 44 Q 8.12 4.01 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 45 E 8.22 4.03 0.00 2.12 1.98 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 2.27 2.56 0.00 46 N 8.36 4.41 0.00 2.90 2.89 0.00 0.00 6.63 7.10 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 47 Q 8.47 4.01 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 48 Y 8.18 3.98 0.00 3.20 3.19 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 0.00 49 Q 8.47 3.93 0.00 2.42 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 50 L 8.30 3.93 0.00 1.91 1.81 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.23 4.23 0.00 2.76 2.75 0.00 0.00 7.08 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.63 3.91 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.17 2.02 0.00 53 V 7.75 3.57 2.22 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 1.06 0.00 0.00 0.98 0.00 0.00 54 V 8.02 3.53 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 0.92 0.00 0.00 0.98 0.00 0.00 55 E 8.00 3.93 0.00 2.11 1.88 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 2.27 2.33 0.00 56 R 8.14 3.89 0.00 2.04 2.07 0.00 3.14 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 57 Q 8.32 4.06 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 58 K 7.88 3.96 0.00 1.92 1.85 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.64 7.81 59 Q 8.08 4.02 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 60 I 8.28 3.71 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.91 0.00 0.00 61 L 8.07 3.99 0.00 1.82 1.71 0.91 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.81 4.17 0.00 1.87 1.71 0.91 0.69 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 63 Q 8.09 4.02 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 64 I 8.21 3.71 2.07 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 1.52 0.95 0.91 0.00 0.00 65 D 8.20 4.38 0.00 2.80 2.74 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 66 S 7.83 4.26 0.00 3.99 3.94 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 67 L 7.66 4.13 0.00 1.76 1.73 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 68 S 7.69 4.39 0.00 3.90 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