NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5177 8.3049 120.3320 55.0173 33.4530 174.9192 2 K 4.1727 8.5050 121.8794 55.2667 33.3354 175.5048 3 K 4.6187 9.1505 122.5562 56.7481 34.5759 175.1834 4 Y 4.8962 8.9141 119.6087 56.4176 41.8813 174.4661 5 T 5.0793 8.7294 117.2104 60.1381 70.9152 172.5730 6 C 3.4296 8.7931 129.6880 59.1593 32.1061 173.9989 7 T 4.1731 8.4358 116.3303 62.4352 69.1629 175.9445 8 V 3.8530 7.6442 122.2749 65.2346 31.9484 176.1933 9 C 4.5360 8.0712 111.0575 57.5414 31.1506 174.5708 10 G 3.9703 8.1922 107.9158 44.5250 0.0000 173.0361 11 Y 4.2985 7.9821 121.1445 58.4124 39.9755 174.8593 12 I 4.6968 7.4641 125.8708 59.5044 39.0830 174.4040 13 Y 4.2919 9.1801 130.0618 57.0916 40.1294 173.4650 14 N 4.9613 7.9574 126.0674 50.9216 40.5735 173.4470 15 P 4.1067 0.0000 0.0000 65.4294 31.7431 178.4769 16 E 4.0527 8.2109 118.3453 58.7851 29.4830 177.5527 17 D 4.5005 7.9397 117.5470 53.6787 42.2078 178.3050 18 G 3.9506 7.8252 106.8061 45.4125 0.0000 173.1037 19 D 4.9824 8.6956 112.0738 52.2690 41.8085 175.2204 20 P 4.4592 0.0000 0.0000 65.7113 32.0460 179.2697 21 D 4.4912 8.2255 117.4611 56.3699 40.8867 176.5037 22 N 4.8778 8.2669 115.6597 52.9581 38.8408 175.4716 23 G 3.7874 8.3158 105.2442 45.6678 0.0000 174.2507 24 V 4.0643 7.4464 119.8924 60.7335 31.5420 175.0092 25 N 4.8401 8.3462 125.1101 51.8992 39.3256 173.2369 26 P 4.2024 0.0000 0.0000 64.7924 31.7652 176.9623 27 G 3.9060 9.4353 110.4748 45.6060 0.0000 173.1778 28 T 4.2860 7.2855 116.8279 61.8953 69.3358 174.5060 29 D 4.5585 8.4869 126.3484 53.8000 42.4677 176.4054 30 F 3.4075 9.0188 127.7710 60.9549 39.3372 177.4774 31 K 3.8192 7.8654 118.1091 59.5681 32.3738 177.2614 32 D 4.4447 7.6106 117.1430 54.5776 41.2379 176.8385 33 I 3.3804 6.6157 121.0049 60.2053 37.5877 174.2189 34 P 4.1548 0.0000 0.0000 63.3919 31.5649 176.6094 35 D 4.5478 8.5934 120.6395 55.2919 40.9013 176.4887 36 D 4.7093 7.7632 117.9005 52.6079 40.1563 176.5535 37 W 4.2061 8.0345 130.6162 57.6951 31.1999 175.2757 38 V 4.2317 6.8144 116.2836 58.6652 34.9589 175.0699 39 C 3.5648 8.4293 122.5081 58.9982 31.5722 173.1530 40 P 4.1644 0.0000 0.0000 64.7007 31.4032 177.2000 41 L 4.2954 7.5514 118.4030 56.3461 42.3419 177.0197 42 C 4.5162 7.9815 109.1966 57.3127 31.0630 174.7361 43 G 3.7964 8.0107 108.5192 45.3711 0.0000 174.1372 44 V 3.8612 7.3226 113.0182 60.5003 32.7190 175.9961 45 G 4.1952 8.3211 110.9190 44.6273 0.0000 174.8700 46 K 4.2371 8.7733 118.2761 59.4620 32.0190 178.9969 47 D 4.6853 8.2834 116.2853 55.2151 39.6406 176.5738 48 Q 4.5156 8.4302 118.6734 56.0102 29.1899 174.8867 49 F 5.2170 8.4468 117.2980 56.5953 40.7198 175.1729 50 E 4.8896 9.0396 119.7137 54.2500 34.0549 174.7568 51 E 2.7676 8.6003 123.6210 56.0361 30.5006 176.2355 52 V 3.9071 7.9037 127.4568 61.7605 32.2364 175.7415 53 E 4.1438 8.5541 126.7214 56.5740 29.5289 176.3156 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 4.52 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.63 0.00 2 K 8.50 4.17 0.00 1.92 1.63 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.67 7.81 3 K 9.15 4.62 0.00 1.67 1.78 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.45 7.81 4 Y 8.91 4.90 0.00 2.58 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.73 5.08 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 1.15 0.00 0.00 6 C 8.79 3.43 0.00 2.35 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.44 4.17 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 1.29 0.00 0.00 8 V 7.64 3.85 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 0.83 0.00 0.00 0.91 0.00 0.00 9 C 8.07 4.54 0.00 3.10 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 10 G 8.19 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 11 Y 7.98 4.30 0.00 3.16 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 12 I 7.46 4.70 1.68 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 1.30 0.97 0.82 0.00 0.00 13 Y 9.18 4.29 0.00 3.56 3.12 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 14 N 7.96 4.96 0.00 2.62 2.46 0.00 0.00 6.93 7.71 0.00 0.00 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 P 0.00 4.11 0.00 2.28 2.54 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.23 0.00 16 E 8.21 4.05 0.00 2.04 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 2.32 2.24 0.00 17 D 7.94 4.50 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 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 19 D 8.70 4.98 0.00 3.17 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 20 P 0.00 4.46 0.00 2.30 2.33 0.00 3.85 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 21 D 8.23 4.49 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 22 N 8.27 4.88 0.00 3.12 2.94 0.00 0.00 7.06 7.80 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 23 G 8.32 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 24 V 7.45 4.06 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 0.97 0.00 0.00 0.62 0.00 0.00 25 N 8.35 4.84 0.00 2.87 2.72 0.00 0.00 7.04 8.03 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 26 P 0.00 4.20 0.00 2.04 2.21 0.00 3.69 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 2.04 2.26 0.00 27 G 9.44 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 T 7.29 4.29 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 1.06 0.00 0.00 29 D 8.49 4.56 0.00 2.76 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 30 F 9.02 3.41 0.00 2.51 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 0.00 0.00 0.00 31 K 7.87 3.82 0.00 1.85 1.91 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.39 7.81 32 D 7.61 4.44 0.00 2.71 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 33 I 6.62 3.38 0.96 0.00 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 -0.07 -0.09 0.00 0.00 34 P 0.00 4.15 0.00 2.23 1.95 0.00 3.38 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 2.06 2.05 0.00 35 D 8.59 4.55 0.00 2.62 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 36 D 7.76 4.71 0.00 2.77 2.76 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 37 W 8.03 4.21 0.00 3.13 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 38 V 6.81 4.23 1.98 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 0.68 0.00 0.00 0.63 0.00 0.00 39 C 8.43 3.56 0.00 3.18 2.76 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 40 P 0.00 4.16 0.00 2.06 2.07 0.00 3.01 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.96 0.00 41 L 7.55 4.30 0.00 1.60 1.73 1.11 0.85 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 42 C 7.98 4.52 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 43 G 8.01 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 44 V 7.32 3.86 2.13 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 0.73 0.00 0.00 0.98 0.00 0.00 45 G 8.32 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 0.00 0.00 0.00 0.00 46 K 8.77 4.24 0.00 1.89 1.97 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.72 7.81 47 D 8.28 4.69 0.00 2.85 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 48 Q 8.43 4.52 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 49 F 8.45 5.22 0.00 3.27 2.92 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 50 E 9.04 4.89 0.00 1.84 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 2.28 2.28 0.00 51 E 8.60 2.77 0.00 1.60 1.59 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 1.93 1.53 0.00 52 V 7.90 3.91 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 0.74 0.00 0.00 0.87 0.00 0.00 53 E 8.55 4.14 0.00 1.91 1.79 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 2.23 2.30 0.00