NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4238 8.3344 115.4126 58.1063 63.4263 172.5145 3 I 4.4042 7.7240 121.8842 57.0181 40.5667 174.9970 4 S 4.1786 8.9978 121.5551 60.7129 63.9995 173.8099 5 A 4.0173 7.2175 124.5698 52.4219 17.8638 177.5953 6 R 4.0409 8.5716 122.2003 58.4056 30.8579 176.4080 7 N 4.8004 7.7674 115.3862 51.9413 40.0047 174.5281 8 Q 4.5760 8.6645 122.7924 54.2351 32.1104 174.9051 9 L 4.6951 8.8469 125.6992 52.4396 44.1757 176.6955 10 K 4.5385 8.7793 124.1643 56.8039 33.0571 176.5704 11 G 4.1538 9.0453 110.1422 45.6169 0.0000 171.3463 12 K 5.1290 8.7362 120.4913 54.0667 35.5396 175.4485 13 V 4.2368 8.7224 127.7057 63.4747 31.9987 176.3871 14 V 4.3735 9.0042 120.8514 61.2578 33.3011 176.0333 15 G 4.3904 7.7644 107.0987 44.6166 0.0000 172.0621 16 L 5.1553 8.3653 124.4914 53.4058 45.4929 174.6681 17 K 4.5303 9.3312 127.6974 54.6374 35.0770 174.7136 18 K 4.5792 8.8531 127.4293 55.4440 33.1656 177.0226 19 G 4.2900 8.5633 115.7072 44.8582 0.0000 173.1329 20 V 3.9128 8.4560 117.9351 64.4446 32.6109 177.6963 21 V 4.2983 7.8020 118.4883 63.7851 33.8187 175.1870 22 T 5.2073 7.7070 108.4158 59.8552 72.7167 172.3864 23 A 4.9953 9.0025 121.5813 50.5453 23.1969 174.7098 24 E 5.0110 9.3924 122.2037 54.5124 31.9211 174.7424 25 V 4.7719 9.0447 127.3417 61.0696 34.3530 174.1256 26 V 4.8559 8.8656 127.9974 61.0734 34.1196 174.0438 27 L 5.2096 9.0757 127.5307 52.8699 44.9700 175.0693 28 E 4.8062 9.3777 125.6368 55.5456 31.3230 175.3366 29 I 5.1793 8.7042 120.1216 58.3875 41.3744 174.3895 30 A 4.1071 8.5014 124.4417 54.2305 18.3230 178.1752 31 G 3.8679 8.6127 110.5723 44.9825 0.0000 174.5170 32 G 3.9624 8.1187 107.8406 44.7242 0.0000 173.7671 33 N 4.5191 7.9332 116.9933 53.7118 39.8558 173.8017 34 K 5.0895 8.5499 120.0256 54.7612 35.1768 175.4956 35 I 4.5803 8.8235 125.0061 59.8000 40.1256 174.6202 36 T 5.0547 8.4996 122.0718 61.7779 71.1990 173.2803 37 S 4.7717 9.2646 121.1682 56.3994 65.7403 172.5280 38 I 5.0712 8.4525 127.0871 59.6466 39.2199 174.5403 39 I 4.8560 8.4298 120.2231 58.5180 41.8717 174.9139 40 S 4.6775 8.4585 116.0136 57.7843 63.8332 175.0204 41 L 3.9760 8.8329 124.7153 58.5056 41.7416 179.2230 42 D 4.3993 8.0995 118.4376 57.5394 40.7724 178.8729 43 S 4.1530 7.9044 115.1701 61.3739 62.7636 176.6704 44 V 3.6079 7.6340 120.5384 66.0440 31.1547 177.9628 45 E 3.9367 8.2006 118.0363 59.6860 29.1834 179.3062 46 E 3.9916 8.0123 117.0187 59.0058 29.6168 178.5632 47 L 4.3848 8.4239 116.6919 53.7140 42.3186 176.6688 48 G 3.9624 8.1256 107.2295 46.0844 0.0000 174.5410 49 V 3.6840 7.8884 119.3423 62.4413 32.2766 174.9699 50 K 4.5913 8.1948 124.4096 55.0330 35.5112 174.6369 51 E 4.1462 8.5568 120.5207 57.8864 29.8707 177.7195 52 G 3.9216 9.0306 114.8219 45.0473 0.0000 173.7238 53 A 4.1682 7.8066 122.0182 52.1059 19.7280 176.3879 54 E 4.8412 8.6404 120.6732 55.3907 30.7843 175.5691 55 L 4.9017 9.0698 123.9107 53.6094 47.2260 175.0780 56 T 5.0782 8.3417 115.2997 61.8694 71.5416 173.8712 57 A 4.4875 9.0107 128.5503 51.1462 20.4162 176.2716 58 V 4.9028 8.3138 121.2996 61.0684 34.5630 174.9286 59 V 4.4901 8.4900 126.4373 60.8001 35.1666 174.5317 60 K 4.2220 8.6955 128.7341 56.1634 33.1218 177.6832 61 S 4.1396 8.8164 121.8714 61.9602 62.9076 176.4116 62 T 4.0704 7.8830 108.0603 63.4465 68.5950 174.2993 63 D 4.6291 8.0092 121.3610 54.1836 41.3325 176.0354 64 V 4.1589 7.4866 120.5128 61.4947 32.3508 175.3322 65 M 4.5028 8.3952 126.6555 54.2883 33.4528 175.3255 66 I 4.5149 8.0553 120.8292 59.3532 39.8905 174.9980 67 L 4.7224 8.4411 125.6710 53.1584 44.4239 175.8667 68 A 4.2288 8.3249 126.8808 52.5359 19.2549 175.6424 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 2 S 8.33 4.42 0.00 3.99 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 3 I 7.72 4.40 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.91 0.00 0.00 4 S 9.00 4.18 0.00 4.01 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 5 A 7.22 4.02 1.33 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 6 R 8.57 4.04 0.00 1.81 2.00 0.00 3.20 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 7 N 7.77 4.80 0.00 2.86 2.75 0.00 0.00 6.57 7.31 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 8 Q 8.66 4.58 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 9 L 8.85 4.70 0.00 1.54 1.56 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.78 4.54 0.00 1.64 1.74 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.45 7.81 11 G 9.05 4.15 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 0.00 0.00 0.00 12 K 8.74 5.13 0.00 1.80 1.61 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.49 7.81 13 V 8.72 4.24 2.21 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 1.06 0.00 0.00 0.93 0.00 0.00 14 V 9.00 4.37 2.08 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 0.78 0.00 0.00 0.99 0.00 0.00 15 G 7.76 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 0.00 0.00 0.00 0.00 16 L 8.37 5.16 0.00 1.59 1.50 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 K 9.33 4.53 0.00 1.80 1.60 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.38 7.81 18 K 8.85 4.58 0.00 1.68 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.43 7.81 19 G 8.56 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 0.00 0.00 0.00 0.00 20 V 8.46 3.91 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 21 V 7.80 4.30 2.08 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 0.99 0.00 0.00 0.93 0.00 0.00 22 T 7.71 5.21 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 1.21 0.00 0.00 23 A 9.00 5.00 1.20 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 0.00 0.00 24 E 9.39 5.01 0.00 1.99 1.81 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 2.21 2.22 0.00 25 V 9.04 4.77 2.08 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 0.94 0.00 0.00 0.93 0.00 0.00 26 V 8.87 4.86 2.08 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 0.93 0.00 0.00 0.93 0.00 0.00 27 L 9.08 5.21 0.00 1.54 1.51 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.38 4.81 0.00 2.00 1.80 0.00 0.00 0.00 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 2.25 0.00 29 I 8.70 5.18 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.67 0.95 0.00 0.00 30 A 8.50 4.11 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 31 G 8.61 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 0.00 0.00 0.00 32 G 8.12 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 33 N 7.93 4.52 0.00 2.69 2.76 0.00 0.00 6.92 7.68 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 34 K 8.55 5.09 0.00 1.60 1.68 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.42 7.81 35 I 8.82 4.58 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.91 0.00 0.00 36 T 8.50 5.05 4.24 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 0.00 0.00 1.25 0.00 0.00 37 S 9.26 4.77 0.00 3.82 3.65 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 38 I 8.45 5.07 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.78 0.91 0.00 0.00 39 I 8.43 4.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.29 0.91 0.00 0.00 40 S 8.46 4.68 0.00 4.02 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 41 L 8.83 3.98 0.00 1.74 1.71 0.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.10 4.40 0.00 2.72 2.71 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 0.00 0.00 0.00 0.00 43 S 7.90 4.15 0.00 4.04 3.90 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 44 V 7.63 3.61 2.26 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 1.12 0.00 0.00 0.97 0.00 0.00 45 E 8.20 3.94 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 46 E 8.01 3.99 0.00 1.95 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 0.00 2.34 2.52 0.00 47 L 8.42 4.38 0.00 1.61 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.13 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 49 V 7.89 3.68 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 50 K 8.19 4.59 0.00 1.92 1.84 0.00 1.57 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.42 7.81 51 E 8.56 4.15 0.00 2.02 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 2.38 2.32 0.00 52 G 9.03 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 53 A 7.81 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 4.84 0.00 1.86 1.90 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 2.26 2.33 0.00 55 L 9.07 4.90 0.00 1.51 1.51 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.34 5.08 4.24 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 0.00 0.00 1.21 0.00 0.00 57 A 9.01 4.49 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 58 V 8.31 4.90 2.08 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 0.86 0.00 0.00 0.93 0.00 0.00 59 V 8.49 4.49 2.08 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 0.88 0.00 0.00 0.93 0.00 0.00 60 K 8.70 4.22 0.00 1.83 1.65 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.46 7.81 61 S 8.82 4.14 0.00 3.92 3.90 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 62 T 7.88 4.07 4.24 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 0.00 0.00 1.21 0.00 0.00 63 D 8.01 4.63 0.00 2.84 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 64 V 7.49 4.16 2.18 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 0.78 0.00 0.00 0.98 0.00 0.00 65 M 8.40 4.50 0.00 2.04 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 66 I 8.06 4.51 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.88 0.91 0.00 0.00 67 L 8.44 4.72 0.00 1.54 1.50 0.92 0.96 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 68 A 8.32 4.23 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 0.00 0.00