NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5019 8.1633 118.3313 55.4566 33.6313 173.4181 2 Q 4.9612 8.2921 117.1015 54.0650 31.6409 173.6767 3 L 4.7710 9.4752 122.6112 53.1655 46.1043 175.2012 4 F 6.0678 8.5242 122.4697 56.0610 40.9921 175.1400 5 V 4.8638 8.3913 121.4741 61.0431 35.3559 174.0051 6 K 5.8110 9.2125 124.8383 54.5135 36.4412 175.6483 7 T 5.3693 7.9612 110.8693 60.2574 70.6480 175.0995 8 L 4.5055 8.5801 126.2067 55.5264 41.5634 177.0367 9 T 4.3670 7.7128 107.8147 60.7895 69.9316 175.1852 10 G 3.8344 7.8624 109.0393 45.3286 0.0000 172.9793 11 K 4.2110 7.6389 121.5850 56.0892 33.3153 175.7453 12 T 4.9562 8.4464 124.2786 62.5140 69.8138 174.1684 13 L 4.8301 9.0978 125.9761 53.2801 45.4632 175.7544 14 T 5.1801 8.3462 116.3453 62.2775 71.5277 173.7947 15 V 4.5639 8.7045 119.3196 59.4498 36.0489 174.9545 16 E 5.1277 8.7431 121.9608 54.8665 30.6555 175.2438 17 L 4.8214 8.4724 126.0784 53.2955 45.7302 175.6404 18 E 4.6755 9.2786 124.3782 54.4266 31.3988 175.8154 19 P 4.4005 0.0000 0.0000 64.9763 31.6230 178.4413 20 S 4.2495 7.9019 113.1407 60.4037 63.9421 174.5062 21 D 4.5247 7.8416 120.8692 54.6289 41.3792 175.4164 22 T 4.9896 8.5010 110.7867 59.6215 71.5003 175.5622 23 V 3.5471 8.9416 122.6726 66.4819 31.3559 177.6586 24 E 4.3352 7.5519 119.6920 58.8343 29.4183 178.6198 25 N 4.2618 8.1573 115.9603 56.2690 38.7714 176.7612 26 L 3.8995 7.9994 121.0792 58.4358 42.0925 178.8857 27 K 4.5393 8.4794 119.2210 58.9197 31.9246 178.8534 28 A 4.0022 7.8485 120.7280 55.3688 18.3493 179.8258 29 K 4.2053 7.8110 117.8919 59.2320 32.1207 179.6674 30 I 3.8113 7.6985 119.4750 63.7902 36.9468 177.8797 31 Q 4.1551 7.9389 120.5671 58.0593 29.0103 176.7183 32 D 4.6011 8.3328 119.1553 54.5701 39.5639 176.7883 33 K 4.3756 7.7088 116.5543 57.8790 34.3664 177.1881 34 E 4.1634 8.1064 117.3023 56.4466 30.2908 176.4715 35 G 4.2556 8.0308 106.2759 47.7799 0.0000 173.5594 36 I 4.4654 7.5019 118.5918 58.1028 39.8374 174.5976 37 P 4.3988 0.0000 0.0000 62.1271 32.3236 175.5316 38 P 4.1905 0.0000 0.0000 65.9915 31.3047 178.0247 39 D 4.5619 8.0664 113.6532 55.7879 41.2067 175.8914 40 Q 4.6292 7.8712 116.0993 56.3601 29.9202 175.1005 41 Q 4.4996 8.1704 119.4365 54.0909 32.2309 174.4764 42 R 4.2581 8.7874 125.6814 54.7131 31.6198 175.0915 43 L 4.7122 8.3665 127.9866 54.0898 42.4591 175.7202 44 I 4.4390 8.2761 126.9113 59.5286 36.7129 173.5249 45 F 4.5555 9.0037 127.8444 57.8884 40.4236 175.2941 46 A 3.2833 9.3652 127.2186 52.6564 16.0811 177.4772 47 G 4.0244 8.1968 105.6525 45.8268 0.0000 174.5362 48 K 4.3699 7.9591 119.7970 55.1519 33.3332 175.1688 49 Q 4.8785 8.4041 124.5443 55.0219 29.8987 175.2618 50 L 3.8666 8.6224 127.5661 54.8065 42.6735 176.2420 51 E 4.5852 9.3989 123.1170 54.6618 31.8508 175.0984 52 D 4.2449 8.8618 124.0726 58.4456 40.3596 175.4780 53 G 3.4483 8.3200 116.1012 44.9887 0.0000 172.4704 54 R 4.5803 7.9457 121.1669 54.6953 32.1033 175.6181 55 T 5.4110 8.4147 110.2300 59.7687 70.5516 175.8662 56 L 3.7318 8.6895 123.6505 58.3544 41.7536 179.3523 57 S 4.3195 8.0957 111.1494 60.1808 62.3884 174.1963 58 D 4.5216 8.8188 119.5162 55.5540 40.3440 175.5430 59 Y 4.5546 7.7160 114.5956 56.0310 40.9134 175.5380 60 N 5.4722 7.6704 134.9845 54.0317 39.3938 175.2967 61 L 4.1006 7.9178 119.6149 55.4174 42.3041 177.2066 62 Q 4.4086 7.9362 123.2221 53.4961 30.7766 175.1352 63 K 3.7654 8.3431 120.1128 57.7287 32.2428 175.4348 64 E 2.9357 8.6171 128.2783 56.5556 26.5287 173.3692 65 S 4.8063 7.0249 118.0130 56.7334 67.0755 172.4930 66 T 5.3211 8.3568 115.5851 61.2424 71.5990 174.1051 67 I 4.8763 8.2702 125.0994 59.9456 42.1205 173.9823 68 H 4.7686 9.0005 123.3762 54.9380 30.2972 174.1964 69 L 4.9978 9.2858 127.9964 53.9340 43.0485 175.3528 70 V 4.7133 8.3789 120.3234 58.9893 34.5425 175.6148 71 L 4.5576 8.4676 126.1162 54.7319 43.0006 176.3636 72 R 3.9174 8.6545 125.0249 57.1442 30.3526 175.6148 73 L 4.5031 8.5136 126.3816 53.2129 43.0865 176.5106 74 R 3.8041 8.3046 121.6080 56.9043 30.3671 173.9720 75 G 3.8067 8.6407 111.0711 43.2618 0.0000 174.3672 76 G 3.6421 7.8209 114.7442 45.3048 0.0000 171.8485 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 4.50 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.62 0.00 2 Q 8.29 4.96 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.54 2.77 0.00 3 L 9.48 4.77 0.00 1.50 1.40 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 4 F 8.52 6.07 0.00 3.14 2.84 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 5 V 8.39 4.86 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 1.18 0.00 0.00 0.95 0.00 0.00 6 K 9.21 5.81 0.00 1.81 1.84 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.11 7.81 7 T 7.96 5.37 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 8 L 8.58 4.51 0.00 1.65 1.72 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.71 4.37 4.23 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 1.21 0.00 0.00 10 G 7.86 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 11 K 7.64 4.21 0.00 1.87 1.68 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.40 7.81 12 T 8.45 4.96 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 13 L 9.10 4.83 0.00 1.71 1.55 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.35 5.18 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 1.33 0.00 0.00 15 V 8.70 4.56 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 0.84 0.00 0.00 0.99 0.00 0.00 16 E 8.74 5.13 0.00 1.83 1.89 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 2.23 2.22 0.00 17 L 8.47 4.82 0.00 1.57 1.44 0.92 1.02 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 18 E 9.28 4.68 0.00 2.03 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 2.27 2.39 0.00 19 P 0.00 4.40 0.00 2.21 2.30 0.00 3.67 0.00 0.00 3.80 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 20 S 7.90 4.25 0.00 4.00 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 21 D 7.84 4.52 0.00 2.94 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.99 4.34 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 1.22 0.00 0.00 23 V 8.94 3.55 2.29 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 1.09 0.00 0.00 1.09 0.00 0.00 24 E 7.55 4.34 0.00 1.91 1.97 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 2.32 2.25 0.00 25 N 8.16 4.26 0.00 3.03 2.86 0.00 0.00 6.70 6.29 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 26 L 8.00 3.90 0.00 1.73 1.91 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.48 4.54 0.00 1.93 1.92 0.00 2.15 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.62 7.81 28 A 7.85 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 29 K 7.81 4.21 0.00 1.91 1.87 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.77 1.48 7.81 30 I 7.70 3.81 1.99 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 0.89 0.91 0.00 0.00 31 Q 7.94 4.16 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 32 D 8.33 4.60 0.00 2.90 3.06 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 33 K 7.71 4.38 0.00 1.92 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.36 1.36 7.81 34 E 8.11 4.16 0.00 2.13 2.00 0.00 0.00 0.00 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 2.24 0.00 35 G 8.03 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.50 4.47 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 0.84 0.91 0.00 0.00 37 P 0.00 4.40 0.00 2.17 1.98 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 38 P 0.00 4.19 0.00 2.18 2.10 0.00 3.60 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 2.12 2.08 0.00 39 D 8.07 4.56 0.00 2.64 2.68 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 0.00 0.00 0.00 0.00 40 Q 7.87 4.63 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.38 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 Q 8.17 4.50 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.88 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 42 R 8.79 4.26 0.00 2.07 1.82 0.00 3.09 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 43 L 8.37 4.71 0.00 1.58 1.57 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.28 4.44 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 1.11 0.57 0.92 0.00 0.00 45 F 9.00 4.56 0.00 2.97 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 9.37 3.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.20 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 48 K 7.96 4.37 0.00 1.85 1.79 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.34 7.81 49 Q 8.40 4.88 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.95 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 50 L 8.62 3.87 0.00 1.44 1.42 0.78 -0.08 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 9.40 4.59 0.00 2.10 1.93 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 2.34 2.38 0.00 52 D 8.86 4.24 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.58 0.00 2.08 1.78 0.00 3.23 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.63 0.00 55 T 8.41 5.41 4.56 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 1.29 0.00 0.00 56 L 8.69 3.73 0.00 1.73 1.78 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.10 4.32 0.00 3.87 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 58 D 8.82 4.52 0.00 2.69 2.46 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 0.00 59 Y 7.72 4.55 0.00 3.19 2.89 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 60 N 7.67 5.47 0.00 3.05 3.05 0.00 0.00 6.04 7.77 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 61 L 7.92 4.10 0.00 1.61 1.50 0.25 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.94 4.41 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 63 K 8.34 3.77 0.00 1.67 1.68 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.43 7.81 64 E 8.62 2.94 0.00 1.80 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 2.08 2.11 0.00 65 S 7.02 4.81 0.00 3.36 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 5.32 4.41 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 1.36 0.00 0.00 67 I 8.27 4.88 1.84 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.43 0.93 0.00 0.00 68 H 9.00 4.77 0.00 3.10 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.29 5.00 0.00 1.68 1.77 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.38 4.71 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 1.00 0.00 0.00 71 L 8.47 4.56 0.00 1.66 1.57 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.65 3.92 0.00 1.86 1.87 0.00 3.28 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 73 L 8.51 4.50 0.00 1.67 1.57 0.92 1.05 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 74 R 8.30 3.80 0.00 1.78 1.90 0.00 3.24 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 75 G 8.64 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 0.00 0.00 0.00 76 G 7.82 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00