NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4880 0.0000 0.0000 62.4103 33.6204 175.1115 2 I 4.7309 8.2393 122.8967 59.2735 40.4093 172.8114 3 A 4.7528 9.1707 130.0356 49.9979 22.0677 174.5639 4 Q 4.8437 8.7004 122.9733 54.4533 31.3120 174.4207 5 I 4.4609 8.6552 128.1742 59.9541 39.6749 174.4327 6 H 5.2444 8.8163 124.2945 54.2099 30.0489 174.2485 7 I 4.6141 8.4871 116.8207 58.5501 41.1427 174.9776 8 L 4.6310 8.3352 123.6755 54.3415 41.9887 176.8884 9 E 4.0004 9.1599 121.5938 57.2009 30.1410 176.5138 10 G 3.4097 8.7639 112.7373 45.6890 0.0000 174.4093 11 R 4.3352 7.5377 119.6541 55.5649 31.1707 176.5816 12 S 4.5673 8.4351 115.2909 57.6137 65.5948 175.1780 13 D 4.3480 8.4380 121.5516 57.6066 40.5546 178.9172 14 E 3.9621 8.1189 118.6146 59.4671 29.4986 179.2687 15 Q 4.0192 7.9209 118.0157 58.8789 28.7915 178.8243 16 K 4.0900 8.1261 119.4013 58.9227 32.0450 179.0652 17 E 3.9891 8.3696 120.1711 59.2866 29.5192 179.0356 18 T 3.8569 8.0102 115.9905 66.3554 68.5349 176.3342 19 L 3.9169 7.8553 122.2726 58.4712 41.9694 179.1322 20 I 3.6892 7.7863 119.5233 64.2124 36.9514 178.5545 21 R 3.8961 7.7343 119.2472 59.4090 30.0340 178.1421 22 E 3.8932 8.5480 118.7013 59.7056 29.5466 179.6310 23 V 3.6105 7.9392 117.9802 66.1999 31.6358 178.2681 24 S 4.1548 7.8710 115.0940 61.5072 62.5514 176.5250 25 E 3.9845 8.2789 121.1977 59.1669 29.2499 178.9533 26 A 4.0009 8.1129 120.8725 55.3206 18.3769 179.8732 27 I 3.6447 7.7633 118.1529 64.3990 37.2264 178.3753 28 S 4.1609 7.9004 113.9565 61.6441 62.3388 176.5655 29 R 4.0256 8.3655 118.9112 59.2545 29.1216 178.8627 30 S 4.2903 8.0398 115.2094 60.3308 62.8928 175.4437 31 L 4.5591 7.6482 118.4431 53.0915 42.4335 175.5807 32 D 4.3339 7.4725 115.7280 55.0828 40.2429 172.8868 33 A 4.7052 7.6596 118.8419 48.9780 21.0549 176.1319 34 P 4.3178 0.0000 0.0000 62.4695 32.1548 176.9414 35 L 3.9217 8.9135 125.1668 58.4176 41.9664 178.9970 36 T 3.9578 7.9257 107.0522 63.9189 68.6373 174.8403 37 S 4.3910 8.0559 116.1888 59.4214 63.8319 174.7207 38 V 4.0078 7.5378 122.0742 62.9123 32.0727 175.5320 39 R 4.6718 8.7665 125.8092 54.3932 33.3628 174.4850 40 V 4.8599 8.5275 123.2656 61.0993 34.5651 174.6232 41 I 4.6209 8.6632 126.6401 59.6609 40.7472 174.1785 42 I 4.7448 8.4401 127.5248 59.9345 39.2509 175.2437 43 T 4.5063 8.6841 122.8738 61.7902 71.3852 173.1897 44 E 4.8209 8.8294 126.1576 56.0420 31.1025 175.8604 45 M 4.8742 8.9107 122.1831 53.2220 35.4087 175.2602 46 A 4.6987 8.4510 124.4546 51.0489 19.3974 178.5909 47 K 3.2595 9.2707 121.3452 59.2756 32.3784 178.6814 48 G 4.1281 8.0068 104.9611 45.7819 0.0000 173.4742 49 H 4.9441 9.0645 116.2803 55.0314 29.5229 173.5997 50 F 5.1025 8.1674 122.5996 56.3122 41.4415 173.6271 51 G 4.1504 8.4019 116.6777 43.6099 0.0000 172.6216 52 I 4.0105 8.0848 123.6207 60.0951 39.3676 176.0648 53 G 3.8846 9.2383 113.0626 45.9797 0.0000 173.4881 54 G 3.9654 8.3407 108.4594 44.8002 0.0000 174.0052 55 E 4.5274 7.6047 118.9828 54.4699 31.1825 175.8503 56 L 4.4483 8.1346 121.2449 54.4733 42.4842 178.2772 57 A 4.0462 8.8162 125.8445 55.3313 18.5519 179.6385 58 S 4.2886 7.9355 110.1122 60.1374 63.3111 174.5023 59 K 4.1736 7.6688 124.4181 56.6995 32.3323 175.6160 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 P 0.00 4.49 0.00 2.09 2.03 0.00 3.50 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 2 I 8.24 4.73 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 1.27 0.71 0.91 0.00 0.00 3 A 9.17 4.75 1.21 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 0.00 0.00 4 Q 8.70 4.84 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.65 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 5 I 8.66 4.46 1.83 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 1.21 0.61 0.88 0.00 0.00 6 H 8.82 5.24 0.00 2.91 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.49 4.61 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.12 0.86 0.00 0.00 8 L 8.34 4.63 0.00 1.51 1.62 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.16 4.00 0.00 2.00 2.17 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 2.28 2.27 0.00 10 G 8.76 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.54 4.34 0.00 1.80 1.97 0.00 3.35 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 12 S 8.44 4.57 0.00 4.22 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 13 D 8.44 4.35 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.96 0.00 2.05 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 2.39 2.46 0.00 15 Q 7.92 4.02 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.13 4.09 0.00 1.81 1.83 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.66 7.81 17 E 8.37 3.99 0.00 2.15 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 0.00 2.30 2.34 0.00 18 T 8.01 3.86 4.46 0.00 0.00 0.00 0.00 0.00 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 19 L 7.86 3.92 0.00 1.85 1.84 0.91 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.79 3.69 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.90 0.00 0.00 21 R 7.73 3.90 0.00 1.84 2.07 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.55 3.89 0.00 1.96 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 2.49 2.47 0.00 23 V 7.94 3.61 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 1.02 0.00 0.00 0.96 0.00 0.00 24 S 7.87 4.15 0.00 4.13 3.89 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 25 E 8.28 3.98 0.00 2.17 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 2.32 2.32 0.00 26 A 8.11 4.00 1.38 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 0.00 0.00 27 I 7.76 3.64 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 1.41 0.69 0.91 0.00 0.00 28 S 7.90 4.16 0.00 4.03 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 29 R 8.37 4.03 0.00 2.05 2.30 0.00 2.83 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 30 S 8.04 4.29 0.00 4.06 3.97 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 31 L 7.65 4.56 0.00 1.60 1.66 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.47 4.33 0.00 2.84 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 33 A 7.66 4.71 1.24 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 0.00 0.00 0.00 34 P 0.00 4.32 0.00 2.23 2.21 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 35 L 8.91 3.92 0.00 1.74 1.73 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.93 3.96 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 37 S 8.06 4.39 0.00 3.96 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 38 V 7.54 4.01 2.17 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 0.75 0.00 0.00 0.93 0.00 0.00 39 R 8.77 4.67 0.00 1.75 1.76 0.00 3.28 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 40 V 8.53 4.86 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.66 4.62 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.64 0.87 0.00 0.00 42 I 8.44 4.74 1.84 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 1.31 0.52 0.87 0.00 0.00 43 T 8.68 4.51 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 1.17 0.00 0.00 44 E 8.83 4.82 0.00 1.83 1.84 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 2.25 2.30 0.00 45 M 8.91 4.87 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 46 A 8.45 4.70 1.07 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 0.00 0.00 47 K 9.27 3.26 0.00 1.82 1.95 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.66 1.56 7.81 48 G 8.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.06 4.94 0.00 3.34 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.17 5.10 0.00 2.96 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 51 G 8.40 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 52 I 8.08 4.01 1.68 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.59 0.82 0.00 0.00 53 G 9.24 3.88 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 0.00 0.00 0.00 54 G 8.34 3.97 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 0.00 0.00 0.00 55 E 7.60 4.53 0.00 1.93 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 2.38 0.00 56 L 8.13 4.45 0.00 1.75 1.59 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.82 4.05 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.29 0.00 3.96 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 59 K 7.67 4.17 0.00 1.80 1.79 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.33 7.81