NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2060 8.3331 121.7125 55.3335 30.1232 173.3287 2 G 3.8366 8.7178 104.4760 45.2217 0.0000 172.9459 3 H 4.4945 8.2471 118.2432 57.2320 31.5612 172.7739 4 M 4.1651 7.9754 118.3764 55.3691 30.8368 174.9029 5 I 4.2403 8.0121 117.9570 60.6390 38.1695 176.5238 6 M 4.2218 7.7090 121.8176 54.5649 30.5747 174.4528 7 A 4.8859 7.8702 124.4204 49.3781 23.0413 174.9825 8 K 4.4704 8.5814 119.1253 55.6296 33.1606 176.4450 9 R 4.7044 8.1954 121.0018 54.4671 33.4036 173.6641 10 C 4.4665 9.1212 119.7794 59.6358 31.4706 174.2049 11 E 4.2324 9.0483 127.1050 57.7551 29.5628 178.0736 12 V 3.9689 7.7902 118.3429 64.8394 32.0858 176.2417 13 C 4.6241 8.2558 113.1113 59.0530 29.8314 174.8496 14 G 4.0210 8.3379 108.1063 44.8964 0.0000 174.1759 15 K 4.3497 7.6794 118.4130 56.1041 33.4332 176.4371 16 A 4.5576 8.4158 124.3514 51.0314 19.8328 176.4031 17 P 4.5404 0.0000 0.0000 61.9503 30.5814 175.6326 18 R 4.4320 8.2528 121.0425 56.1226 29.8642 177.4580 19 S 4.3887 7.7497 115.0568 58.2816 64.6053 173.3874 20 G 4.4814 8.3166 113.8466 44.1789 0.0000 172.2517 21 N 4.6161 8.0583 118.8771 51.1065 37.0072 173.6672 22 T 4.3057 7.3464 114.6043 62.4352 71.9014 174.0905 23 V 3.7427 8.3050 121.3950 60.6774 31.9659 176.3786 24 S 4.6381 8.2170 119.5670 57.4270 63.6917 172.4728 25 H 4.8276 7.8839 118.7366 55.3836 32.2742 174.7687 26 S 4.0916 8.9436 116.7382 59.1743 60.3382 171.2660 27 D 4.4433 7.5713 121.4466 55.5477 40.9679 178.0487 28 K 3.9193 7.9574 115.8473 57.3212 31.8340 174.8422 29 K 4.2439 7.3923 115.7155 57.0865 33.8700 176.8416 30 S 3.8181 7.8868 114.6164 57.8578 63.1437 174.0505 31 E 4.1996 7.9386 130.8116 55.3777 28.2254 176.2035 32 R 3.7348 8.1390 121.4504 57.2038 28.8638 176.2646 33 W 3.3484 7.2207 117.8040 56.3429 29.0334 174.0634 34 F 4.8082 8.9610 115.9328 56.7486 40.5474 175.7356 35 R 4.5227 7.9336 121.1216 54.0145 31.4895 174.2084 36 P 4.1192 0.0000 0.0000 64.0209 30.5432 176.0405 37 N 4.3196 8.9159 118.6702 53.2778 36.6242 173.7502 38 L 4.9218 7.7791 119.3266 52.9399 43.9978 175.1185 39 Q 4.7200 8.1604 122.9362 53.9471 30.7901 175.2184 40 K 5.0509 8.6894 124.5595 55.9828 32.7204 176.8502 41 V 4.3973 8.3274 118.7059 59.3528 34.5605 175.3060 42 R 4.5073 8.6974 125.6246 56.3145 30.1899 175.6569 43 V 4.7671 8.9181 120.6208 59.5827 35.3934 174.9294 44 V 4.5321 8.2090 121.0602 60.1805 33.0312 175.4906 45 L 4.5377 9.0274 125.4025 53.0697 42.8817 176.3605 46 P 4.2970 0.0000 0.0000 64.9926 31.4557 177.0779 47 D 4.4337 7.9767 116.4683 54.6537 41.6204 175.8143 48 G 3.7296 9.2968 106.8897 45.5114 0.0000 172.7958 49 T 4.6945 7.1527 113.1864 62.1778 74.0830 174.4341 50 I 4.7655 8.1543 123.7063 59.4832 39.4996 175.1631 51 K 4.6111 8.9436 127.5295 54.6413 36.0317 174.9617 52 R 4.8822 8.5991 125.4925 55.6317 31.0289 175.6639 53 M 4.9688 8.5064 123.0912 53.3037 36.4898 175.4975 54 R 4.4525 9.8624 121.9927 56.0423 30.7303 175.5559 55 V 4.6696 8.3218 124.7925 60.8323 34.2934 174.8927 56 C 4.5736 8.6131 127.2030 59.1475 32.5429 174.2666 57 T 3.8724 8.5718 121.6392 66.7001 67.8657 176.7200 58 S 4.0690 8.0412 114.6287 61.7912 62.4095 175.9879 59 C 4.1867 8.0180 118.8066 62.6620 27.7066 175.9111 60 L 3.9890 8.0564 120.2934 57.6693 41.2770 179.1807 61 K 4.1067 8.3485 119.0550 59.4812 32.0785 178.6397 62 S 4.2757 8.4971 113.7599 59.0849 61.9811 175.1811 63 G 4.3869 8.0842 108.2391 46.3345 0.0000 173.4790 64 K 4.4143 7.5665 116.2235 56.4539 32.6642 176.7796 65 V 4.2384 7.3098 111.9825 59.7334 33.5608 175.9402 66 K 4.1634 8.4761 121.1333 56.4713 31.3692 176.8306 67 K 4.7352 8.4208 122.6932 55.2470 35.2283 175.3084 68 Y 4.5123 8.4672 119.8494 56.8921 39.0115 173.4193 69 V 3.1887 7.9550 122.7456 62.6711 28.7348 171.2175 70 G 4.1569 8.4030 114.0854 44.5670 0.0000 170.1165 71 Q 4.5291 8.1141 120.1242 54.2133 31.0335 175.1496 72 V 4.4320 8.2875 117.8883 60.8677 32.7324 175.7063 73 S 4.2107 8.0854 114.1438 58.8964 62.5146 174.0863 74 E 4.2655 8.6857 124.8635 57.3295 29.9598 176.7761 75 V 4.2576 7.0942 111.6469 59.5398 32.8511 176.1662 76 G 3.7122 8.4918 114.5814 47.7223 0.0000 173.6613 77 S 4.1579 7.6167 120.6759 58.2851 63.8392 174.5152 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 Q 8.33 4.21 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.27 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 2 G 8.72 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 3 H 8.25 4.49 0.00 3.09 3.34 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.98 4.17 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.46 0.00 5 I 8.01 4.24 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.76 0.96 0.00 0.00 6 M 7.71 4.22 0.00 1.99 2.03 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 2.55 2.53 0.00 7 A 7.87 4.89 1.19 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 0.00 0.00 0.00 0.00 0.00 8 K 8.58 4.47 0.00 1.65 1.78 0.00 1.59 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.50 7.81 9 R 8.20 4.70 0.00 1.87 1.90 0.00 3.31 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 10 C 9.12 4.47 0.00 2.98 2.93 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 11 E 9.05 4.23 0.00 1.98 1.99 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 2.35 2.38 0.00 12 V 7.79 3.97 2.09 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 0.81 0.00 0.00 0.94 0.00 0.00 13 C 8.26 4.62 0.00 2.97 2.93 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 14 G 8.34 4.02 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 0.00 0.00 0.00 15 K 7.68 4.35 0.00 1.74 1.74 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.45 7.81 16 A 8.42 4.56 1.22 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 0.00 0.00 17 P 0.00 4.54 0.00 2.15 2.12 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 18 R 8.25 4.43 0.00 1.93 2.05 0.00 3.03 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 19 S 7.75 4.39 0.00 3.83 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 20 G 8.32 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.06 4.62 0.00 2.70 2.78 0.00 0.00 6.90 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 22 T 7.35 4.31 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 23 V 8.30 3.74 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 0.70 0.00 0.00 0.93 0.00 0.00 24 S 8.22 4.64 0.00 3.77 3.71 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 25 H 7.88 4.83 0.00 3.15 3.11 0.00 5.75 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.94 4.09 0.00 4.07 4.06 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 0.00 0.00 0.00 0.00 27 D 7.57 4.44 0.00 2.94 2.80 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 0.00 0.00 0.00 28 K 7.96 3.92 0.00 1.95 1.93 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.35 7.81 29 K 7.39 4.24 0.00 1.87 1.83 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.35 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.53 1.14 7.81 30 S 7.89 3.82 0.00 3.35 3.36 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 31 E 7.94 4.20 0.00 1.83 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 32 R 8.14 3.73 0.00 1.97 2.01 0.00 3.45 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 33 W 7.22 3.35 0.00 3.68 3.21 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 0.00 0.00 0.00 0.00 34 F 8.96 4.81 0.00 3.07 3.03 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 35 R 7.93 4.52 0.00 2.23 1.88 0.00 3.34 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 36 P 0.00 4.12 0.00 2.06 2.08 0.00 3.83 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 2.05 2.14 0.00 37 N 8.92 4.32 0.00 2.99 2.97 0.00 0.00 7.05 6.74 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 38 L 7.78 4.92 0.00 1.75 1.59 0.98 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.16 4.72 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.07 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 40 K 8.69 5.05 0.00 1.63 1.77 0.00 1.75 0.00 0.00 2.36 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.54 1.32 7.81 41 V 8.33 4.40 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.96 0.00 0.00 42 R 8.70 4.51 0.00 1.85 1.94 0.00 3.23 0.00 0.00 3.22 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 43 V 8.92 4.77 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.99 0.00 0.00 44 V 8.21 4.53 1.70 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 0.90 0.00 0.00 0.84 0.00 0.00 45 L 9.03 4.54 0.00 1.64 1.59 0.90 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 P 0.00 4.30 0.00 2.03 2.11 0.00 3.66 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 47 D 7.98 4.43 0.00 2.65 2.69 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 0.00 0.00 0.00 48 G 9.30 3.73 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 0.00 0.00 0.00 49 T 7.15 4.69 4.20 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 1.17 0.00 0.00 50 I 8.15 4.77 1.76 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.60 0.84 0.00 0.00 51 K 8.94 4.61 0.00 1.73 1.55 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.38 7.81 52 R 8.60 4.88 0.00 1.72 1.85 0.00 3.18 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 53 M 8.51 4.97 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 54 R 9.86 4.45 0.00 1.82 1.91 0.00 3.09 0.00 0.00 3.11 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 55 V 8.32 4.67 2.10 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 0.95 0.00 0.00 1.02 0.00 0.00 56 C 8.61 4.57 0.00 3.01 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 3.87 4.28 0.00 0.00 0.00 0.00 0.00 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 58 S 8.04 4.07 0.00 3.89 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 59 C 8.02 4.19 0.00 3.14 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 60 L 8.06 3.99 0.00 1.79 1.75 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.35 4.11 0.00 1.78 1.96 0.00 1.70 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.49 7.81 62 S 8.50 4.28 0.00 4.00 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 63 G 8.08 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 64 K 7.57 4.41 0.00 1.69 1.90 0.00 1.48 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.45 7.81 65 V 7.31 4.24 2.10 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 0.72 0.00 0.00 0.95 0.00 0.00 66 K 8.48 4.16 0.00 1.76 1.82 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.44 7.81 67 K 8.42 4.74 0.00 1.85 1.77 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.39 7.81 68 Y 8.47 4.51 0.00 2.85 3.17 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 69 V 7.95 3.19 1.91 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 0.83 0.00 0.00 0.85 0.00 0.00 70 G 8.40 4.16 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 0.00 0.00 0.00 71 Q 8.11 4.53 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.00 7.37 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 72 V 8.29 4.43 2.09 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 0.73 0.00 0.00 0.95 0.00 0.00 73 S 8.09 4.21 0.00 3.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.69 4.27 0.00 2.00 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 2.29 2.33 0.00 75 V 7.09 4.26 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 0.74 0.00 0.00 0.94 0.00 0.00 76 G 8.49 3.71 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 0.00 0.00 0.00 77 S 7.62 4.16 0.00 3.83 3.71 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