NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2882 8.3001 120.3277 55.4725 33.6345 175.5567 2 A 3.9365 8.1724 127.3312 50.7542 17.2444 175.5545 3 E 3.8595 8.5082 114.4186 57.1586 30.4788 175.7627 4 D 4.6991 8.5280 121.4650 55.0632 43.1172 175.9774 5 E 4.4498 8.3518 117.1566 55.9777 29.5180 176.5690 6 G 3.7591 7.4417 103.4776 44.7615 0.0000 172.7010 7 Y 4.7801 7.6460 124.0166 54.6640 39.8555 173.4760 8 P 4.6486 0.0000 0.0000 62.4507 33.3650 174.9489 9 A 5.1777 8.9295 123.0701 50.4008 22.3500 174.3903 10 E 4.9781 9.0863 123.7460 54.0830 31.6882 175.3971 11 V 3.8605 8.6990 127.6507 63.7444 31.9670 176.1250 12 I 3.9918 8.4696 121.4824 62.5736 39.3610 175.7565 13 E 4.7380 7.7576 120.2716 54.9948 32.8599 174.1152 14 I 4.4348 8.3127 126.6933 60.8001 38.2201 175.6412 15 I 3.9057 8.7550 128.0850 61.4003 36.5755 178.1449 16 G 4.0204 7.1205 111.0547 46.6810 0.0000 171.8121 17 R 4.6767 8.1985 126.1714 55.3304 32.0959 175.7711 18 T 4.4011 8.5507 114.2568 64.2907 72.1509 176.0007 19 G 3.5168 8.8154 109.5866 46.3669 0.0000 170.6087 20 T 3.5312 8.1506 114.6093 65.0655 67.5073 173.1625 21 T 3.9885 8.0346 120.7316 64.9350 69.2693 174.6807 22 G 4.5847 8.8336 123.2585 47.4750 0.0000 171.4627 23 D 4.2957 7.7307 127.4561 55.6111 39.0603 174.1742 24 V 3.9786 7.2858 117.8910 63.1970 33.9706 175.6227 25 T 4.7941 9.0374 120.9502 62.0458 71.8239 173.0111 26 Q 4.8823 8.3392 126.2220 55.0521 30.5612 175.6883 27 V 4.5181 8.9543 116.1730 59.6452 36.7674 174.2806 28 K 5.0348 8.7668 122.5081 55.1839 34.1272 176.1433 29 V 4.9221 8.8090 117.1514 59.5664 36.1832 174.4709 30 R 5.1546 8.8784 123.0670 54.3685 32.9799 174.9840 31 I 4.3499 8.4033 126.0883 61.6976 37.5232 177.0555 32 L 4.2198 8.9650 127.5576 57.1641 42.3766 176.3657 33 E 4.5369 8.1264 116.2860 55.9293 32.6028 174.7856 34 G 4.0956 9.6165 110.8047 46.6411 0.0000 171.2304 35 R 3.9214 7.3415 119.8189 57.2905 30.5337 176.6717 36 D 4.2614 8.1464 119.1407 57.3883 41.2584 178.1410 37 K 3.5875 8.6570 117.0537 58.2377 29.5769 173.2160 38 G 3.8348 7.4470 118.2463 45.6108 0.0000 171.8426 39 R 4.5093 8.2330 120.9463 54.2268 32.5825 174.5172 40 V 4.7404 8.4140 120.5539 60.4101 33.0528 175.4317 41 I 4.8261 9.2008 118.3527 59.1996 41.9893 174.0864 42 R 4.9178 8.5687 117.8963 54.7327 30.7763 174.9874 43 R 4.7287 8.8918 124.3577 54.5522 32.5226 175.1993 44 N 5.3747 8.6350 120.3394 51.3140 39.3035 173.9889 45 V 4.5454 8.6848 121.9405 61.4767 36.0952 173.2214 46 R 4.5407 8.4056 122.6331 56.3379 30.9866 177.0801 47 G 3.9639 8.9586 109.3899 44.0967 0.0000 172.1474 48 P 4.5480 0.0000 0.0000 63.7457 32.9428 175.1174 49 V 4.2424 7.7528 115.9047 62.3055 33.4721 171.7495 50 R 4.5152 7.9279 118.0199 54.2934 33.7631 174.8409 51 V 3.5909 8.4905 121.6144 64.0711 31.6547 174.4871 52 G 3.8581 8.3928 117.9624 45.4271 0.0000 173.6731 53 D 4.5516 8.1352 119.7746 54.8299 42.4307 176.0773 54 I 5.2275 8.0562 122.6235 59.8700 41.2413 174.7103 55 L 4.5696 8.8001 124.2874 53.7407 46.5021 174.8018 56 I 4.3193 8.3010 123.7847 60.8355 37.4701 176.0755 57 L 4.5369 7.2519 125.9985 52.6357 41.3355 177.3776 58 R 3.9859 8.2007 120.0374 58.3854 30.5845 177.3777 59 E 4.6061 7.9687 117.2463 57.4586 35.5727 176.5691 60 T 3.4293 8.0661 109.2395 60.9944 66.3703 171.6535 61 E 3.5913 7.4306 117.1868 58.3122 29.3540 172.9476 62 R 4.5841 8.1481 115.3329 58.0623 35.6389 174.1464 63 E 3.5632 8.0116 119.9305 56.7686 26.2329 174.6887 64 A 4.5709 7.6695 130.4676 50.5862 18.5507 177.6159 65 R 3.8443 7.7555 124.2090 58.8414 31.3479 177.2716 66 E 3.5344 7.8739 115.5614 56.0736 27.4732 173.5260 67 I 3.5769 7.4756 119.1295 61.1095 38.5311 176.0027 68 K 4.0038 8.8422 128.0258 59.5248 32.1308 178.3313 69 S 3.9341 8.2989 112.2397 61.1533 62.2334 174.9383 70 R 3.5266 7.1867 117.9610 57.1543 27.9257 176.1125 71 R 4.2326 8.0169 119.9979 55.8160 30.7478 175.7655 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 4.29 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.55 0.00 2 A 8.17 3.94 1.43 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 0.00 0.00 3 E 8.51 3.86 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 4 D 8.53 4.70 0.00 2.92 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.35 4.45 0.00 1.96 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 2.30 2.31 0.00 6 G 7.44 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.65 4.78 0.00 3.28 3.09 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 0.00 0.00 0.00 0.00 8 P 0.00 4.65 0.00 2.15 2.20 0.00 3.71 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 9 A 8.93 5.18 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 10 E 9.09 4.98 0.00 2.04 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 2.45 2.26 0.00 11 V 8.70 3.86 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 1.03 0.00 0.00 0.98 0.00 0.00 12 I 8.47 3.99 1.88 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 1.02 0.92 0.98 0.00 0.00 13 E 7.76 4.74 0.00 2.03 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 2.26 2.31 0.00 14 I 8.31 4.43 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 1.35 0.70 0.91 0.00 0.00 15 I 8.75 3.91 2.05 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 1.28 0.48 0.91 0.00 0.00 16 G 7.12 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 17 R 8.20 4.68 0.00 1.77 1.85 0.00 3.18 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.77 0.00 18 T 8.55 4.40 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 G 8.82 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 3.53 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 21 T 8.03 3.99 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 22 G 8.83 4.58 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 0.00 0.00 0.00 23 D 7.73 4.30 0.00 2.74 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 24 V 7.29 3.98 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 1.11 0.00 0.00 0.96 0.00 0.00 25 T 9.04 4.79 4.49 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 0.00 0.00 0.00 1.28 0.00 0.00 26 Q 8.34 4.88 0.00 1.88 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.86 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 27 V 8.95 4.52 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 0.98 0.00 0.00 28 K 8.77 5.03 0.00 1.90 1.72 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.40 7.81 29 V 8.81 4.92 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 0.69 0.00 0.00 0.96 0.00 0.00 30 R 8.88 5.15 0.00 1.81 1.75 0.00 3.09 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 31 I 8.40 4.35 1.92 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.07 0.93 0.00 0.00 32 L 8.96 4.22 0.00 1.68 1.74 0.94 0.89 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 33 E 8.13 4.54 0.00 1.89 1.81 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 2.14 2.24 0.00 34 G 9.62 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 0.00 0.00 0.00 35 R 7.34 3.92 0.00 1.91 1.87 0.00 3.24 0.00 0.00 3.19 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 36 D 8.15 4.26 0.00 2.56 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.66 3.59 0.00 1.78 1.76 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.57 7.81 38 G 7.45 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 39 R 8.23 4.51 0.00 1.85 1.73 0.00 3.19 0.00 0.00 3.28 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 40 V 8.41 4.74 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 0.73 0.00 0.00 0.93 0.00 0.00 41 I 9.20 4.83 1.89 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.92 0.00 0.00 42 R 8.57 4.92 0.00 1.97 1.97 0.00 3.19 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 43 R 8.89 4.73 0.00 1.76 1.87 0.00 3.26 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 44 N 8.63 5.37 0.00 2.70 2.80 0.00 0.00 5.81 7.68 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 45 V 8.68 4.55 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 0.97 0.00 0.00 0.93 0.00 0.00 46 R 8.41 4.54 0.00 1.73 1.84 0.00 3.53 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 47 G 8.96 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 48 P 0.00 4.55 0.00 2.19 2.12 0.00 3.80 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 1.98 1.95 0.00 49 V 7.75 4.24 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 0.66 0.00 0.00 1.00 0.00 0.00 50 R 7.93 4.52 0.00 1.84 1.81 0.00 3.17 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 51 V 8.49 3.59 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 0.86 0.00 0.00 0.93 0.00 0.00 52 G 8.39 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 53 D 8.14 4.55 0.00 2.91 2.59 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 54 I 8.06 5.23 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 1.35 1.05 0.91 0.00 0.00 55 L 8.80 4.57 0.00 1.54 1.47 0.98 0.65 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 56 I 8.30 4.32 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.43 0.67 0.00 0.00 57 L 7.25 4.54 0.00 1.34 1.58 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.20 3.99 0.00 1.84 1.98 0.00 3.06 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 59 E 7.97 4.61 0.00 2.11 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 2.22 2.27 0.00 60 T 8.07 3.43 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 1.25 0.00 0.00 61 E 7.43 3.59 0.00 2.18 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 2.26 2.22 0.00 62 R 8.15 4.58 0.00 1.72 1.86 0.00 3.37 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 63 E 8.01 3.56 0.00 2.17 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 2.21 2.29 0.00 64 A 7.67 4.57 1.25 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 0.00 0.00 0.00 65 R 7.76 3.84 0.00 1.81 2.01 0.00 3.36 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 66 E 7.87 3.53 0.00 2.07 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 2.19 2.34 0.00 67 I 7.48 3.58 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 1.15 0.91 0.00 0.00 68 K 8.84 4.00 0.00 1.78 1.86 0.00 1.85 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 69 S 8.30 3.93 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 70 R 7.19 3.53 0.00 1.98 1.92 0.00 3.30 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 71 R 8.02 4.23 0.00 1.79 1.76 0.00 3.29 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00