NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.7188 8.2676 119.2054 53.6070 41.1178 176.3262 6 E 3.8495 7.9989 116.5597 58.4893 29.7505 177.6703 7 R 3.8901 8.1037 119.2726 59.1808 30.7578 179.8491 8 R 3.9172 7.8585 118.0139 59.4684 30.1244 178.5096 9 I 3.7475 7.9674 119.8272 64.2490 37.1276 178.0575 10 L 4.0120 8.4437 121.5301 58.3369 41.9067 178.9951 11 E 4.0905 8.2251 118.3378 59.2171 29.4171 178.9228 12 Q 4.0004 8.0339 119.3890 59.4199 29.0790 178.7996 13 K 4.2543 8.6685 119.7814 58.9415 32.1594 179.1189 14 K 4.1268 8.4778 120.7371 60.1404 32.0608 178.2742 15 H 4.4693 8.3819 118.1769 59.5955 29.8357 176.6211 16 Y 4.5023 8.1999 121.3685 60.5512 38.5352 177.2944 17 F 4.6776 9.3613 122.3486 60.6307 39.5307 177.0745 18 W 3.1184 8.2737 127.9726 59.7746 30.2687 177.8375 19 L 3.8206 8.1344 120.8394 57.6279 41.4377 178.7468 20 L 3.7709 8.1244 120.8013 58.1337 42.1634 178.7820 21 L 3.7449 8.3253 121.1208 57.8586 41.4451 178.6102 22 Q 4.3561 8.3076 121.5581 58.1269 28.6637 177.7339 23 R 3.8114 7.6611 119.1590 59.8881 30.1303 178.3771 24 T 4.1303 7.7973 114.4330 65.1067 69.5307 175.5485 25 Y 5.0335 7.9643 124.3233 56.1142 37.6651 176.4049 26 T 4.6355 7.7604 122.0396 62.1369 70.8342 174.4333 27 K 4.1383 8.6751 121.1344 60.3985 32.4099 177.8796 28 T 4.2546 7.7442 111.2446 63.0660 67.8041 175.1440 29 G 3.6332 7.5842 108.3604 47.4477 0.0000 172.5143 30 K 4.6513 7.8735 114.0727 52.6654 35.7345 174.4158 31 P 4.3321 0.0000 0.0000 62.2052 31.7828 176.0491 32 K 4.2422 8.7919 123.7764 56.0223 31.9872 174.3159 33 P 4.2502 0.0000 0.0000 62.2875 32.1992 176.8960 34 S 4.3856 8.6444 117.1966 61.1383 63.2634 175.5111 35 T 4.8958 7.5961 115.4487 60.5612 73.5393 174.6140 36 W 4.3539 9.0805 133.0839 59.7487 30.8848 177.9350 37 D 4.0116 8.0847 118.2778 57.4722 40.9236 177.9396 38 L 3.9566 7.7640 119.2461 58.1228 40.6467 178.8817 39 A 3.8372 7.2894 122.2233 55.1635 18.2909 179.8316 40 S 3.0170 7.0509 112.9139 60.6207 62.5626 176.5008 41 K 3.7072 7.1918 122.5989 59.2943 32.0114 178.0371 42 E 4.0744 7.6521 117.9760 58.7449 30.0333 177.9681 43 L 4.2370 8.1284 121.1694 56.8415 42.1796 175.4700 44 G 3.9226 7.5947 108.6975 47.1250 0.0000 172.4438 45 E 5.7923 8.4834 135.0000 57.2548 29.9009 177.7115 46 S 4.3044 7.4281 117.0768 58.1042 63.0880 174.9992 47 L 4.2550 8.5588 125.8760 57.2113 40.5252 178.2365 48 E 4.1546 8.1556 120.5152 58.4665 30.2589 176.9425 49 Y 4.2764 8.4615 118.5977 58.9762 38.8293 176.0718 50 K 3.9617 7.6339 118.0300 57.5862 32.6177 177.2357 51 A 4.3309 7.3927 119.0662 53.5122 18.9477 177.3342 52 L 4.6799 7.2511 116.3342 54.1312 42.9813 179.0003 53 G 3.5245 8.1390 109.4450 47.5738 0.0000 174.5415 54 D 4.7850 7.8886 116.8172 53.9655 42.3932 175.1642 55 E 4.6809 7.7191 118.2282 55.0057 30.1881 176.2138 56 D 4.3862 8.3058 121.0956 57.7100 41.8517 176.6441 57 N 4.3315 8.0654 116.8158 55.6935 37.3293 177.0760 58 I 3.5613 7.5551 121.7649 64.1811 37.2601 178.0844 59 R 3.5726 7.6167 119.5807 59.2382 30.0126 178.4741 60 R 2.5100 7.4161 115.8677 58.9536 29.0941 178.5847 61 Q 3.7399 7.5780 119.6211 58.8229 29.0868 178.1761 62 I 3.2732 7.7792 121.2346 63.8923 36.8200 177.8815 63 F 2.8737 7.1658 120.4671 61.1226 39.1705 176.5989 64 E 3.2740 7.1683 116.5159 58.8398 29.5338 177.6154 65 D 4.3304 7.1876 115.4052 55.2051 41.4124 177.6409 66 F 3.9188 6.9144 117.7836 59.7841 38.8673 173.1753 67 K 3.6545 7.7588 124.8250 55.3630 30.0128 173.6216 68 P 4.6497 0.0000 0.0000 63.2067 31.8687 176.4271 69 E 4.0821 8.7363 118.6526 57.0692 30.2800 173.9263 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 5 N 8.27 4.72 0.00 2.74 2.88 0.00 0.00 6.84 6.77 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 6 E 8.00 3.85 0.00 2.36 2.19 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 2.35 2.52 0.00 7 R 8.10 3.89 0.00 1.85 2.02 0.00 3.30 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 8 R 7.86 3.92 0.00 1.88 2.14 0.00 3.18 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.73 0.00 9 I 7.97 3.75 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 0.93 0.00 0.00 10 L 8.44 4.01 0.00 1.90 1.85 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.23 4.09 0.00 2.23 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 2.52 2.48 0.00 12 Q 8.03 4.00 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 13 K 8.67 4.25 0.00 2.08 1.93 0.00 1.75 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.91 7.81 14 K 8.48 4.13 0.00 2.09 2.15 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.63 7.81 15 H 8.38 4.47 0.00 3.35 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.20 4.50 0.00 3.31 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 17 F 9.36 4.68 0.00 3.32 3.40 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 18 W 8.27 3.12 0.00 3.15 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 19 L 8.13 3.82 0.00 1.98 1.99 0.96 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.12 3.77 0.00 1.78 1.64 0.86 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.33 3.74 0.00 1.54 1.78 1.47 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.31 4.36 0.00 0.93 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.16 5.99 0.00 0.00 0.00 0.00 0.00 2.04 1.74 0.00 23 R 7.66 3.81 0.00 2.00 1.99 0.00 3.40 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 24 T 7.80 4.13 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 25 Y 7.96 5.03 0.00 3.24 3.07 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 26 T 7.76 4.64 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 1.18 0.00 0.00 27 K 8.68 4.14 0.00 1.76 1.89 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.40 7.81 28 T 7.74 4.25 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 1.22 0.00 0.00 29 G 7.58 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 7.87 4.65 0.00 2.25 1.83 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.57 7.81 31 P 0.00 4.33 0.00 1.99 1.99 0.00 3.64 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 2.01 2.08 0.00 32 K 8.79 4.24 0.00 1.93 1.84 0.00 1.91 0.00 0.00 1.70 0.00 0.00 3.44 0.00 0.00 3.52 0.00 0.00 0.00 0.00 1.27 1.65 7.81 33 P 0.00 4.25 0.00 2.60 2.00 0.00 4.22 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.82 0.00 34 S 8.64 4.39 0.00 3.89 3.94 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 35 T 7.60 4.90 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 1.32 0.00 0.00 36 W 9.08 4.35 0.00 3.70 3.22 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 0.00 37 D 8.08 4.01 0.00 2.80 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 38 L 7.76 3.96 0.00 1.83 1.84 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.29 3.84 0.92 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 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.05 3.02 0.00 3.24 2.63 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 0.00 0.00 0.00 0.00 41 K 7.19 3.71 0.00 1.75 1.88 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.36 7.81 42 E 7.65 4.07 0.00 2.13 2.04 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 2.41 2.40 0.00 43 L 8.13 4.24 0.00 1.50 0.84 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.59 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.48 5.79 0.00 2.02 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 2.06 2.09 0.00 46 S 7.43 4.30 0.00 4.03 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 47 L 8.56 4.25 0.00 1.80 1.93 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.16 4.15 0.00 2.06 2.24 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 2.50 2.67 0.00 49 Y 8.46 4.28 0.00 3.86 3.38 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 0.00 50 K 7.63 3.96 0.00 1.81 1.79 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.28 7.81 51 A 7.39 4.33 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 52 L 7.25 4.68 0.00 1.39 1.57 0.26 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.14 3.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 D 7.89 4.78 0.00 2.56 2.60 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 0.00 0.00 0.00 0.00 55 E 7.72 4.68 0.00 2.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 56 D 8.31 4.39 0.00 2.75 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 57 N 8.07 4.33 0.00 2.95 3.04 0.00 0.00 6.09 7.53 0.00 0.00 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 I 7.56 3.56 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.35 0.84 0.00 0.00 59 R 7.62 3.57 0.00 1.35 1.89 0.00 4.00 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.11 0.00 60 R 7.42 2.51 0.00 1.79 1.42 0.00 2.97 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 61 Q 7.58 3.74 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 62 I 7.78 3.27 1.38 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.44 0.93 0.00 0.00 63 F 7.17 2.87 0.00 2.75 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 64 E 7.17 3.27 0.00 1.99 1.73 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 2.18 2.39 0.00 65 D 7.19 4.33 0.00 2.56 2.55 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 0.00 66 F 6.91 3.92 0.00 2.35 1.45 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 0.00 0.00 0.00 0.00 67 K 7.76 3.65 0.00 1.91 1.92 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.50 7.81 68 P 0.00 4.65 0.00 2.16 2.20 0.00 3.86 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.40 0.00 69 E 8.74 4.08 0.00 2.14 2.04 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 2.19 2.37 0.00