NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4089 8.3044 120.3266 55.2594 34.3352 176.6774 2 E 4.3499 7.8984 118.1567 55.2116 29.3136 173.3627 3 T 4.7371 7.3812 112.1156 60.2857 72.1796 172.2266 4 L 4.9144 8.1190 124.1733 54.5418 40.3287 177.2955 5 V 4.4825 7.4779 109.2515 63.7047 33.1830 174.6016 6 Q 4.4923 7.8156 113.6425 54.2053 29.4488 173.7230 7 A 4.3526 7.7266 120.9125 52.0875 20.2391 177.8487 8 R 4.3621 8.5341 116.3702 58.1190 31.1368 177.5480 9 K 4.4221 7.9715 112.9640 57.5786 33.4327 176.0759 10 R 4.7472 7.2464 116.7209 55.8319 37.7400 174.2155 11 K 4.5605 7.2745 116.4084 56.3510 35.1502 175.3776 12 R 4.6421 8.2149 113.1479 56.3079 30.5087 176.2699 13 T 4.1742 8.0391 117.2594 66.6892 68.7044 176.1800 14 S 4.6128 7.6132 114.9052 57.3081 63.2552 175.2997 15 I 4.5075 7.3380 119.3180 61.2003 38.7363 174.5766 16 E 4.1385 7.7904 122.8516 55.7455 30.5128 178.0920 17 N 4.2381 8.6423 118.9244 56.6127 38.9059 177.0806 18 R 4.1975 7.9296 120.0070 58.7092 30.3042 178.5158 19 V 3.5066 7.5420 119.3170 64.7644 31.2291 178.5674 20 R 3.0591 7.4501 118.4612 58.2852 29.7879 178.4367 21 W 5.4623 7.2244 115.2467 58.2689 29.1536 178.4198 22 S 4.2270 8.0645 114.5770 61.0559 61.8677 175.6847 23 L 3.7945 7.7016 121.8213 57.7127 41.2975 178.7749 24 E 4.7229 8.6058 119.2849 60.3311 29.4366 179.0435 25 T 4.0276 7.7931 111.2712 65.3644 67.4262 175.5858 26 M 4.1418 7.7348 119.5616 57.4903 32.0517 177.7987 27 F 4.7193 8.0628 116.2954 58.4726 39.5260 176.6308 28 L 4.7380 7.8322 118.3770 54.6458 42.0920 177.2974 29 K 4.4060 8.0569 120.0786 58.3152 33.8674 176.5124 30 C 4.8788 7.6668 114.4937 57.2483 31.9650 171.7874 31 P 4.7544 0.0000 0.0000 62.9323 31.7372 176.5988 32 K 4.6929 7.6163 116.8225 55.0582 32.0769 174.0793 33 P 4.4972 0.0000 0.0000 63.1782 32.7880 177.9241 34 S 4.5297 8.5404 119.2840 57.5841 64.9919 175.3091 35 L 4.1434 8.4465 124.7840 58.8973 40.4401 179.3363 36 Q 4.2659 7.9688 120.4041 58.4451 28.7807 178.0189 37 Q 4.0409 7.9705 119.9175 58.9568 29.1031 178.0780 38 I 3.9180 7.7788 121.1660 64.2956 36.9220 178.4797 39 T 3.8629 7.7821 116.8809 66.9240 68.3636 176.2665 40 H 4.1077 8.1810 119.1837 58.6817 30.0079 177.2663 41 I 3.6003 7.6922 121.9768 64.0867 36.9513 178.0024 42 A 3.9086 7.9129 121.5778 55.4115 18.1258 179.5558 43 N 4.3323 7.7548 112.7488 56.0229 38.5557 177.3305 44 Q 4.1675 7.6363 119.4481 57.5834 28.4895 176.5856 45 L 4.6253 7.5412 118.4967 54.7746 41.1740 176.6553 46 G 3.7592 7.8869 105.4062 46.8782 0.0000 173.8738 47 L 4.4564 7.0439 118.6734 53.5386 42.9788 174.8920 48 E 4.4244 8.1598 118.5128 54.8970 30.8321 176.9732 49 K 4.0032 8.6246 124.1227 59.4871 31.8686 179.0591 50 D 4.3755 8.0536 118.5221 57.0960 41.4161 178.1631 51 V 3.8744 7.8814 119.5053 64.0230 31.7173 178.5743 52 V 3.8520 7.7429 119.5861 64.1384 31.5406 178.3092 53 R 4.0071 8.0155 119.5223 59.4328 29.9932 178.6112 54 V 3.6910 7.7221 117.8562 65.6014 31.2399 177.7950 55 W 4.0832 8.1285 127.4528 59.9806 30.9075 177.1613 56 F 4.1996 8.5099 119.1752 59.4227 38.9366 176.8863 57 C 3.9610 7.8999 118.9401 62.8936 31.1671 175.0268 58 N 4.1885 7.2661 117.1243 55.8907 37.0972 177.0489 59 R 3.6137 7.0552 119.5568 58.4388 29.9903 178.2008 60 R 3.7207 6.9422 117.4647 57.1560 31.4343 176.9796 61 Q 4.5931 7.2446 114.7416 54.9312 28.1552 175.8910 62 K 4.0475 7.7407 118.0055 58.5827 33.1771 178.2408 63 G 4.8280 7.1639 112.4738 46.1516 0.0000 173.8463 64 K 4.2474 8.1914 120.7820 57.3523 33.1927 177.9100 65 R 4.5552 7.4632 114.0280 53.8897 29.0166 173.2120 66 S 4.6006 7.9192 117.9129 57.7734 65.0423 175.2202 67 S 4.1797 8.3735 117.4269 58.4593 62.4920 173.2479 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 4.41 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 E 7.90 4.35 0.00 1.99 1.89 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 2.21 2.35 0.00 3 T 7.38 4.74 4.24 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 1.21 0.00 0.00 4 L 8.12 4.91 0.00 1.72 1.63 0.92 0.52 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 5 V 7.48 4.48 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 0.72 0.00 0.00 0.93 0.00 0.00 6 Q 7.82 4.49 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 7 A 7.73 4.35 1.26 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 0.00 0.00 8 R 8.53 4.36 0.00 1.82 2.00 0.00 3.18 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 9 K 7.97 4.42 0.00 1.74 1.85 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.39 7.81 10 R 7.25 4.75 0.00 1.71 1.77 0.00 3.35 0.00 0.00 3.31 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 11 K 7.27 4.56 0.00 1.84 1.71 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.36 7.81 12 R 8.21 4.64 0.00 1.85 1.95 0.00 3.19 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 13 T 8.04 4.17 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 1.19 0.00 0.00 14 S 7.61 4.61 0.00 3.86 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 15 I 7.34 4.51 1.93 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.63 0.75 0.00 0.00 16 E 7.79 4.14 0.00 1.94 1.84 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 2.36 2.21 0.00 17 N 8.64 4.24 0.00 2.86 2.88 0.00 0.00 6.77 7.92 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 18 R 7.93 4.20 0.00 1.98 1.91 0.00 3.40 0.00 0.00 3.45 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 19 V 7.54 3.51 1.96 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 0.56 0.00 0.00 0.80 0.00 0.00 20 R 7.45 3.06 0.00 0.99 0.90 0.00 2.88 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.31 0.00 21 W 7.22 5.46 0.00 3.54 3.29 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 22 S 8.06 4.23 0.00 4.10 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 23 L 7.70 3.79 0.00 1.07 1.48 -0.69 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.61 4.72 0.00 2.92 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.82 0.00 25 T 7.79 4.03 4.35 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 1.34 0.00 0.00 26 M 7.73 4.14 0.00 1.67 1.87 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.87 0.00 27 F 8.06 4.72 0.00 3.54 3.51 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 0.00 28 L 7.83 4.74 0.00 1.76 1.76 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.06 4.41 0.00 1.87 1.94 0.00 1.50 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.48 1.46 7.81 30 C 7.67 4.88 0.00 2.96 2.86 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 0.00 0.00 0.00 0.00 31 P 0.00 4.75 0.00 2.23 2.20 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 32 K 7.62 4.69 0.00 1.88 1.88 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.42 7.81 33 P 0.00 4.50 0.00 2.42 2.38 0.00 3.94 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 34 S 8.54 4.53 0.00 3.91 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 35 L 8.45 4.14 0.00 1.83 1.85 0.94 0.56 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 36 Q 7.97 4.27 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.46 2.22 0.00 37 Q 7.97 4.04 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 38 I 7.78 3.92 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.70 0.96 0.00 0.00 39 T 7.78 3.86 4.29 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 1.21 0.00 0.00 40 H 8.18 4.11 0.00 3.21 3.28 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.69 3.60 2.04 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.55 0.96 0.00 0.00 42 A 7.91 3.91 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 43 N 7.75 4.33 0.00 2.56 2.79 0.00 0.00 7.11 7.57 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 44 Q 7.64 4.17 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.30 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 45 L 7.54 4.63 0.00 1.63 1.61 0.59 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.89 3.76 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 0.00 0.00 0.00 47 L 7.04 4.46 0.00 1.72 1.59 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.16 4.42 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 49 K 8.62 4.00 0.00 1.85 1.89 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.51 7.81 50 D 8.05 4.38 0.00 2.80 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.88 3.87 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 0.74 0.00 0.00 0.95 0.00 0.00 52 V 7.74 3.85 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 0.99 0.00 0.00 0.91 0.00 0.00 53 R 8.02 4.01 0.00 2.13 2.02 0.00 3.31 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 54 V 7.72 3.69 2.17 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 1.07 0.00 0.00 1.00 0.00 0.00 55 W 8.13 4.08 0.00 3.43 3.35 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 56 F 8.51 4.20 0.00 3.32 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 57 C 7.90 3.96 0.00 3.24 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 58 N 7.27 4.19 0.00 2.88 2.83 0.00 0.00 7.00 7.21 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 59 R 7.06 3.61 0.00 1.17 0.91 0.00 3.62 0.00 0.00 3.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.83 0.00 60 R 6.94 3.72 0.00 1.73 1.71 0.00 3.11 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.00 61 Q 7.24 4.59 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.15 0.00 62 K 7.74 4.05 0.00 1.65 1.77 0.00 1.66 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.39 1.19 7.81 63 G 7.16 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.19 4.25 0.00 1.70 1.83 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.33 7.81 65 R 7.46 4.56 0.00 1.82 1.85 0.00 2.98 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 66 S 7.92 4.60 0.00 3.96 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 67 S 8.37 4.18 0.00 3.77 3.68 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