NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 D 4.8557 8.2076 120.4829 54.4218 43.2969 173.1771 9 F 5.1620 7.8178 115.2451 54.9175 41.5231 168.6355 10 V 4.5265 9.0787 111.8297 59.5151 36.1236 176.2184 11 V 4.8326 8.6829 123.6695 61.3980 33.7163 174.5562 12 I 5.0029 8.9325 128.2977 59.3864 41.0602 174.0150 13 K 4.9396 9.2125 128.5573 54.2882 34.6163 174.8468 14 A 4.4274 8.8799 130.4336 52.1643 18.8414 177.7877 15 V 4.2286 8.7764 122.7976 63.2328 32.8934 175.0058 16 E 4.7573 7.8372 115.9766 54.3484 32.7974 174.3328 17 D 4.4498 8.5006 118.6906 54.9747 41.3836 176.5455 18 G 3.9239 8.5302 108.0340 46.3299 0.0000 174.2481 19 V 3.8281 7.3397 119.4477 63.1999 32.9137 174.4907 20 N 5.2704 9.4254 124.1043 51.4327 41.5454 173.6747 21 V 4.4747 8.7156 124.2602 61.4201 33.5960 174.1022 22 I 4.6565 8.7051 130.3079 59.3873 39.5297 175.0592 23 G 4.1401 8.6998 114.9528 44.9073 0.0000 172.3867 24 L 5.4832 8.7071 125.7243 52.9985 44.1524 176.2647 25 T 4.5700 8.6083 114.1939 61.8609 69.3605 174.1357 26 R 4.4673 7.8806 126.0210 56.3174 30.9909 175.3044 27 G 3.8413 8.8202 110.6556 44.1448 0.0000 173.0708 28 T 3.9736 8.5360 109.1329 64.3455 68.8945 174.3965 29 D 4.7043 7.8131 120.1028 53.2041 42.1605 175.9859 30 T 4.7330 8.3147 118.6456 61.8125 70.8708 173.1397 31 K 4.6832 8.9038 125.1071 54.7899 37.0513 175.4363 32 F 5.2466 8.6229 120.0615 57.9430 38.6911 175.4393 33 H 4.7653 8.9843 119.6783 56.7207 29.7850 174.7267 34 H 4.6791 7.4902 117.9403 55.1009 33.2191 172.1886 35 S 4.7615 8.3784 120.0228 56.4112 64.2963 172.5714 36 E 4.4145 9.1540 130.5997 54.9767 30.5529 175.4252 37 K 4.6754 8.6137 126.9617 56.5692 34.1360 176.1940 38 L 4.8568 8.8124 123.2753 53.1258 44.5827 176.0580 39 D 4.8108 9.7619 124.5078 52.7907 42.8139 176.0719 40 K 3.8618 8.7624 121.8022 58.6002 32.3431 177.2525 41 G 4.0174 9.0380 115.0095 45.4238 0.0000 173.5480 42 E 4.3201 8.0103 119.3473 56.1719 30.9965 175.9804 43 V 4.8391 8.1900 120.9278 61.1525 34.4818 174.3663 44 I 4.5172 8.8433 127.7155 59.1968 41.1377 174.0805 45 I 4.8825 8.4149 129.2209 59.7774 38.5043 174.6119 46 A 4.7386 8.8285 129.2908 50.0758 21.8265 175.2368 47 Q 4.8783 8.5178 120.2658 54.6618 30.7776 175.6075 48 F 4.6525 8.4484 120.4152 57.9462 38.6402 175.3631 49 T 4.6898 8.9462 111.0219 60.5551 71.7150 174.0635 50 E 4.2175 8.9298 119.8035 59.5554 29.6315 177.9537 51 H 4.5965 7.8112 114.1320 55.9863 30.0989 174.5078 52 T 5.0925 8.1808 117.1432 61.9052 70.1724 174.1097 53 S 5.0933 8.9356 119.5100 57.9398 64.8632 173.3504 54 A 5.1839 7.9418 121.3522 51.1748 22.6473 175.2366 55 I 4.9804 8.5251 120.2116 59.4039 41.0069 174.6443 56 K 4.6072 8.9779 128.0673 54.4590 34.8521 174.6805 57 V 4.8806 8.3689 126.2332 61.0710 34.2946 174.4832 58 R 4.4506 9.1325 127.2930 55.2075 33.1874 173.6846 59 G 3.9589 8.9697 111.2659 43.5761 0.0000 172.0885 60 E 4.6076 9.0763 120.0452 55.6659 30.7373 174.9962 61 A 4.9102 8.7273 126.7253 51.1085 23.6171 174.2234 62 L 4.9277 8.8339 122.4424 53.4734 44.5265 175.2975 63 I 5.0851 8.9328 126.7303 59.5921 40.4748 174.3634 64 Q 5.2023 9.0549 125.6650 54.4555 32.1208 174.9611 65 T 4.8981 8.5705 112.5260 59.8569 72.3971 174.3313 66 A 3.7766 8.2794 123.0154 54.8562 18.2296 177.9131 67 Y 4.7983 7.1640 112.0672 57.8411 38.6864 174.4822 68 G 3.8559 7.3176 106.4871 44.0999 0.0000 172.8459 69 E 5.2904 8.5521 118.2626 55.1179 32.2851 175.4435 70 M 4.8601 8.8918 120.9722 53.9444 36.3807 173.3257 71 K 5.1157 8.6653 125.9881 54.6182 34.7417 175.2889 72 S 4.7246 8.7944 122.2280 57.5774 65.1148 173.1455 73 E 4.7545 8.5613 120.6188 55.2888 32.5019 176.0132 74 K 4.1542 8.5103 120.7318 57.0780 33.1021 175.5438 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 8 D 8.21 4.86 0.00 2.86 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 9 F 7.82 5.16 0.00 3.12 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 10 V 9.08 4.53 2.06 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 0.62 0.00 0.00 0.84 0.00 0.00 11 V 8.68 4.83 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.14 0.00 0.00 12 I 8.93 5.00 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.89 0.00 0.00 13 K 9.21 4.94 0.00 1.75 1.64 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.35 7.81 14 A 8.88 4.43 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.78 4.23 2.20 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 0.91 0.00 0.00 0.93 0.00 0.00 16 E 7.84 4.76 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 17 D 8.50 4.45 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 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 19 V 7.34 3.83 2.19 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 0.99 0.00 0.00 1.01 0.00 0.00 20 N 9.43 5.27 0.00 2.62 2.59 0.00 0.00 6.43 7.61 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 21 V 8.72 4.47 2.03 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 0.79 0.00 0.00 0.89 0.00 0.00 22 I 8.71 4.66 1.49 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.37 -0.16 0.00 0.00 23 G 8.70 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.71 5.48 0.00 1.90 1.71 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.61 4.57 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 1.40 0.00 0.00 26 R 7.88 4.47 0.00 1.92 1.97 0.00 3.24 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 27 G 8.82 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 28 T 8.54 3.97 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 29 D 7.81 4.70 0.00 2.70 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 30 T 8.31 4.73 4.27 0.00 0.00 0.00 0.00 0.00 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 31 K 8.90 4.68 0.00 1.75 1.83 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.47 7.81 32 F 8.62 5.25 0.00 2.90 2.85 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 33 H 8.98 4.77 0.00 3.27 3.51 0.00 5.79 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 34 H 7.49 4.68 0.00 3.29 3.09 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.38 4.76 0.00 3.77 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 36 E 9.15 4.41 0.00 2.15 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 2.28 2.29 0.00 37 K 8.61 4.68 0.00 1.78 1.77 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.45 7.81 38 L 8.81 4.86 0.00 1.54 1.57 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.76 4.81 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 3.86 0.00 1.82 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 41 G 9.04 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 42 E 8.01 4.32 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 43 V 8.19 4.84 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 0.77 0.00 0.00 0.92 0.00 0.00 44 I 8.84 4.52 1.85 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 1.19 1.54 0.88 0.00 0.00 45 I 8.41 4.88 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.60 0.57 0.00 0.00 46 A 8.83 4.74 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 47 Q 8.52 4.88 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.94 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 48 F 8.45 4.65 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 4.69 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 1.28 0.00 0.00 50 E 8.93 4.22 0.00 1.83 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 2.30 2.40 0.00 51 H 7.81 4.60 0.00 3.31 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.18 5.09 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 1.32 0.00 0.00 53 S 8.94 5.09 0.00 3.88 4.08 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 0.00 0.00 0.00 54 A 7.94 5.18 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 55 I 8.53 4.98 1.82 0.00 0.00 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.62 0.87 0.00 0.00 56 K 8.98 4.61 0.00 1.73 1.39 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.33 7.81 57 V 8.37 4.88 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 9.13 4.45 0.00 1.86 1.66 0.00 3.12 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 59 G 8.97 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 0.00 0.00 0.00 60 E 9.08 4.61 0.00 2.08 1.85 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 2.35 2.42 0.00 61 A 8.73 4.91 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 62 L 8.83 4.93 0.00 1.75 1.52 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.93 5.09 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 1.22 0.67 0.91 0.00 0.00 64 Q 9.05 5.20 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 65 T 8.57 4.90 4.00 0.00 0.00 0.00 0.00 0.00 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 66 A 8.28 3.78 0.75 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 0.00 0.00 67 Y 7.16 4.80 0.00 3.04 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 68 G 7.32 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.55 5.29 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.27 0.00 70 M 8.89 4.86 0.00 2.11 1.85 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 71 K 8.67 5.12 0.00 1.77 1.65 0.00 1.82 0.00 0.00 1.88 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.42 7.81 72 S 8.79 4.72 0.00 3.95 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 73 E 8.56 4.75 0.00 1.85 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 2.22 2.22 0.00 74 K 8.51 4.15 0.00 1.89 1.82 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.42 7.81