NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2789 8.1801 120.6323 54.3519 42.1356 175.7899 2 A 4.1688 7.3820 124.2723 51.7474 22.6399 174.4313 3 A 4.6771 8.7552 115.3643 51.9229 20.4614 176.6310 4 V 4.0180 7.8347 121.9427 63.2195 30.9286 174.6259 5 S 4.7468 8.2820 120.5452 56.1381 65.4908 173.6311 6 V 4.1766 8.1721 124.6070 62.1756 32.4880 174.3436 7 D 5.0705 8.4423 121.6613 52.7934 43.0293 176.6447 8 C 5.4000 8.3090 122.2268 56.7053 41.1105 174.8505 9 S 4.6183 8.4172 110.9253 58.8612 62.1717 173.4835 10 E 4.6402 8.0067 115.4194 56.4528 30.3802 175.0683 11 Y 4.4206 7.8161 116.9705 55.5824 40.3604 173.1967 12 P 5.1260 0.0000 0.0000 61.9687 33.0560 175.2809 13 K 4.6203 8.2249 118.0298 54.1158 34.5995 175.2356 14 P 4.7017 0.0000 0.0000 62.8482 31.2526 175.8072 15 A 4.5701 7.6906 121.8419 51.5952 21.7988 176.0075 16 C 4.5625 8.9666 122.3282 56.7205 44.7351 173.1321 17 T 3.8025 7.8022 115.6057 62.9246 65.9448 172.1667 18 L 4.3146 8.0373 116.1239 54.3154 39.5600 175.6794 19 E 4.4012 7.7677 117.4654 56.8739 29.4837 176.3753 20 Y 5.0199 8.2606 116.6443 57.3074 39.6459 174.8241 21 R 4.3991 8.9225 122.6648 52.4697 31.5973 171.1337 22 P 5.2762 0.0000 0.0000 62.5447 31.9333 174.6365 23 L 4.2416 8.0635 126.3281 53.4651 43.6948 176.2699 24 C 4.9751 8.0357 122.5096 55.6668 37.3018 174.0992 25 G 4.5430 9.1379 112.4360 46.7875 0.0000 173.1165 26 S 4.8920 9.1280 113.3811 58.9581 63.2001 174.7608 27 D 4.7169 8.3378 118.8159 53.1058 40.1011 175.4107 28 N 4.3524 8.0841 117.3248 54.5174 37.6780 173.7856 29 K 4.5192 8.0201 118.4187 54.5925 34.3890 175.0712 30 T 4.5534 8.5009 125.1361 63.5719 69.4291 173.6911 31 Y 4.3496 8.5440 123.8843 56.4724 40.3669 176.7153 32 G 4.2084 9.0626 114.4578 48.2071 0.0000 172.5858 33 N 5.8940 8.0668 115.6608 49.0570 40.4402 174.1853 34 K 3.9621 8.9431 116.6683 60.7832 32.2664 177.7112 35 C 4.4314 8.1361 116.3598 57.9017 40.1770 175.3224 36 N 4.2905 8.4878 119.5019 55.9700 38.0305 177.0722 37 F 2.6999 8.4305 121.7677 60.5648 39.4570 176.5653 38 C 3.8712 7.9295 116.1776 58.9931 39.0843 175.4882 39 N 4.1382 8.0430 118.2370 55.5598 37.6729 177.2164 40 A 3.8471 6.7919 122.2993 54.7408 18.5706 179.7603 41 V 3.2688 6.8067 116.5488 66.0071 31.2592 178.7395 42 V 3.6763 7.4014 111.4973 63.7191 31.5058 177.1119 43 E 4.4751 7.7274 116.5155 55.9369 29.8187 176.0524 44 S 4.4468 7.2891 109.0416 57.0424 63.6198 174.5467 45 N 4.0981 8.9043 114.1318 54.3496 35.6115 174.7672 46 G 3.8506 8.0849 106.2759 46.0548 0.0000 175.5466 47 T 3.9249 7.5679 108.6759 62.3356 68.5809 175.2467 48 L 3.8791 6.5532 125.4218 52.5749 42.6650 179.3281 49 T 3.4879 7.5639 108.4420 60.7370 69.3907 170.2434 50 L 5.3297 8.0062 121.0362 53.5835 45.1060 175.7107 51 S 4.7384 8.3662 116.3165 59.0506 65.1669 174.6879 52 H 4.7415 7.4540 113.1938 54.3173 30.6177 172.8170 53 F 3.9433 9.1112 122.2868 57.6890 38.8039 175.7244 54 G 4.0437 7.4035 113.4988 43.3370 0.0000 172.0742 55 K 4.2022 7.8187 119.3729 56.0589 32.8998 178.1720 56 C 4.5882 8.2427 118.1750 57.4348 41.1800 173.7935 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 L 8.18 4.28 0.00 1.64 1.73 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 2 A 7.38 4.17 1.25 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 0.00 0.00 0.00 3 A 8.76 4.68 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 4 V 7.83 4.02 2.39 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 0.62 0.00 0.00 0.97 0.00 0.00 5 S 8.28 4.75 0.00 3.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.17 4.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.07 0.00 0.00 7 D 8.44 5.07 0.00 2.68 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 8 C 8.31 5.40 0.00 2.91 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 9 S 8.42 4.62 0.00 3.90 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 10 E 8.01 4.64 0.00 1.77 1.74 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 2.19 2.27 0.00 11 Y 7.82 4.42 0.00 3.18 2.88 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 12 P 0.00 5.13 0.00 2.25 2.18 0.00 3.74 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 1.98 2.01 0.00 13 K 8.22 4.62 0.00 2.02 1.59 0.00 0.87 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.93 1.03 7.81 14 P 0.00 4.70 0.00 2.18 2.15 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 15 A 7.69 4.57 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.97 4.56 0.00 3.01 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 17 T 7.80 3.80 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 18 L 8.04 4.31 0.00 1.76 2.14 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.77 4.40 0.00 2.03 2.02 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 2.37 2.30 0.00 20 Y 8.26 5.02 0.00 2.85 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 21 R 8.92 4.40 0.00 1.76 1.80 0.00 3.19 0.00 0.00 3.25 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 22 P 0.00 5.28 0.00 1.89 1.85 0.00 3.49 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.20 0.00 23 L 8.06 4.24 0.00 0.33 0.34 0.82 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.04 4.98 0.00 2.51 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 25 G 9.14 4.54 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 9.13 4.89 0.00 3.88 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 27 D 8.34 4.72 0.00 2.79 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 28 N 8.08 4.35 0.00 2.80 3.16 0.00 0.00 6.90 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.02 4.52 0.00 2.23 1.92 0.00 1.55 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.30 1.31 7.81 30 T 8.50 4.55 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 31 Y 8.54 4.35 0.00 3.44 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.06 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 N 8.07 5.89 0.00 2.89 3.06 0.00 0.00 6.57 7.43 0.00 0.00 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 K 8.94 3.96 0.00 2.09 2.19 0.00 1.60 0.00 0.00 1.97 0.00 0.00 3.13 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.61 1.70 7.81 35 C 8.14 4.43 0.00 3.46 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.49 4.29 0.00 3.20 3.31 0.00 0.00 7.17 8.27 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 37 F 8.43 2.70 0.00 3.15 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.87 0.00 1.66 1.18 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 39 N 8.04 4.14 0.00 2.82 2.85 0.00 0.00 6.82 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 6.79 3.85 0.54 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 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.81 3.27 1.91 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 0.85 0.00 0.00 0.39 0.00 0.00 42 V 7.40 3.68 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 1.03 0.00 0.00 0.96 0.00 0.00 43 E 7.73 4.48 0.00 2.06 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 44 S 7.29 4.45 0.00 3.79 3.64 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 8.90 4.10 0.00 2.90 2.91 0.00 0.00 7.09 7.64 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 46 G 8.08 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.57 3.92 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 1.21 0.00 0.00 48 L 6.55 3.88 0.00 1.32 1.29 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.56 3.49 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 1.25 0.00 0.00 50 L 8.01 5.33 0.00 1.14 1.27 -0.37 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.37 4.74 0.00 3.92 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 52 H 7.45 4.74 0.00 3.32 3.34 0.00 5.47 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 9.11 3.94 0.00 2.93 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.40 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.82 4.20 0.00 1.77 1.75 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.45 7.81 56 C 8.24 4.59 0.00 2.95 3.28 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