NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4343 8.3049 120.3532 54.8859 34.4675 176.0603 2 P 4.1856 0.0000 0.0000 62.3848 32.8321 174.1808 3 K 4.6458 9.4305 123.9444 55.3660 34.5747 174.5989 4 H 5.3323 9.3546 123.2510 54.3725 31.6704 174.2661 5 E 5.2061 8.5444 119.6125 54.7564 33.2117 175.0199 6 F 5.3081 9.6377 122.1169 55.7634 43.7770 173.5963 7 S 5.1878 9.3356 116.7468 56.8693 64.2072 173.0681 8 V 4.7935 8.5935 126.9746 60.4628 33.7271 176.1956 9 D 4.8078 8.2260 130.9997 53.2218 36.5355 176.5004 10 M 4.3035 7.7621 119.7810 56.1804 33.2456 176.9124 11 T 4.5978 8.1894 110.9128 61.0100 70.1574 172.6613 12 C 4.6559 7.5670 115.8129 56.2562 32.2092 174.8584 13 G 3.7857 8.7340 106.9581 47.9763 0.0000 176.0616 14 G 3.6560 8.0711 107.3941 47.5134 0.0000 175.4279 15 C 4.1462 7.9685 118.5003 62.6655 28.1382 176.0672 16 A 4.0154 7.9364 121.8420 55.1336 17.5502 179.3388 17 E 3.9141 8.4551 117.0279 59.5255 29.5492 179.4556 18 A 3.9851 8.0730 120.8031 55.0829 18.5341 179.8452 19 V 3.4156 7.7164 116.7319 66.0535 31.4926 178.1328 20 S 3.8020 8.0609 112.8884 61.4597 62.2408 176.4017 21 R 3.9013 8.1044 120.8632 59.4290 29.7936 179.5506 22 V 3.6378 7.7027 112.1512 64.1765 31.4680 178.7096 23 L 3.8728 7.6097 118.6732 57.6179 41.1369 179.1464 24 N 4.4272 8.1294 115.9482 56.1880 38.5490 177.0589 25 K 4.0752 7.8376 120.0919 59.2109 32.3635 178.3251 26 L 4.0394 7.5712 119.7628 57.1070 42.3132 178.1079 27 G 3.9098 7.9134 103.3750 45.3042 0.0000 172.3765 28 G 4.0577 8.6117 103.7539 46.5051 0.0000 173.7868 29 V 4.8539 7.7671 109.5866 59.2288 36.4515 175.8613 30 K 4.6308 9.0299 121.9679 54.9926 34.9122 174.9516 31 Y 5.4811 8.1126 122.2530 55.1146 41.6723 174.4035 32 D 4.8344 9.3456 119.0361 52.7122 44.9089 173.8672 33 I 4.8329 8.6692 126.1380 59.8264 39.7670 175.0213 34 D 4.6629 9.2297 128.7899 52.2107 41.1361 176.3755 35 L 3.9396 8.6048 126.6362 57.4422 42.4430 177.4810 36 P 4.2568 0.0000 0.0000 65.3589 31.2813 176.8743 37 N 4.7174 7.9828 111.0757 51.9730 39.0167 174.9055 38 K 3.9106 7.8336 117.6133 57.6329 30.6420 174.2226 39 K 5.1471 8.0282 117.8998 54.6119 36.1103 175.1327 40 V 4.9709 9.1533 126.2640 61.4843 34.6370 173.6455 41 C 5.3801 9.3457 126.1237 58.3235 30.7210 172.9772 42 I 5.1094 9.1605 123.7440 59.6787 41.0679 173.6958 43 E 5.0944 9.3873 128.9777 55.0117 31.0264 174.5379 44 S 4.8637 8.5486 119.6579 58.0400 65.6397 174.7621 45 E 4.3463 8.8920 122.2116 57.5190 30.0019 177.0593 46 H 4.3398 8.0740 117.1297 55.3710 29.5096 176.1453 47 S 4.3286 8.5458 118.1857 58.6213 64.7642 175.1107 48 M 3.9028 8.5766 122.1752 58.9154 31.8532 178.2287 49 D 4.3152 8.0030 118.4809 57.7893 40.9860 178.8682 50 T 3.8344 7.8409 116.0208 66.5142 68.4007 176.8493 51 L 3.8109 7.9240 120.9141 57.5396 41.6271 179.3222 52 L 3.6395 8.2290 120.3673 58.0442 41.8512 178.8515 53 A 3.9368 7.7600 119.2842 55.4264 18.7052 179.4074 54 T 3.8686 8.0606 114.4961 66.8337 68.6442 176.9097 55 L 3.8672 7.7968 120.8459 57.6350 41.5911 179.6574 56 K 4.0901 8.1413 117.9335 58.6900 31.6901 179.3109 57 K 4.0769 7.5877 118.2490 59.0673 31.9394 178.8811 58 T 4.0050 7.5431 109.3722 62.9761 68.7587 175.5665 59 G 3.9034 7.9577 109.2545 44.9863 0.0000 173.5347 60 K 4.3397 7.4014 118.6473 55.5384 33.5913 176.3750 61 T 4.2812 8.9435 118.4215 63.3900 69.4104 174.1825 62 V 5.0162 8.4206 125.8612 61.2272 34.5540 174.2177 63 S 4.8962 9.2628 120.8485 56.9003 66.7878 171.3548 64 Y 4.9019 8.6283 123.9442 56.2275 39.4689 175.0470 65 L 4.1242 8.5365 126.2257 54.4041 42.8297 177.2938 66 G 2.9866 5.6442 106.5812 43.8144 0.0000 172.6888 67 L 4.4898 7.6685 117.7858 53.8867 42.3143 177.1368 68 E 4.0310 8.6757 121.7702 56.7493 29.4404 176.6982 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 4.43 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.64 0.00 2 P 0.00 4.19 0.00 2.23 1.93 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 3 K 9.43 4.65 0.00 1.66 1.74 0.00 1.65 0.00 0.00 1.98 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.61 7.81 4 H 9.35 5.33 0.00 3.44 3.32 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.54 5.21 0.00 1.74 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 6 F 9.64 5.31 0.00 2.98 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 7 S 9.34 5.19 0.00 3.89 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 8 V 8.59 4.79 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 0.85 0.00 0.00 0.96 0.00 0.00 9 D 8.23 4.81 0.00 2.77 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 M 7.76 4.30 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 11 T 8.19 4.60 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 1.22 0.00 0.00 12 C 7.57 4.66 0.00 3.08 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 13 G 8.73 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.07 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.97 4.15 0.00 3.26 2.99 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 16 A 7.94 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.46 3.91 0.00 2.18 2.02 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 2.35 2.58 0.00 18 A 8.07 3.99 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 19 V 7.72 3.42 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 0.84 0.00 0.00 0.95 0.00 0.00 20 S 8.06 3.80 0.00 4.02 4.10 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 21 R 8.10 3.90 0.00 2.00 1.94 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 22 V 7.70 3.64 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 0.70 0.00 0.00 0.88 0.00 0.00 23 L 7.61 3.87 0.00 1.14 1.24 0.18 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.13 4.43 0.00 2.87 2.92 0.00 0.00 7.00 8.44 0.00 0.00 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 K 7.84 4.08 0.00 1.81 1.96 0.00 1.79 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.43 7.81 26 L 7.57 4.04 0.00 1.59 1.79 0.72 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.91 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 0.00 0.00 0.00 0.00 28 G 8.61 4.06 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 0.00 0.00 0.00 29 V 7.77 4.85 2.27 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 0.94 0.00 0.00 1.14 0.00 0.00 30 K 9.03 4.63 0.00 1.72 1.69 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.37 7.81 31 Y 8.11 5.48 0.00 3.06 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 32 D 9.35 4.83 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.67 4.83 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.04 0.96 0.00 0.00 34 D 9.23 4.66 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.60 3.94 0.00 1.78 1.68 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.26 0.00 2.09 2.12 0.00 3.99 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 37 N 7.98 4.72 0.00 2.89 2.84 0.00 0.00 7.23 7.49 0.00 0.00 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 K 7.83 3.91 0.00 1.96 2.03 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.37 7.81 39 K 8.03 5.15 0.00 1.97 1.62 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.48 7.81 40 V 9.15 4.97 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 0.95 0.00 0.00 0.97 0.00 0.00 41 C 9.35 5.38 0.00 2.96 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 42 I 9.16 5.11 2.15 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 1.26 1.00 1.05 0.00 0.00 43 E 9.39 5.09 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 2.26 2.48 0.00 44 S 8.55 4.86 0.00 4.02 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 45 E 8.89 4.35 0.00 1.95 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 2.28 2.26 0.00 46 H 8.07 4.34 0.00 3.17 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.55 4.33 0.00 4.16 4.01 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 0.00 0.00 0.00 0.00 48 M 8.58 3.90 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.05 0.00 49 D 8.00 4.32 0.00 2.70 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 50 T 7.84 3.83 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 1.08 0.00 0.00 51 L 7.92 3.81 0.00 1.87 1.47 1.07 0.27 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 52 L 8.23 3.64 0.00 1.90 1.86 1.05 0.85 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 53 A 7.76 3.94 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 54 T 8.06 3.87 4.22 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 0.00 0.00 1.08 0.00 0.00 55 L 7.80 3.87 0.00 1.54 1.53 0.04 0.32 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 56 K 8.14 4.09 0.00 1.91 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.56 7.81 57 K 7.59 4.08 0.00 1.88 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.62 7.81 58 T 7.54 4.00 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 1.15 0.00 0.00 59 G 7.96 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.40 4.34 0.00 1.76 1.93 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 61 T 8.94 4.28 4.35 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 1.23 0.00 0.00 62 V 8.42 5.02 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 0.88 0.00 0.00 0.93 0.00 0.00 63 S 9.26 4.90 0.00 3.94 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.63 4.90 0.00 2.83 2.80 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 0.00 0.00 0.00 0.00 65 L 8.54 4.12 0.00 1.34 1.52 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 66 G 5.64 2.99 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 0.00 0.00 0.00 67 L 7.67 4.49 0.00 1.61 1.56 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.68 4.03 0.00 1.88 1.82 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 2.30 2.24 0.00