NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 P 4.3439 0.0000 0.0000 62.5846 32.5222 176.4352 11 Y 4.0411 8.6929 120.5057 57.8219 38.3587 174.1403 12 H 4.7489 7.6861 115.4406 53.5560 30.9419 172.9018 13 P 4.5121 0.0000 0.0000 62.9362 31.9711 175.4989 14 S 4.9147 8.1378 114.4156 56.6441 66.2048 173.7237 15 E 4.3520 8.5978 121.9870 56.5288 30.5269 176.5175 16 C 5.1501 8.5568 120.0326 55.2770 44.6637 173.9152 17 C 4.6925 8.3086 117.9044 55.3635 41.6061 174.0484 18 F 4.4997 8.3431 122.1183 57.6223 40.3233 175.7083 19 T 4.4131 7.4015 113.5224 60.2180 70.2531 172.2225 20 Y 5.0482 7.9021 124.7128 56.2536 40.1216 175.6169 21 T 3.8407 8.3965 117.5696 62.5831 67.8236 174.4811 22 T 4.4743 8.0753 116.3654 61.7730 69.6963 173.9530 23 Y 4.8041 6.7220 120.0490 54.5159 40.8593 175.2623 24 K 2.0000 7.9912 122.7865 55.5984 32.7434 176.2778 25 I 4.0767 6.3757 126.7312 59.3687 38.3880 173.9832 26 P 4.2087 0.0000 0.0000 62.7830 31.9013 176.8397 27 R 3.3556 8.9699 123.7767 59.6108 29.8166 178.1018 28 Q 4.0807 7.9098 114.1668 58.0215 28.9315 176.9189 29 R 4.3601 8.3720 116.7269 56.0369 30.6557 175.7150 30 I 4.5569 7.4585 120.0989 60.4901 38.2692 174.9879 31 M 4.5005 8.9843 124.6806 57.0881 34.1351 174.4454 32 D 4.9303 7.9598 116.2479 54.3228 45.0338 173.0793 33 Y 5.3395 8.1981 116.4536 56.4909 40.5549 173.1111 34 Y 4.5986 8.1433 117.7495 55.7781 42.0589 173.3694 35 E 4.9700 8.7447 119.8428 55.3287 30.8310 176.6506 36 T 4.2482 8.4291 114.2622 61.3103 70.0668 173.4813 37 N 4.3011 8.2609 120.4156 54.1826 39.2462 176.0079 38 S 4.1434 9.0059 121.7116 61.8424 63.0845 175.6944 39 Q 4.1667 8.4693 117.7117 57.4931 28.7557 176.0016 40 C 4.4981 7.8300 116.0301 56.8062 40.8029 174.1574 41 S 4.2270 8.7211 117.3597 60.1785 63.1126 174.6780 42 K 4.7143 7.6754 118.0692 53.7617 35.0858 173.6281 43 P 4.5995 0.0000 0.0000 62.4413 32.6587 175.5913 44 G 4.3305 8.5791 106.6808 44.7189 0.0000 171.0921 45 I 4.7312 8.1635 122.9258 59.1118 39.8916 174.7194 46 V 4.4012 8.4294 127.9788 61.3228 32.8613 174.6257 47 F 5.1598 8.8202 127.2278 56.6271 41.2207 174.8313 48 I 5.0298 8.8162 123.9214 60.0372 39.2965 175.8551 49 T 4.8402 9.1368 118.1523 60.2146 70.6180 176.1373 50 K 3.9884 8.9478 121.6684 59.3785 32.0195 178.6638 51 R 4.0682 7.9206 115.4365 56.5148 30.2816 177.0719 52 G 3.9478 8.2198 106.4049 45.9239 0.0000 173.2982 53 H 4.9068 7.9352 116.2713 54.9800 30.6922 174.3343 54 S 5.3093 8.6352 116.5468 56.8836 65.2896 173.7856 55 V 4.4348 8.7530 124.2532 61.0813 34.4690 173.8607 56 C 5.1065 8.9200 126.4932 57.2252 37.5288 172.9377 57 T 5.0682 8.7884 112.9730 59.7040 72.7088 172.7857 58 N 3.2248 7.9896 121.2700 51.6400 38.8632 174.2046 59 P 3.9583 0.0000 0.0000 65.0329 31.5229 177.5238 60 S 4.2591 7.7622 111.0330 58.8817 63.5853 174.4818 61 D 4.4733 7.6770 123.3664 53.3190 42.2250 176.7125 62 K 3.7790 8.5722 125.4409 59.4968 32.3624 178.9863 63 W 4.0855 8.1318 116.3667 59.3838 27.7474 178.2278 64 V 2.8284 6.2824 118.3327 65.6993 30.9954 177.7803 65 Q 3.8735 7.6255 117.6804 59.1015 28.5348 178.7654 66 D 4.4295 8.3990 120.1533 57.5646 40.9681 178.5357 67 Y 4.2390 8.2867 117.2425 61.2308 37.6997 178.3494 68 I 3.3097 7.9367 119.9221 64.0794 37.1963 178.1349 69 K 4.0632 7.8657 119.3674 59.6159 32.2140 178.2857 70 D 4.4501 7.8932 116.0827 56.5794 41.1470 176.2956 71 M 4.4001 7.6845 123.0821 55.4638 32.3959 175.5058 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 10 P 0.00 4.34 0.00 1.96 1.67 0.00 3.53 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.04 0.00 11 Y 8.69 4.04 0.00 2.99 2.96 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 12 H 7.69 4.75 0.00 3.23 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.51 0.00 2.23 2.12 0.00 3.78 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 2.02 2.02 0.00 14 S 8.14 4.91 0.00 3.72 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 15 E 8.60 4.35 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.47 0.00 16 C 8.56 5.15 0.00 2.21 2.40 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 17 C 8.31 4.69 0.00 2.84 2.85 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 18 F 8.34 4.50 0.00 2.99 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 19 T 7.40 4.41 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 1.20 0.00 0.00 20 Y 7.90 5.05 0.00 3.02 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 21 T 8.40 3.84 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 22 T 8.08 4.47 4.32 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 0.00 0.00 0.00 1.26 0.00 0.00 23 Y 6.72 4.80 0.00 2.79 2.91 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 0.00 0.00 0.00 0.00 24 K 7.99 2.00 0.00 0.80 1.22 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.97 0.33 7.81 25 I 6.38 4.08 1.94 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.96 0.00 0.00 26 P 0.00 4.21 0.00 2.13 1.96 0.00 3.61 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 2.07 2.01 0.00 27 R 8.97 3.36 0.00 1.51 1.69 0.00 3.06 0.00 0.00 3.05 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 28 Q 7.91 4.08 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 29 R 8.37 4.36 0.00 1.85 1.94 0.00 3.25 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 30 I 7.46 4.56 1.86 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.54 1.07 0.00 0.00 31 M 8.98 4.50 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 32 D 7.96 4.93 0.00 2.82 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 33 Y 8.20 5.34 0.00 2.53 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 34 Y 8.14 4.60 0.00 2.92 2.87 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 35 E 8.74 4.97 0.00 1.92 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 2.36 2.41 0.00 36 T 8.43 4.25 4.39 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 1.25 0.00 0.00 37 N 8.26 4.30 0.00 2.91 2.73 0.00 0.00 7.57 7.51 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 38 S 9.01 4.14 0.00 3.89 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 39 Q 8.47 4.17 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.89 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 40 C 7.83 4.50 0.00 3.01 2.95 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 41 S 8.72 4.23 0.00 4.03 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 42 K 7.68 4.71 0.00 1.93 1.85 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.37 7.81 43 P 0.00 4.60 0.00 2.18 2.08 0.00 3.77 0.00 0.00 3.68 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 44 G 8.58 4.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.16 4.73 1.46 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.89 -0.01 0.00 0.00 46 V 8.43 4.40 0.67 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 0.82 0.00 0.00 0.68 0.00 0.00 47 F 8.82 5.16 0.00 3.18 3.02 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 48 I 8.82 5.03 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 1.01 0.00 0.00 49 T 9.14 4.84 4.41 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 0.00 0.00 1.33 0.00 0.00 50 K 8.95 3.99 0.00 1.74 1.93 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.59 7.81 51 R 7.92 4.07 0.00 1.58 1.80 0.00 3.20 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 52 G 8.22 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 53 H 7.94 4.91 0.00 3.14 3.26 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.64 5.31 0.00 3.79 3.83 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 55 V 8.75 4.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 1.07 0.00 0.00 56 C 8.92 5.11 0.00 3.01 3.15 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 0.00 0.00 0.00 0.00 57 T 8.79 5.07 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 1.62 0.00 0.00 58 N 7.99 3.22 0.00 1.76 2.55 0.00 0.00 6.95 7.71 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 59 P 0.00 3.96 0.00 1.92 1.93 0.00 3.35 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 60 S 7.76 4.26 0.00 3.91 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 61 D 7.68 4.47 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.57 3.78 0.00 1.85 1.85 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.76 7.81 63 W 8.13 4.09 0.00 3.21 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.28 2.83 1.68 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 0.77 0.00 0.00 -0.68 0.00 0.00 65 Q 7.63 3.87 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 66 D 8.40 4.43 0.00 2.94 2.87 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 Y 8.29 4.24 0.00 3.20 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.94 3.31 1.88 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.24 0.65 0.00 0.00 69 K 7.87 4.06 0.00 1.75 1.93 0.00 1.81 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.45 7.81 70 D 7.89 4.45 0.00 2.71 2.95 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 71 M 7.68 4.40 0.00 2.33 2.09 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00