NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4382 8.3049 120.3480 55.5025 33.3270 174.7504 2 L 4.1329 7.4564 123.1763 53.8788 44.1071 172.0681 3 S 3.4748 9.0086 118.9020 59.1100 63.9412 173.7705 4 V 3.5317 8.5858 126.0378 66.2793 31.9447 177.5677 5 A 4.1292 7.9773 119.6865 54.3366 18.1927 178.1956 6 A 4.3917 7.6656 116.2901 52.5289 19.2099 178.5120 7 R 4.1139 8.0905 118.0459 56.1372 30.3890 172.4687 8 S 3.6903 7.5394 118.8905 60.2173 60.7084 170.1636 9 G 4.4170 7.3369 123.7663 45.8563 0.0000 169.6045 10 P 4.5096 0.0000 0.0000 61.5287 32.7300 175.8636 11 F 4.8164 8.5948 117.9787 56.7944 40.2715 174.9571 12 A 4.8524 8.8054 124.9659 49.8422 21.1965 173.6880 13 P 5.3500 0.0000 0.0000 60.7068 34.1996 174.7524 14 V 4.4022 8.3568 122.7344 61.0687 33.9825 174.0602 15 L 4.9383 8.5731 129.4322 53.5922 43.8402 175.0811 16 S 4.7452 8.3817 117.5329 55.8785 65.6620 173.7426 17 A 4.1369 8.7255 126.4545 55.1412 18.0674 178.8818 18 T 4.5186 7.7840 101.9149 61.2523 70.4792 174.2372 19 S 4.8313 7.6635 117.6668 56.0135 66.0337 173.9084 20 R 4.0110 8.5216 120.1644 55.7807 29.7978 176.5837 21 G 3.9201 8.6255 107.6816 47.3375 0.0000 172.5246 22 V 4.7691 8.7133 122.9561 60.7745 35.1756 173.9802 23 A 5.6307 8.1242 126.7109 49.1463 21.8885 175.6518 24 G 4.3072 8.7956 108.1201 44.7978 0.0000 171.2565 25 A 4.4020 7.7669 123.0017 50.9006 21.9773 175.7749 26 L 4.6005 7.4948 116.5859 53.9943 42.3082 177.5758 27 R 3.8499 7.7045 113.8654 55.6758 30.0346 173.6031 28 P 4.8400 0.0000 0.0000 61.7169 33.2441 175.0619 29 L 4.6279 8.0085 117.6612 55.5099 45.8613 178.1622 30 V 3.5356 8.0258 118.6592 66.1989 31.5649 177.2596 31 Q 4.2218 7.9481 113.5652 56.8327 28.9848 176.4322 32 A 4.1402 7.8129 121.8868 54.9619 18.6471 178.8985 33 A 4.1229 7.8865 118.3597 54.9257 18.8127 180.0775 34 V 3.6081 7.2376 112.3791 64.9384 31.7588 174.5454 35 P 4.6727 0.0000 0.0000 60.9653 32.5458 174.7590 36 A 5.0025 8.4961 126.0474 51.1340 21.9640 175.3871 37 T 3.3090 8.2276 99.7931 63.0140 66.7106 171.5070 38 S 4.4856 7.6304 117.7543 57.7466 61.8770 173.2894 39 E 4.3275 8.2024 128.1301 55.0509 27.7005 175.4727 40 S 4.3638 7.9339 115.6481 56.8376 64.3420 173.1546 41 P 4.7039 0.0000 0.0000 61.5355 29.8393 173.4701 42 V 4.1830 7.6600 118.3424 61.4057 33.0373 175.2427 43 L 3.7360 8.5767 128.6685 55.9182 39.6642 176.1707 44 D 4.7440 7.6752 121.3236 54.0939 41.2695 177.6582 45 L 4.5210 8.2856 117.6376 55.2494 39.1487 174.8247 46 K 4.0244 8.3795 118.6230 57.3498 35.5495 175.1143 47 R 3.2328 8.2234 123.5688 57.0558 33.1903 174.2592 48 S 4.5847 8.1215 113.2144 58.1269 66.7916 174.6064 49 V 4.1701 8.2906 117.8576 60.5476 33.2155 174.6046 50 L 3.2194 8.4764 124.1861 55.7040 38.1505 174.1139 51 C 3.9917 8.1003 112.1789 61.0392 24.8582 173.1337 52 R 4.5163 8.0409 123.2741 54.4836 33.0545 175.9763 53 E 3.8277 8.6622 116.6564 57.3680 26.4253 177.0948 54 S 4.7098 7.3463 112.2552 56.5866 63.8595 173.6743 55 L 4.7705 7.5188 124.5742 53.4133 45.7163 176.8579 56 R 4.2029 8.4570 121.1906 55.4388 30.9911 177.1173 57 G 3.7769 8.4728 106.8190 46.1786 0.0000 173.5623 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 M 8.30 4.44 0.00 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 2 L 7.46 4.13 0.00 1.75 1.58 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.01 3.47 0.00 3.98 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 4 V 8.59 3.53 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 0.91 0.00 0.00 0.93 0.00 0.00 5 A 7.98 4.13 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.67 4.39 1.28 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 0.00 0.00 0.00 7 R 8.09 4.11 0.00 2.01 2.05 0.00 3.52 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 8 S 7.54 3.69 0.00 4.05 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 9 G 7.34 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.51 0.00 2.20 2.07 0.00 3.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 11 F 8.59 4.82 0.00 2.99 2.96 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 12 A 8.81 4.85 1.29 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 13 P 0.00 5.35 0.00 1.93 1.95 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 1.93 2.04 0.00 14 V 8.36 4.40 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 0.95 0.00 0.00 15 L 8.57 4.94 0.00 1.69 1.53 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.38 4.75 0.00 3.82 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 17 A 8.73 4.14 1.29 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 18 T 7.78 4.52 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 1.21 0.00 0.00 19 S 7.66 4.83 0.00 3.84 3.77 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 0.00 0.00 0.00 0.00 20 R 8.52 4.01 0.00 1.92 1.94 0.00 3.07 0.00 0.00 3.45 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 21 G 8.63 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 22 V 8.71 4.77 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 0.99 0.00 0.00 0.95 0.00 0.00 23 A 8.12 5.63 1.12 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 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.80 4.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.77 4.40 -0.10 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 0.00 0.00 26 L 7.49 4.60 0.00 1.53 1.67 0.86 0.83 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 27 R 7.70 3.85 0.00 1.90 1.98 0.00 2.99 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.42 0.00 28 P 0.00 4.84 0.00 2.19 2.06 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 29 L 8.01 4.63 0.00 1.70 1.62 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.03 3.54 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 0.96 0.00 0.00 0.93 0.00 0.00 31 Q 7.95 4.22 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 32 A 7.81 4.14 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 7.89 4.12 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.24 3.61 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 0.79 0.00 0.00 0.99 0.00 0.00 35 P 0.00 4.67 0.00 2.07 1.96 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 36 A 8.50 5.00 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 37 T 8.23 3.31 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 1.26 0.00 0.00 38 S 7.63 4.49 0.00 3.85 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 39 E 8.20 4.33 0.00 2.00 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 2.31 2.29 0.00 40 S 7.93 4.36 0.00 3.98 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 41 P 0.00 4.70 0.00 2.08 2.09 0.00 3.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.94 0.00 42 V 7.66 4.18 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 0.84 0.00 0.00 0.94 0.00 0.00 43 L 8.58 3.74 0.00 1.82 1.73 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.68 4.74 0.00 2.78 2.53 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 0.00 0.00 0.00 0.00 45 L 8.29 4.52 0.00 1.63 1.64 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.38 4.02 0.00 1.65 1.73 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.32 7.81 47 R 8.22 3.23 0.00 1.89 2.24 0.00 3.33 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 48 S 8.12 4.58 0.00 3.85 3.70 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 49 V 8.29 4.17 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 0.74 0.00 0.00 0.94 0.00 0.00 50 L 8.48 3.22 0.00 1.76 1.71 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.10 3.99 0.00 3.04 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 52 R 8.04 4.52 0.00 1.75 1.83 0.00 3.41 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 53 E 8.66 3.83 0.00 2.09 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 2.22 2.28 0.00 54 S 7.35 4.71 0.00 3.91 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 55 L 7.52 4.77 0.00 1.59 1.55 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.46 4.20 0.00 1.80 1.89 0.00 3.21 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 57 G 8.47 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 0.00 0.00 0.00