NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8645 8.1976 109.7305 44.8418 0.0000 174.1027 2 P 3.9555 0.0000 0.0000 63.2939 31.5571 174.9591 3 Y 4.7966 7.0973 116.0110 57.9482 39.1844 176.6071 4 H 4.4415 7.4199 116.0649 54.6128 29.1361 173.5551 5 P 4.5837 0.0000 0.0000 62.7382 32.1626 175.4547 6 S 4.8632 8.1309 114.1485 56.3903 65.5318 174.1849 7 E 4.2349 8.7469 123.6844 56.5390 29.8861 177.1651 8 C 4.9603 8.5118 120.0926 55.1585 43.7320 173.8745 9 C 4.6709 8.2342 119.7250 55.5956 41.3448 173.5887 10 F 4.5107 8.4862 122.1428 57.9348 40.6999 176.2037 11 T 4.4499 7.5840 108.8297 59.8032 71.1663 172.6929 12 Y 4.9955 8.1209 122.4778 56.4750 39.8615 175.4011 13 T 4.2154 8.5910 118.0305 62.4490 67.9623 174.7507 14 T 4.2628 8.2545 116.6270 62.4700 69.7188 174.0856 15 Y 4.4680 7.4925 120.8552 55.9097 39.1679 175.7017 16 K 2.0000 7.7988 123.9880 55.7651 32.5480 176.4596 17 I 3.9841 7.1077 124.1114 59.6020 38.0767 174.1624 18 P 4.2376 0.0000 0.0000 62.9877 31.7980 177.6996 19 R 3.7518 8.5768 121.8464 59.0892 30.2001 178.8061 20 Q 4.1119 7.9463 115.4997 58.1323 29.0309 177.2124 21 R 4.2274 8.1504 116.4748 56.9782 30.7018 175.9610 22 I 4.5327 7.4203 119.8833 60.7901 37.8106 175.2364 23 M 4.4345 8.9553 125.5053 57.0070 33.6152 175.2220 24 D 4.7176 7.8554 116.2423 54.3842 44.9229 173.7649 25 Y 5.4178 8.2987 117.3610 55.9811 41.1449 173.5227 26 Y 4.6858 8.4718 117.2734 55.5695 42.0089 173.2628 27 E 4.9268 8.7720 121.7585 55.4013 30.8183 175.9797 28 T 4.3768 8.6463 117.4637 60.9556 70.2851 173.9445 29 N 4.2041 8.9840 121.1105 54.2961 39.1898 175.9271 30 S 4.2765 8.6596 119.4120 60.8052 63.2818 175.3604 31 Q 4.1369 8.7679 120.0229 58.1040 27.3450 176.1146 32 C 4.4551 8.1447 116.4954 56.6628 40.7457 175.0478 33 S 4.2603 8.6580 117.0745 60.4493 62.8607 174.6437 34 K 4.7159 7.0547 117.5040 53.3964 35.2692 174.3294 35 P 4.5001 0.0000 0.0000 63.0134 32.1123 176.1782 36 G 4.2990 8.2270 106.0865 45.2732 0.0000 171.7025 37 I 4.7046 8.4280 124.8968 59.2081 39.8348 174.6059 38 V 4.4839 8.1331 127.9329 61.2407 33.3087 174.3329 39 F 5.1135 9.0899 127.1892 56.3330 41.1516 174.7793 40 I 4.9930 8.9827 125.1111 60.4374 38.9240 175.6011 41 T 5.4842 8.8436 117.4821 58.9326 71.2676 175.6134 42 K 3.8908 8.8011 122.3148 59.2939 32.2146 177.2926 43 R 4.3159 8.0128 115.3155 55.7248 30.0330 176.6147 44 G 3.8425 8.1228 105.4780 46.4496 0.0000 173.7632 45 H 4.9730 7.6871 116.6346 54.6911 31.0046 174.3004 46 S 5.3435 8.6500 115.3254 56.8802 65.9611 173.9431 47 V 4.4887 8.7675 123.5635 61.1199 34.4334 173.9373 48 C 4.9623 9.0052 126.3224 57.3054 41.8421 172.8961 49 T 5.1000 8.9385 112.6152 59.9059 72.8807 172.1991 50 N 3.9028 7.8694 121.1830 51.5422 39.3794 174.1357 51 P 4.0622 0.0000 0.0000 64.9223 31.5779 177.3508 52 S 4.2977 7.8005 111.1188 58.7858 63.6763 174.2767 53 D 4.3382 7.6463 123.3862 53.7744 41.2265 177.0386 54 K 3.9875 8.8196 125.1164 59.4278 32.1255 178.9075 55 W 4.1188 8.0953 116.4629 59.4231 27.9046 178.3709 56 V 2.7740 6.2779 119.0463 65.5039 30.8689 178.0341 57 Q 3.8540 7.6356 117.2132 58.9901 28.6401 178.2271 58 D 4.4315 8.3042 120.0881 57.6807 41.0494 178.4297 59 Y 4.2277 8.4625 117.2810 61.4481 37.9494 178.8576 60 I 3.4460 7.9057 120.4911 64.2348 36.9031 178.3780 61 K 3.9453 7.8888 119.2750 59.6903 32.1864 178.2847 62 D 4.5393 8.0120 116.9538 56.5126 40.8679 177.7605 63 M 4.3253 7.6658 118.1703 55.9501 32.7938 176.7175 64 K 4.3448 7.4948 119.2348 55.9760 33.1598 175.6003 65 E 4.7902 8.4526 122.8732 54.4368 32.2245 175.9706 66 N 4.5414 8.6129 117.6316 53.1742 37.7229 174.9879 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 G 8.20 3.86 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 0.00 0.00 0.00 2 P 0.00 3.96 0.00 1.77 1.89 0.00 3.25 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.57 0.00 3 Y 7.10 4.80 0.00 3.04 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 4 H 7.42 4.44 0.00 3.28 3.32 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.58 0.00 2.25 2.15 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 6 S 8.13 4.86 0.00 3.86 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.75 4.23 0.00 2.18 2.03 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 2.37 2.44 0.00 8 C 8.51 4.96 0.00 2.63 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.23 4.67 0.00 2.85 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 10 F 8.49 4.51 0.00 3.03 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 11 T 7.58 4.45 4.26 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 1.23 0.00 0.00 12 Y 8.12 5.00 0.00 3.02 2.83 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 13 T 8.59 4.22 4.43 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 0.00 0.00 0.00 1.58 0.00 0.00 14 T 8.25 4.26 4.00 0.00 0.00 0.00 0.00 0.00 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 15 Y 7.49 4.47 0.00 2.95 2.73 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 16 K 7.80 2.00 0.00 1.21 0.93 0.00 1.49 0.00 0.00 1.45 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.73 7.81 17 I 7.11 3.98 1.92 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.58 0.95 0.00 0.00 18 P 0.00 4.24 0.00 2.14 1.96 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 19 R 8.58 3.75 0.00 1.70 1.74 0.00 2.76 0.00 0.00 2.92 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.25 0.00 20 Q 7.95 4.11 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 21 R 8.15 4.23 0.00 2.07 2.00 0.00 3.13 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 22 I 7.42 4.53 2.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.51 1.20 0.00 0.00 23 M 8.96 4.43 0.00 1.89 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 24 D 7.86 4.72 0.00 2.73 2.56 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 0.00 0.00 0.00 0.00 25 Y 8.30 5.42 0.00 2.33 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 26 Y 8.47 4.69 0.00 2.90 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 27 E 8.77 4.93 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 2.26 2.44 0.00 28 T 8.65 4.38 4.38 0.00 0.00 0.00 0.00 0.00 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 29 N 8.98 4.20 0.00 2.76 2.78 0.00 0.00 6.76 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.66 4.28 0.00 4.02 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 0.00 31 Q 8.77 4.14 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 32 C 8.14 4.46 0.00 3.11 2.89 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 33 S 8.66 4.26 0.00 4.03 4.09 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 0.00 0.00 0.00 0.00 34 K 7.05 4.72 0.00 1.65 1.77 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.35 1.28 7.81 35 P 0.00 4.50 0.00 2.03 1.96 0.00 3.80 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 2.03 2.09 0.00 36 G 8.23 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 0.00 0.00 0.00 0.00 37 I 8.43 4.70 1.54 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.73 0.15 0.00 0.00 38 V 8.13 4.48 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 0.87 0.00 0.00 0.67 0.00 0.00 39 F 9.09 5.11 0.00 3.15 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 40 I 8.98 4.99 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 1.48 0.79 1.00 0.00 0.00 41 T 8.84 5.48 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 1.34 0.00 0.00 42 K 8.80 3.89 0.00 1.76 1.91 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.49 7.81 43 R 8.01 4.32 0.00 1.87 1.92 0.00 3.38 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 44 G 8.12 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 0.00 0.00 0.00 45 H 7.69 4.97 0.00 3.13 3.27 0.00 5.56 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 46 S 8.65 5.34 0.00 3.81 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 47 V 8.77 4.49 2.32 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 1.25 0.00 0.00 1.07 0.00 0.00 48 C 9.01 4.96 0.00 3.13 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 49 T 8.94 5.10 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 1.60 0.00 0.00 50 N 7.87 3.90 0.00 1.47 2.35 0.00 0.00 6.91 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 51 P 0.00 4.06 0.00 1.93 1.95 0.00 3.45 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.91 0.00 52 S 7.80 4.30 0.00 3.90 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 53 D 7.65 4.34 0.00 2.30 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 54 K 8.82 3.99 0.00 1.80 1.83 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.70 1.50 7.81 55 W 8.10 4.12 0.00 3.28 3.14 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 0.00 56 V 6.28 2.77 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 -0.67 0.00 0.00 57 Q 7.64 3.85 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 58 D 8.30 4.43 0.00 3.00 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 59 Y 8.46 4.23 0.00 3.22 3.10 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 0.00 0.00 0.00 0.00 60 I 7.91 3.45 1.82 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.21 0.72 0.00 0.00 61 K 7.89 3.95 0.00 1.86 2.04 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 62 D 8.01 4.54 0.00 2.72 2.70 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 63 M 7.67 4.33 0.00 2.26 2.40 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.64 0.00 64 K 7.49 4.34 0.00 1.97 1.76 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.48 7.81 65 E 8.45 4.79 0.00 1.99 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 2.23 2.28 0.00 66 N 8.61 4.54 0.00 2.83 2.80 0.00 0.00 5.93 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