NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4055 8.1233 122.4738 51.7896 20.8400 175.1456 2 K 5.0247 8.2804 117.5187 54.4390 35.9432 173.5798 3 Y 5.1542 9.2921 121.2309 56.1591 42.4652 174.3708 4 V 4.8277 8.8114 123.3408 59.9993 34.3703 174.4869 5 C 3.4539 8.9545 125.7891 58.7224 31.6688 174.3319 6 K 4.0491 8.8226 127.0607 59.1590 31.7092 179.0859 7 I 3.8939 7.8294 120.6899 63.7754 37.2860 176.4795 8 C 4.5899 8.1915 110.8570 57.4848 31.0124 174.6627 9 G 3.9509 8.2031 108.8032 44.8474 0.0000 173.0532 10 Y 4.2964 7.8779 121.5688 57.8235 40.1879 174.5219 11 I 4.7693 7.5781 126.5796 59.6614 39.1599 174.3533 12 Y 4.3259 9.4739 130.0783 56.8687 40.2079 173.3678 13 D 4.7609 7.7789 126.2997 52.2383 43.1696 176.4492 14 E 3.8722 8.8177 126.2122 59.5785 30.0157 179.4154 15 D 4.4727 8.4667 118.5656 56.4397 41.1161 177.1565 16 A 4.2356 7.7287 120.5637 51.5901 20.2490 178.6485 17 G 4.0125 7.9231 104.1736 45.7267 0.0000 173.8455 18 D 4.9753 8.6205 111.7364 52.1470 42.6289 174.7256 19 P 4.3947 0.0000 0.0000 65.8439 31.6891 179.2541 20 D 4.5383 8.2221 116.9676 56.2411 40.8747 176.4400 21 N 4.9532 8.2640 116.1068 52.9901 39.0977 175.0807 22 G 3.8016 8.2825 104.3608 45.8805 0.0000 174.2612 23 V 4.1909 7.5805 119.6404 60.3108 32.7383 175.2443 24 S 4.5806 8.3328 122.2711 57.0078 63.8712 172.0004 25 P 4.3728 0.0000 0.0000 64.5440 31.4321 177.0130 26 G 3.9585 9.1349 111.2931 45.3456 0.0000 173.6418 27 T 4.1219 7.3413 117.1086 62.6219 68.9775 174.9781 28 K 4.3871 8.4769 126.3128 56.0200 33.3022 177.6397 29 F 3.4732 9.4331 125.1211 61.3763 39.2238 177.6227 30 E 3.8863 8.0478 118.1032 58.9508 29.3741 177.6208 31 E 4.1150 7.7051 116.5567 57.2488 29.9782 177.0549 32 I 3.5264 6.6519 120.4859 59.8818 37.7348 174.2250 33 P 4.2395 0.0000 0.0000 62.9281 31.6799 177.2422 34 D 4.3852 8.6405 121.2094 56.8078 40.8499 176.9910 35 D 4.6864 7.8754 116.3224 52.7187 40.1063 176.3633 36 W 4.2933 7.9345 130.6332 57.4457 31.2466 175.3251 37 V 4.2747 6.8343 116.1617 58.6752 35.2440 174.9493 38 C 3.6245 8.5797 121.9033 59.2406 31.4925 173.1866 39 P 4.0883 0.0000 0.0000 65.0023 31.3117 177.5152 40 I 3.9698 7.3875 119.3643 63.2817 37.5817 176.3210 41 C 4.4117 7.9163 111.0339 57.4161 30.5800 174.5771 42 G 3.7350 8.1550 108.4615 45.3964 0.0000 173.6481 43 A 4.1037 7.5366 123.0715 50.9253 19.2083 176.2103 44 P 4.8242 0.0000 0.0000 62.0180 32.5253 177.4908 45 K 4.3515 8.8485 118.0928 59.6352 32.0408 179.6302 46 S 4.3326 8.3261 112.3118 60.9779 63.0246 174.6466 47 E 4.5223 8.7421 119.9254 56.2604 29.2938 175.0768 48 F 5.2853 8.2605 117.9375 55.9516 41.2634 174.9459 49 E 4.7767 9.0416 122.2395 54.0617 32.8165 174.7806 50 K 3.5628 8.6445 128.0880 56.1090 33.1425 176.4493 51 L 4.2427 8.1304 126.2982 54.8856 41.3225 176.5355 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 A 8.12 4.41 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 2 K 8.28 5.02 0.00 1.71 1.65 0.00 1.57 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.50 7.81 3 Y 9.29 5.15 0.00 2.75 2.79 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 4 V 8.81 4.83 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 0.73 0.00 0.00 0.92 0.00 0.00 5 C 8.95 3.45 0.00 2.36 2.75 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 6 K 8.82 4.05 0.00 1.66 1.83 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.50 7.81 7 I 7.83 3.89 1.80 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 1.40 0.70 0.88 0.00 0.00 8 C 8.19 4.59 0.00 3.05 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 9 G 8.20 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.88 4.30 0.00 3.17 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.58 4.77 1.70 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 1.29 0.97 0.85 0.00 0.00 12 Y 9.47 4.33 0.00 3.53 3.08 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 13 D 7.78 4.76 0.00 2.59 2.28 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 14 E 8.82 3.87 0.00 2.03 2.05 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 2.81 2.68 0.00 15 D 8.47 4.47 0.00 2.74 2.69 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 16 A 7.73 4.24 1.20 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 0.00 0.00 0.00 17 G 7.92 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 0.00 0.00 0.00 18 D 8.62 4.98 0.00 3.21 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 19 P 0.00 4.39 0.00 2.29 2.35 0.00 3.85 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 20 D 8.22 4.54 0.00 2.75 2.81 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 21 N 8.26 4.95 0.00 3.15 2.94 0.00 0.00 7.04 6.95 0.00 0.00 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 G 8.28 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 0.00 0.00 0.00 23 V 7.58 4.19 2.30 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 1.01 0.00 0.00 0.69 0.00 0.00 24 S 8.33 4.58 0.00 4.05 3.98 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 25 P 0.00 4.37 0.00 2.06 2.22 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.25 0.00 26 G 9.13 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 27 T 7.34 4.12 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 1.09 0.00 0.00 28 K 8.48 4.39 0.00 1.81 1.95 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.44 7.81 29 F 9.43 3.47 0.00 2.34 2.52 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 30 E 8.05 3.89 0.00 1.94 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 2.37 2.47 0.00 31 E 7.71 4.11 0.00 1.96 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 2.27 2.37 0.00 32 I 6.65 3.53 1.04 0.00 0.00 -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 0.53 -0.04 -0.00 0.00 0.00 33 P 0.00 4.24 0.00 2.23 1.98 0.00 3.39 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 34 D 8.64 4.39 0.00 2.64 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 35 D 7.88 4.69 0.00 2.78 2.77 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 36 W 7.93 4.29 0.00 3.11 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 37 V 6.83 4.27 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 0.68 0.00 0.00 0.66 0.00 0.00 38 C 8.58 3.62 0.00 3.08 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 39 P 0.00 4.09 0.00 2.01 2.02 0.00 3.15 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.82 0.00 40 I 7.39 3.97 1.82 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 1.15 0.93 0.91 0.00 0.00 41 C 7.92 4.41 0.00 3.01 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 42 G 8.16 3.73 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 0.00 0.00 0.00 43 A 7.54 4.10 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 44 P 0.00 4.82 0.00 2.31 2.24 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.01 0.00 45 K 8.85 4.35 0.00 1.90 1.99 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.71 7.81 46 S 8.33 4.33 0.00 4.06 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 47 E 8.74 4.52 0.00 2.14 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 2.35 2.44 0.00 48 F 8.26 5.29 0.00 3.21 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 49 E 9.04 4.78 0.00 2.02 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 50 K 8.64 3.56 0.00 1.36 1.45 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.67 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.01 0.36 7.81 51 L 8.13 4.24 0.00 1.51 1.48 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00