NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2549 8.1233 122.4550 51.4724 20.7193 175.8755 2 D 4.1856 8.6456 121.1032 54.7063 40.1328 175.7412 3 C 4.4815 9.0170 123.7057 59.3574 35.2324 174.0253 4 A 4.8247 7.3843 118.7183 50.2439 22.5707 174.7479 5 K 5.2073 8.1402 119.4908 53.5347 35.6968 177.0706 6 G 3.7653 7.9348 111.4938 45.0221 0.0000 171.9597 7 K 4.8218 7.7728 119.3323 54.5001 33.4139 176.3327 8 I 4.2399 8.0040 121.3453 60.6603 37.4880 176.1949 9 E 4.1335 8.9237 126.7089 58.9006 29.6244 176.9543 10 F 5.2598 7.2353 111.5547 55.6360 41.7825 172.4321 11 S 5.3612 8.8415 113.0312 56.6865 66.5912 173.3479 12 K 4.4718 8.4587 121.4608 55.2188 35.6239 174.0928 13 Y 4.5846 8.7492 129.4357 57.5183 39.5751 174.1757 14 N 4.8406 8.6947 124.7102 51.5199 40.4736 175.7539 15 E 4.0286 9.0696 123.0107 59.5421 29.6534 177.3683 16 D 4.6160 7.8774 115.5926 53.2997 39.4835 176.3850 17 D 4.2429 8.4133 117.4333 55.3362 39.0231 174.0216 18 T 4.3718 7.1135 110.3667 60.6548 71.3761 173.2898 19 F 5.1091 9.1990 124.4014 56.7911 42.3390 173.6064 20 T 5.3277 8.5965 123.1323 62.0981 71.0886 174.0369 21 V 4.8328 9.2822 118.1879 59.4290 36.0433 174.4080 22 K 4.6859 8.3153 125.7634 54.7803 33.6559 175.4648 23 V 4.3486 8.7194 127.1037 62.6145 34.9144 174.5860 24 D 4.0997 9.7322 124.8090 55.4817 39.0201 173.9862 25 G 3.9640 8.8552 105.7940 45.6978 0.0000 172.1704 26 K 4.5594 8.0798 118.9730 54.3390 36.4964 174.9402 27 E 4.8102 8.4484 123.2604 55.3457 31.2927 174.9377 28 Y 5.4252 9.0065 121.5590 55.9561 42.5679 174.4755 29 W 5.9308 8.7409 117.3379 55.3262 32.2160 173.8407 30 T 4.7819 9.1435 115.3957 60.2175 70.4512 174.1897 31 S 4.3587 8.4507 118.0470 57.7674 63.7863 174.4234 32 R 3.9518 7.7965 121.4613 56.0152 29.0941 177.2155 33 W 4.6969 8.3311 123.5699 60.3777 28.9574 178.0626 34 N 4.3619 8.4865 114.6761 56.4897 38.1658 177.0010 35 L 4.2107 8.2276 120.4218 57.3431 41.5084 179.3963 36 Q 3.1215 8.2300 118.8959 58.1956 28.7106 176.9568 37 P 4.2597 0.0000 0.0000 65.6546 31.1824 178.4325 38 L 3.8772 7.7075 118.5143 57.6050 41.7367 179.0627 39 L 4.2664 8.2235 119.1816 57.7367 41.6334 178.9035 40 L 4.1123 8.2196 120.7128 58.7354 41.8823 179.1618 41 S 4.1553 8.1881 114.3636 61.6355 62.8226 176.5814 42 A 4.1023 8.0352 123.1185 55.3524 18.2835 179.5212 43 Q 3.9765 8.3254 117.9369 59.4490 28.9940 178.2476 44 L 4.1372 8.3501 119.4254 57.1798 41.6982 178.6088 45 T 4.5925 7.5231 106.1535 60.3583 69.2970 174.3038 46 G 3.9484 7.9166 108.6126 46.8293 0.0000 174.1657 47 M 4.2504 7.9044 118.6541 55.9264 33.6230 175.5985 48 T 4.9267 8.7909 118.2955 62.4159 70.6561 174.3858 49 V 4.6105 8.6281 120.0488 59.8210 35.1240 175.3527 50 T 4.7917 7.9879 119.8847 60.7150 70.8336 173.6309 51 I 3.6479 7.7751 128.2500 60.8870 38.2805 175.4291 52 K 4.8480 8.1365 125.7883 54.7726 34.9449 175.4625 53 S 4.3947 8.3466 118.3506 57.7223 65.4662 173.8180 54 S 4.3005 8.7219 115.2383 60.1537 62.4119 173.9485 55 T 4.8095 7.5780 107.4748 59.9908 71.3907 173.9674 56 C 5.1038 8.1859 117.1980 56.4740 40.9964 174.9294 57 E 4.1051 8.1912 119.3075 56.0999 29.6285 176.1648 58 S 3.6966 8.3183 115.5733 60.3863 62.5934 174.8572 59 G 4.1058 8.8680 115.3016 45.0536 0.0000 173.9073 60 S 4.3821 7.4716 115.2869 58.2448 64.1547 173.9495 61 G 2.6546 7.9956 109.4063 45.1509 0.0000 172.9286 62 F 4.9990 8.1415 115.6905 54.9281 41.0996 174.0191 63 A 4.5292 8.5622 121.1651 51.4089 20.1874 175.1829 64 E 4.9063 8.2505 118.9361 55.4104 33.0917 174.7059 65 V 4.7126 8.3587 124.8182 60.6660 34.4602 172.7279 66 Q 4.5466 8.5225 125.9337 54.6267 31.0321 173.8748 67 F 5.0896 8.9221 124.4922 55.9093 40.9060 174.6859 68 N 5.1827 9.2593 120.9943 51.3404 42.3165 174.9338 69 N 4.8438 8.9380 117.3560 53.6567 38.9709 175.3008 70 D 4.6416 8.0210 124.0127 54.7590 40.7952 176.7938 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 A 8.12 4.25 1.23 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 0.00 0.00 2 D 8.65 4.19 0.00 2.59 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 3 C 9.02 4.48 0.00 2.47 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 4 A 7.38 4.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.14 5.21 0.00 1.57 1.56 0.00 1.61 0.00 0.00 2.32 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.43 7.81 6 G 7.93 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.77 4.82 0.00 1.76 1.77 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.41 7.81 8 I 8.00 4.24 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.47 1.00 0.00 0.00 9 E 8.92 4.13 0.00 1.76 2.05 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 2.35 2.21 0.00 10 F 7.24 5.26 0.00 3.06 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 11 S 8.84 5.36 0.00 3.81 4.03 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 12 K 8.46 4.47 0.00 1.85 1.68 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.39 7.81 13 Y 8.75 4.58 0.00 3.29 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 14 N 8.69 4.84 0.00 2.63 2.57 0.00 0.00 6.17 7.45 0.00 0.00 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 9.07 4.03 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 16 D 7.88 4.62 0.00 2.66 2.61 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 17 D 8.41 4.24 0.00 2.67 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 18 T 7.11 4.37 4.31 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 0.00 0.00 0.00 0.94 0.00 0.00 19 F 9.20 5.11 0.00 3.09 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 20 T 8.60 5.33 4.25 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 1.42 0.00 0.00 21 V 9.28 4.83 2.11 0.00 0.00 0.00 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 1.14 0.00 0.00 22 K 8.32 4.69 0.00 0.79 0.97 0.00 1.26 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.14 1.08 7.81 23 V 8.72 4.35 2.01 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 0.95 0.00 0.00 0.89 0.00 0.00 24 D 9.73 4.10 0.00 2.87 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 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 26 K 8.08 4.56 0.00 1.67 1.27 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.28 1.54 7.81 27 E 8.45 4.81 0.00 1.84 1.85 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 2.13 2.22 0.00 28 Y 9.01 5.43 0.00 2.77 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 29 W 8.74 5.93 0.00 3.41 3.16 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 0.00 0.00 0.00 0.00 30 T 9.14 4.78 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 1.13 0.00 0.00 31 S 8.45 4.36 0.00 3.76 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 32 R 7.80 3.95 0.00 1.83 1.93 0.00 3.30 0.00 0.00 3.08 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 33 W 8.33 4.70 0.00 3.40 3.20 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 0.00 34 N 8.49 4.36 0.00 2.75 2.95 0.00 0.00 6.92 7.85 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 35 L 8.23 4.21 0.00 1.87 1.76 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.23 3.12 0.00 1.99 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.03 2.45 0.00 37 P 0.00 4.26 0.00 2.23 2.30 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.06 0.00 38 L 7.71 3.88 0.00 1.98 1.59 0.85 0.53 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 39 L 8.22 4.27 0.00 1.78 2.06 1.29 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.22 4.11 0.00 1.90 1.86 1.13 0.96 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 41 S 8.19 4.16 0.00 3.90 3.91 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 42 A 8.04 4.10 1.72 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 0.00 0.00 43 Q 8.33 3.98 0.00 2.27 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 44 L 8.35 4.14 0.00 1.85 1.78 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.52 4.59 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 46 G 7.92 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 47 M 7.90 4.25 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.83 0.00 48 T 8.79 4.93 4.23 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 1.22 0.00 0.00 49 V 8.63 4.61 1.65 0.00 0.00 0.00 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 0.79 0.00 0.00 50 T 7.99 4.79 4.08 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 1.11 0.00 0.00 51 I 7.78 3.65 0.95 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.40 -0.42 0.00 0.00 52 K 8.14 4.85 0.00 1.63 1.59 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.37 7.81 53 S 8.35 4.39 0.00 3.77 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 54 S 8.72 4.30 0.00 3.84 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 55 T 7.58 4.81 4.55 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 0.00 0.00 0.00 1.21 0.00 0.00 56 C 8.19 5.10 0.00 2.98 3.16 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 0.00 0.00 0.00 0.00 57 E 8.19 4.11 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 2.41 2.38 0.00 58 S 8.32 3.70 0.00 3.67 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 59 G 8.87 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.47 4.38 0.00 4.13 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 61 G 8.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.14 5.00 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.56 4.53 1.17 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 0.00 0.00 64 E 8.25 4.91 0.00 2.01 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 2.26 2.30 0.00 65 V 8.36 4.71 1.86 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 0.78 0.00 0.00 0.23 0.00 0.00 66 Q 8.52 4.55 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 67 F 8.92 5.09 0.00 2.93 2.99 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 68 N 9.26 5.18 0.00 2.76 2.75 0.00 0.00 6.59 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.94 4.84 0.00 2.73 2.86 0.00 0.00 6.94 8.06 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 70 D 8.02 4.64 0.00 2.66 2.61 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