NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4683 8.1627 120.6051 55.9656 34.4175 173.2109 2 Q 4.8350 7.9002 119.9429 53.1471 32.7446 171.3469 3 I 4.4338 9.1916 118.6878 59.3993 42.4549 172.9107 4 F 5.5274 9.1054 119.6702 55.7844 42.7250 174.9515 5 V 5.0235 9.2542 121.3331 61.1523 35.0512 174.3849 6 K 5.1379 8.9655 123.7911 54.9400 36.1166 175.2358 7 T 4.8084 8.4365 119.7122 61.5446 70.6772 174.4184 8 L 4.0396 8.9019 125.6636 58.4171 41.8276 179.5648 9 T 3.8886 7.8275 103.4820 62.5230 68.4172 173.7699 10 G 4.1831 8.3638 115.7543 46.6694 0.0000 174.1045 11 K 4.2244 6.8307 124.7532 54.1362 30.8145 174.4663 12 T 5.1032 8.3786 124.5966 61.9864 69.8874 174.2905 13 I 4.6765 8.3949 120.2130 59.4631 40.8990 174.9584 14 T 5.1101 8.3087 113.3220 60.6507 71.5699 172.7129 15 L 4.6092 8.5416 121.7072 53.9551 46.0243 173.3757 16 E 4.9595 8.5890 123.7120 54.8065 31.4063 175.0836 17 V 4.6989 7.9049 117.9090 60.3675 36.6237 173.5802 18 E 4.6599 9.2999 121.1130 54.0033 31.7269 175.7820 19 P 4.1180 0.0000 0.0000 65.9844 31.5029 177.9670 20 S 4.7130 7.8279 110.2103 58.2122 63.1338 173.9653 21 D 4.4206 8.1932 122.9675 54.6175 41.2165 176.5155 22 T 4.7632 8.1805 113.7748 61.0944 71.4949 176.0476 23 I 3.7240 8.1108 121.8740 64.2258 37.1062 178.4889 24 E 3.9288 8.0107 120.5903 59.1517 29.0225 178.5529 25 N 4.4125 8.1203 116.8286 55.9741 38.6268 177.6434 26 V 3.6054 7.8616 119.8926 65.8318 31.5611 178.3022 27 K 4.2435 8.6830 119.7511 58.8062 31.8108 179.1995 28 A 4.0244 7.8357 120.7812 54.9549 18.3783 179.7787 29 K 4.0389 7.7364 116.6262 59.2131 32.0310 179.7899 30 I 3.7374 7.6241 120.4497 64.3658 37.0041 178.0420 31 Q 4.0528 8.3319 122.1365 58.6983 28.5581 178.2229 32 D 4.3287 7.8799 119.0858 57.2244 40.9484 178.5299 33 K 4.1939 7.7019 117.2336 58.6628 32.2718 178.3841 34 E 4.5569 9.0109 117.2362 54.9658 29.6813 176.7636 35 G 4.5389 7.7322 105.9009 46.9998 0.0000 173.0633 36 I 4.1359 7.2282 120.1106 59.0567 38.0661 173.9080 37 P 4.3622 0.0000 0.0000 62.4049 31.7029 175.7416 38 P 4.2257 0.0000 0.0000 65.4241 31.4324 177.6214 39 D 4.6165 8.0147 115.4911 55.3871 41.3447 176.5064 40 Q 4.6522 8.2964 118.0746 55.5241 30.1142 174.5530 41 Q 4.9451 7.7668 119.5487 54.1896 31.5793 174.9079 42 R 4.8390 9.4162 122.1155 54.4697 34.0724 174.0635 43 L 5.1557 8.5520 123.5721 53.0170 44.6436 175.3115 44 I 4.8168 8.6044 123.6758 59.5501 40.4060 174.2428 45 F 5.0337 9.7349 130.5827 56.0409 40.8065 175.3055 46 A 3.6965 9.0833 132.2105 53.2455 15.5522 177.0953 47 G 3.8866 8.1296 103.8776 45.7384 0.0000 172.7018 48 K 4.4599 7.5982 118.9473 53.9532 34.4523 175.1322 49 Q 4.5402 8.6956 125.9299 55.5657 29.3336 175.5067 50 L 3.6419 8.9029 128.2599 54.5295 42.8168 176.4466 51 E 4.3006 8.7502 124.5836 55.3665 30.3093 176.6295 52 D 4.4396 9.1572 127.7033 57.7292 41.3120 179.6927 53 G 3.5910 8.0876 106.6127 48.3137 0.0000 174.3321 54 R 4.2220 8.0069 118.4160 56.0681 31.0112 175.6621 55 T 5.0467 8.1194 109.7021 59.6030 71.2652 175.5367 56 L 3.9870 8.5844 122.6515 58.3219 42.1406 180.4968 57 S 4.0855 7.9751 113.4024 61.7543 62.9165 175.9354 58 D 4.2599 7.7663 118.9064 58.0770 40.5592 178.1572 59 Y 4.2004 7.9618 111.7826 57.7157 37.5021 175.4280 60 N 4.0674 7.8242 116.9570 54.4659 37.9401 174.9568 61 I 3.5456 8.0015 118.9063 59.9488 37.4094 176.1362 62 Q 4.4785 8.0297 124.8214 53.5322 30.8579 174.9861 63 K 3.9458 8.2924 116.5812 58.6857 32.5713 176.3040 64 E 3.4656 9.1417 119.4874 57.2606 27.8634 174.9013 65 S 4.7114 7.5383 115.2740 58.6297 64.5239 173.1456 66 T 5.3026 8.7041 118.2096 61.9353 70.9224 173.5753 67 L 5.0602 9.1075 125.9865 53.2989 45.3597 174.9602 68 H 5.1864 9.0519 120.2135 54.1040 30.9551 173.6746 69 L 4.7633 9.0549 126.7830 54.4256 42.8166 175.9063 70 V 4.4762 9.3396 127.1551 61.0374 34.5615 173.8836 71 L 5.5523 8.4923 127.0936 51.9318 43.0389 177.2665 72 R 4.5756 8.1639 128.3336 55.6841 28.7139 175.9769 73 L 4.3214 7.5993 123.5757 55.8887 40.6856 176.4615 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 8.16 4.47 0.00 2.28 1.92 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 2 Q 7.90 4.83 0.00 2.10 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.51 0.00 0.00 0.00 0.00 0.00 1.92 2.46 0.00 3 I 9.19 4.43 1.89 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 1.10 0.67 0.75 0.00 0.00 4 F 9.11 5.53 0.00 3.03 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 5 V 9.25 5.02 2.13 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 1.05 0.00 0.00 0.95 0.00 0.00 6 K 8.97 5.14 0.00 1.85 1.73 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.44 7.81 7 T 8.44 4.81 4.30 0.00 0.00 0.00 0.00 0.00 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 8 L 8.90 4.04 0.00 1.70 1.74 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.83 3.89 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 10 G 8.36 4.18 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 0.00 11 K 6.83 4.22 0.00 1.80 1.72 0.00 1.61 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.48 7.81 12 T 8.38 5.10 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 1.13 0.00 0.00 13 I 8.39 4.68 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.91 0.99 0.00 0.00 14 T 8.31 5.11 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 1.60 0.00 0.00 15 L 8.54 4.61 0.00 1.72 1.43 0.93 0.82 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 16 E 8.59 4.96 0.00 1.95 1.77 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 2.17 2.34 0.00 17 V 7.90 4.70 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 0.63 0.00 0.00 0.85 0.00 0.00 18 E 9.30 4.66 0.00 1.84 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 2.19 2.22 0.00 19 P 0.00 4.12 0.00 2.15 2.11 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.11 0.00 20 S 7.83 4.71 0.00 3.84 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 21 D 8.19 4.42 0.00 2.91 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.18 4.76 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 23 I 8.11 3.72 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.89 0.83 0.00 0.00 24 E 8.01 3.93 0.00 2.17 1.94 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 2.30 2.39 0.00 25 N 8.12 4.41 0.00 3.07 2.95 0.00 0.00 6.57 7.75 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 26 V 7.86 3.61 2.15 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 0.99 0.00 0.00 0.92 0.00 0.00 27 K 8.68 4.24 0.00 1.99 1.84 0.00 1.84 0.00 0.00 1.94 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.56 7.81 28 A 7.84 4.02 1.40 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 0.00 0.00 29 K 7.74 4.04 0.00 1.96 1.85 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.65 7.81 30 I 7.62 3.74 2.17 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 1.10 0.94 0.00 0.00 31 Q 8.33 4.05 0.00 2.24 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 32 D 7.88 4.33 0.00 2.92 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 33 K 7.70 4.19 0.00 1.77 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.68 7.81 34 E 9.01 4.56 0.00 1.99 1.96 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 2.25 2.45 0.00 35 G 7.73 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.23 4.14 1.87 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 1.30 1.32 0.91 0.00 0.00 37 P 0.00 4.36 0.00 2.17 1.99 0.00 3.60 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 38 P 0.00 4.23 0.00 2.17 2.10 0.00 3.58 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 39 D 8.01 4.62 0.00 2.66 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 40 Q 8.30 4.65 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 41 Q 7.77 4.95 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.51 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 42 R 9.42 4.84 0.00 1.70 1.77 0.00 3.25 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 43 L 8.55 5.16 0.00 1.51 1.51 0.88 0.78 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 44 I 8.60 4.82 1.93 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 1.13 0.81 1.00 0.00 0.00 45 F 9.73 5.03 0.00 2.97 2.94 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 46 A 9.08 3.70 0.61 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 0.00 0.00 47 G 8.13 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 0.00 0.00 0.00 48 K 7.60 4.46 0.00 2.04 1.81 0.00 1.86 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.34 7.81 49 Q 8.70 4.54 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 50 L 8.90 3.64 0.00 1.29 0.97 0.71 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.75 4.30 0.00 2.32 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 2.34 0.00 52 D 9.16 4.44 0.00 2.83 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 53 G 8.09 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.01 4.22 0.00 2.38 2.08 0.00 3.20 0.00 0.00 2.88 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.63 0.00 55 T 8.12 5.05 4.36 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 1.26 0.00 0.00 56 L 8.58 3.99 0.00 1.89 1.69 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.98 4.09 0.00 3.92 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 58 D 7.77 4.26 0.00 2.67 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.96 4.20 0.00 2.91 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 60 N 7.82 4.07 0.00 2.82 2.93 0.00 0.00 7.04 7.80 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 61 I 8.00 3.55 1.66 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.20 0.47 0.00 0.00 62 Q 8.03 4.48 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.91 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 63 K 8.29 3.95 0.00 1.81 1.83 0.00 1.68 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.46 7.81 64 E 9.14 3.47 0.00 2.13 2.22 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 2.34 2.20 0.00 65 S 7.54 4.71 0.00 3.65 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 66 T 8.70 5.30 4.32 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 1.28 0.00 0.00 67 L 9.11 5.06 0.00 1.54 1.55 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.05 5.19 0.00 3.07 3.20 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.05 4.76 0.00 1.61 1.79 0.96 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.34 4.48 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 0.93 0.00 0.00 0.94 0.00 0.00 71 L 8.49 5.55 0.00 1.56 1.58 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.16 4.58 0.00 1.81 1.88 0.00 3.20 0.00 0.00 3.28 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 73 L 7.60 4.32 0.00 1.74 1.60 0.92 0.62 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