NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9393 8.3393 109.7373 44.7209 0.0000 173.5367 2 P 4.3151 0.0000 0.0000 61.1329 32.3548 175.7275 3 A 4.1060 8.4431 123.6771 52.9281 16.3477 176.7758 4 S 3.8578 7.8074 114.0698 57.1272 62.6774 171.4817 5 V 4.4597 7.1313 120.2179 59.1965 34.4454 175.0441 6 P 4.6061 0.0000 0.0000 61.2268 30.6394 176.4290 7 T 4.3596 7.0601 108.8007 62.6590 70.3015 171.1258 8 T 4.5319 8.1890 124.8583 64.2615 72.0247 174.2008 9 C 4.8064 7.5576 118.0694 55.4367 44.2023 175.6503 10 C 4.4857 7.9897 120.7908 55.9481 38.4834 173.4229 11 F 4.4134 8.0201 121.9814 59.7867 39.5405 176.4028 12 N 4.7528 7.9187 120.0176 51.6956 37.1803 173.7350 13 L 4.1579 7.7914 120.1941 54.1473 42.8502 177.2366 14 A 4.3352 8.5868 126.2988 52.4176 19.1166 177.3382 15 N 4.7614 8.7779 119.5175 55.4783 39.5343 176.5150 16 R 3.9466 7.6009 115.1501 55.5731 30.8634 175.5659 17 K 2.4800 7.5567 118.5830 54.6113 34.1355 176.1354 18 I 3.9729 7.0330 123.5029 59.4346 38.2707 174.0281 19 P 4.4765 0.0000 0.0000 62.2215 32.5774 176.4090 20 L 4.0414 8.1598 119.1129 57.6059 41.8953 179.4081 21 Q 3.9719 7.9861 118.2963 58.6315 29.2655 176.7760 22 R 4.2876 7.7826 116.1466 56.8138 30.7886 175.6129 23 L 4.6570 7.5975 117.6462 55.4667 41.7829 176.1386 24 E 4.5386 9.3818 123.6465 57.7872 32.1729 175.1105 25 S 4.9594 7.8374 111.4169 58.6406 66.0768 173.4529 26 Y 5.3708 8.7634 116.8978 55.9926 40.8824 174.5730 27 R 4.1375 9.3053 122.3003 54.4165 32.5636 174.5189 28 R 4.3399 8.1683 126.9412 56.0222 31.0485 175.3065 29 I 4.4936 8.7005 125.4228 59.5733 40.3018 177.1303 30 T 4.0834 7.9176 121.6060 63.0089 69.9682 173.7990 31 S 4.4472 8.1666 117.4902 57.9470 63.7682 173.4396 32 G 4.2123 8.3624 108.3219 45.5795 0.0000 174.5708 33 K 4.3929 8.0508 119.8285 57.4743 34.4294 178.1151 34 C 4.6051 7.8671 114.2427 55.8829 40.8991 171.8717 35 P 4.3410 0.0000 0.0000 64.5785 31.6454 176.6897 36 Q 4.5365 7.6603 115.4662 53.7458 31.3049 174.8468 37 K 4.2507 8.5528 120.6834 56.9970 33.2476 175.7298 38 A 4.4742 7.9688 121.9641 51.5483 23.3412 174.9431 39 V 4.6136 8.8013 117.1777 61.2937 35.5326 174.5883 40 I 4.9189 8.1978 124.4110 59.4577 40.9047 174.6040 41 F 5.6059 9.3744 124.7252 55.7595 42.4648 174.5361 42 K 5.2018 9.5361 121.3200 55.2389 35.4913 176.6199 43 T 4.8332 8.2640 115.4684 60.8712 71.1680 174.5414 44 K 4.5684 8.2324 122.9843 57.2561 32.2570 177.3291 45 L 4.6738 7.3804 113.9815 53.3496 42.6290 176.3770 46 A 3.8150 8.2910 118.8639 53.3525 16.2019 178.1821 47 K 4.7842 7.8267 117.2500 56.1215 36.5098 175.8713 48 D 5.5889 8.7880 122.5671 52.9856 43.9436 175.3659 49 I 4.8451 9.0734 120.2652 60.2152 42.3988 173.6103 50 C 5.1354 8.8338 120.5515 56.2192 39.5569 172.6980 51 A 5.1745 9.1590 122.8747 50.7202 22.3994 175.1391 52 D 4.7754 8.5672 120.0551 52.6726 42.4300 175.2465 53 P 4.3896 0.0000 0.0000 63.4747 31.7107 176.3167 54 K 4.4242 7.3746 119.3383 56.2390 32.4631 175.6477 55 K 4.4962 7.3857 116.1794 54.3409 34.3690 177.8964 56 K 3.9603 8.4605 120.1280 59.4482 32.1300 179.8529 57 W 4.2594 8.0099 116.3945 59.2146 28.1726 178.4820 58 V 3.2895 6.3862 118.8357 65.5218 30.9593 177.8896 59 Q 3.9457 7.8156 117.8658 59.0945 28.6069 178.3015 60 D 4.4369 8.1563 118.9910 57.1853 41.1341 178.4792 61 S 4.0111 8.0484 115.9634 61.7420 62.7748 176.2751 62 M 3.6629 8.8093 121.6894 58.5336 32.0420 178.1765 63 K 3.8781 8.5245 120.1997 59.3699 32.3176 178.1480 64 Y 4.0889 8.3981 120.2267 60.8146 38.5796 178.1366 65 L 3.6698 7.8266 118.7733 57.7923 41.8138 179.0033 66 D 4.5286 8.4511 119.2554 57.3297 40.4765 178.5820 67 Q 4.0555 8.1872 119.7399 58.6187 29.1266 177.5484 68 K 3.8455 7.5830 120.0536 58.3364 32.2638 176.4311 69 S 4.2525 7.0925 111.8950 57.3191 62.8345 171.3578 70 P 4.6348 0.0000 0.0000 61.9617 32.2157 176.7563 71 T 3.9160 8.4444 109.8293 64.2746 68.8559 173.4081 72 P 4.4612 0.0000 0.0000 60.8502 32.6254 174.7936 73 K 3.5980 8.3227 119.5943 56.0940 32.9048 173.2494 74 P 4.4238 0.0000 0.0000 63.0428 31.5465 175.9196 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 G 8.34 3.94 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 0.00 0.00 0.00 2 P 0.00 4.32 0.00 2.28 2.06 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 3 A 8.44 4.11 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.81 3.86 0.00 4.00 3.80 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 5 V 7.13 4.46 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 0.80 0.00 0.00 0.92 0.00 0.00 6 P 0.00 4.61 0.00 2.21 2.15 0.00 3.80 0.00 0.00 3.58 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 7 T 7.06 4.36 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 1.19 0.00 0.00 8 T 8.19 4.53 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 9 C 7.56 4.81 0.00 1.96 2.11 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 0.00 10 C 7.99 4.49 0.00 2.82 2.98 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 0.00 0.00 0.00 11 F 8.02 4.41 0.00 3.14 3.04 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 0.00 0.00 0.00 12 N 7.92 4.75 0.00 2.77 2.82 0.00 0.00 7.04 7.82 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 13 L 7.79 4.16 0.00 1.77 1.70 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.59 4.34 1.61 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 15 N 8.78 4.76 0.00 2.73 2.91 0.00 0.00 7.10 7.72 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 16 R 7.60 3.95 0.00 1.58 1.60 0.00 3.08 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 17 K 7.56 2.48 0.00 1.61 1.29 0.00 1.51 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.08 1.18 7.81 18 I 7.03 3.97 1.75 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.04 0.86 0.00 0.00 19 P 0.00 4.48 0.00 2.10 1.95 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 20 L 8.16 4.04 0.00 1.35 0.95 0.15 0.23 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 21 Q 7.99 3.97 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 22 R 7.78 4.29 0.00 1.85 1.86 0.00 3.22 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 23 L 7.60 4.66 0.00 1.78 1.70 0.76 0.74 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 24 E 9.38 4.54 0.00 1.97 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 0.00 2.26 2.25 0.00 25 S 7.84 4.96 0.00 3.98 3.77 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 0.00 0.00 0.00 26 Y 8.76 5.37 0.00 3.09 3.22 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 0.00 27 R 9.31 4.14 0.00 1.74 1.69 0.00 3.00 0.00 0.00 2.91 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.43 0.00 28 R 8.17 4.34 0.00 1.78 1.68 0.00 3.22 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 29 I 8.70 4.49 1.94 0.00 0.00 0.74 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 0.99 0.82 0.00 0.00 30 T 7.92 4.08 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 1.18 0.00 0.00 31 S 8.17 4.45 0.00 3.79 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 32 G 8.36 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.39 0.00 1.69 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.40 7.81 34 C 7.87 4.61 0.00 2.88 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 35 P 0.00 4.34 0.00 2.30 2.28 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 36 Q 7.66 4.54 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.15 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 37 K 8.55 4.25 0.00 1.63 1.90 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.42 7.81 38 A 7.97 4.47 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.80 4.61 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.84 0.00 0.00 40 I 8.20 4.92 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.85 0.92 0.00 0.00 41 F 9.37 5.61 0.00 3.18 3.01 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 42 K 9.54 5.20 0.00 1.83 1.74 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.45 7.81 43 T 8.26 4.83 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 1.25 0.00 0.00 44 K 8.23 4.57 0.00 1.88 1.84 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.42 7.81 45 L 7.38 4.67 0.00 1.61 1.61 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.29 3.82 1.36 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 0.00 0.00 0.00 47 K 7.83 4.78 0.00 1.69 1.68 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.68 7.81 48 D 8.79 5.59 0.00 2.54 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 49 I 9.07 4.85 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 1.04 0.00 0.00 50 C 8.83 5.14 0.00 3.11 3.01 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 51 A 9.16 5.17 1.18 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 52 D 8.57 4.78 0.00 2.77 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.17 2.08 0.00 3.73 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 54 K 7.37 4.42 0.00 1.61 1.77 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.35 7.81 55 K 7.39 4.50 0.00 1.44 0.92 0.00 1.90 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.40 1.37 7.81 56 K 8.46 3.96 0.00 1.87 1.89 0.00 1.69 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.48 7.81 57 W 8.01 4.26 0.00 3.59 3.30 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 0.00 58 V 6.39 3.29 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 -1.05 0.00 0.00 59 Q 7.82 3.95 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 60 D 8.16 4.44 0.00 2.89 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 61 S 8.05 4.01 0.00 3.77 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.81 3.66 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 63 K 8.52 3.88 0.00 1.92 1.81 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.45 7.81 64 Y 8.40 4.09 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 65 L 7.83 3.67 0.00 0.76 1.48 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.45 4.53 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 4.06 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 68 K 7.58 3.85 0.00 1.50 1.79 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.28 7.81 69 S 7.09 4.25 0.00 4.10 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 70 P 0.00 4.63 0.00 2.21 2.02 0.00 3.82 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 1.97 1.94 0.00 71 T 8.44 3.92 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 72 P 0.00 4.46 0.00 2.20 2.11 0.00 3.84 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 1.94 0.00 73 K 8.32 3.60 0.00 2.00 1.89 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.40 7.81 74 P 0.00 4.42 0.00 2.19 2.06 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00