NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9393 8.3549 109.7369 45.0334 0.0000 173.4889 3 K 3.8040 8.6357 121.9348 55.7928 32.8194 170.7220 4 V 4.5095 8.6666 121.9432 61.3636 35.5134 173.5271 5 Y 5.0282 8.7920 123.8786 56.0544 41.1099 174.7100 6 K 4.5223 8.2887 122.4754 54.4596 35.4538 174.7452 7 K 4.9859 8.5362 124.9562 54.6755 34.5003 175.8325 8 V 4.5418 8.7471 117.6332 59.4701 35.3647 174.1351 9 E 5.0046 8.7697 124.8701 54.8650 30.6998 174.8976 10 L 4.8897 9.0325 126.7444 52.8295 45.9764 175.7934 11 V 4.7062 8.2994 120.2545 61.2339 33.4564 175.0818 12 G 4.5877 9.0536 116.2412 45.0735 0.0000 171.9648 13 T 5.3866 8.0882 111.9799 60.1056 72.2019 172.9530 14 S 4.6597 8.5717 115.1195 57.7827 65.8413 175.8146 15 E 4.4073 8.9891 124.5477 58.0814 29.8117 178.0268 16 E 4.2089 8.4854 118.4148 56.8645 30.2622 176.5942 17 G 3.3560 7.2585 105.5168 44.3885 0.0000 173.1058 18 L 3.7891 7.2881 118.1774 57.7783 41.4697 179.4702 19 E 3.8844 8.0158 117.7813 59.4189 29.4536 179.1413 20 A 3.9373 7.9068 119.9980 54.9985 18.4971 179.4009 21 A 3.9278 7.8689 118.9331 55.3118 18.4883 179.9199 22 I 3.4826 7.7755 118.3204 64.6880 37.0846 178.7650 23 Q 3.9087 8.3561 118.9541 58.7189 28.4973 178.7591 24 A 3.9158 8.1259 121.7505 54.9686 18.3989 179.5298 25 A 3.8779 7.8092 118.7942 55.3821 18.5624 179.7682 26 L 3.8609 7.8929 117.2809 57.6600 41.3937 179.5969 27 A 3.9560 8.0217 120.4739 55.0355 18.7002 179.3928 28 R 3.9080 7.9459 116.9343 59.4672 30.1036 178.5004 29 A 3.8980 8.0461 120.6600 55.2416 18.1242 179.6060 30 R 3.7622 7.8715 115.9486 59.1368 30.1221 178.5300 31 K 4.1152 7.6920 118.0128 58.7415 32.0985 177.6541 32 T 4.5012 7.7081 105.4190 60.5570 70.5860 173.5257 33 L 4.4946 7.8928 122.2591 52.7878 43.7530 176.0037 34 R 4.4682 8.1004 120.9468 55.6603 32.5983 174.9812 35 H 4.1824 8.4604 113.1722 56.8792 26.0487 175.1175 36 L 4.5159 8.1465 119.0686 55.3552 42.1390 175.7472 37 D 5.2050 9.3106 122.6330 55.2564 43.2144 176.1570 38 W 5.5185 7.8600 113.2989 55.0633 31.9735 173.0725 39 F 5.3975 8.3153 114.2367 55.2883 41.1337 173.9115 40 E 4.6924 9.2715 118.6456 54.6431 33.3403 175.0876 41 V 4.1809 8.7503 125.5124 63.1065 31.6506 175.5515 42 K 4.4518 9.2794 128.0195 58.4156 33.3066 176.9538 43 E 4.8363 7.9182 116.7179 55.0539 34.3169 174.3120 44 I 4.9368 8.3628 122.6560 59.8939 40.0189 174.9422 45 R 4.7128 9.1056 125.4634 54.9140 35.1447 173.7009 46 G 4.2295 7.9677 106.2450 46.9549 0.0000 172.4547 47 T 4.7787 8.0278 109.9623 59.9645 71.7595 173.5434 48 I 4.8331 8.2401 122.5249 59.8107 40.2825 175.4274 49 G 4.2701 8.9174 114.8712 44.0378 0.0000 172.7419 50 E 3.9328 8.9315 117.1778 58.6838 29.5412 177.7193 51 A 4.6466 8.0668 119.7249 51.7906 20.5352 176.3293 52 G 3.9971 7.6612 106.0382 44.8576 0.0000 176.2894 53 V 3.7145 8.1795 124.7238 63.0887 31.2016 174.6823 54 K 4.1892 8.5247 129.9763 57.3819 32.7821 174.8304 55 E 4.7318 8.3057 118.9419 54.3382 32.7714 174.1237 56 Y 4.5849 8.9161 125.1137 57.8346 39.7443 174.6518 57 Q 4.7455 9.3950 122.3422 54.3185 32.6122 174.4545 58 V 4.6661 8.8124 125.7242 61.0527 33.8693 174.5809 59 V 4.7053 8.6954 129.6614 61.9781 32.6871 174.7397 60 L 5.2687 9.1026 127.7450 54.2713 44.4085 174.9091 61 E 4.9820 9.2494 120.7994 55.3075 31.7160 175.2061 62 V 4.4953 8.8617 124.1327 61.0032 34.3254 174.2360 63 G 3.1363 8.0342 115.9147 44.0413 0.0000 172.3853 64 F 5.7415 8.6696 118.3508 54.7970 41.8624 173.6527 65 A 4.1323 8.8620 123.3011 51.6876 19.0112 177.2740 66 L 4.2980 8.2631 123.4392 54.1229 42.3117 177.4283 67 E 4.1032 8.9019 123.1111 56.4801 30.3194 176.8187 68 E 4.2327 8.5154 119.5242 56.6351 29.7659 176.2040 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 2 G 8.35 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 3 K 8.64 3.80 0.00 1.80 1.40 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.47 7.81 4 V 8.67 4.51 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 1.09 0.00 0.00 0.91 0.00 0.00 5 Y 8.79 5.03 0.00 3.04 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 6 K 8.29 4.52 0.00 1.44 0.74 0.00 1.54 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.14 1.25 7.81 7 K 8.54 4.99 0.00 1.64 1.64 0.00 2.05 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.14 1.45 7.81 8 V 8.75 4.54 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 0.89 0.00 0.00 1.07 0.00 0.00 9 E 8.77 5.00 0.00 1.98 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 2.22 2.50 0.00 10 L 9.03 4.89 0.00 1.54 1.48 0.87 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.30 4.71 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 0.84 0.00 0.00 0.93 0.00 0.00 12 G 9.05 4.59 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 0.00 0.00 0.00 13 T 8.09 5.39 4.26 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 14 S 8.57 4.66 0.00 3.92 3.89 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 15 E 8.99 4.41 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 2.45 2.30 0.00 16 E 8.49 4.21 0.00 1.97 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 2.35 2.40 0.00 17 G 7.26 3.36 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 0.00 18 L 7.29 3.79 0.00 1.56 1.63 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.02 3.88 0.00 1.99 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 2.38 2.42 0.00 20 A 7.91 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.87 3.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.78 3.48 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.77 0.34 0.00 0.00 23 Q 8.36 3.91 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 24 A 8.13 3.92 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 25 A 7.81 3.88 1.24 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 0.00 0.00 0.00 26 L 7.89 3.86 0.00 1.74 1.64 0.62 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.02 3.96 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 28 R 7.95 3.91 0.00 1.93 2.04 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.05 3.90 1.30 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 0.00 0.00 30 R 7.87 3.76 0.00 1.86 2.19 0.00 3.25 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 31 K 7.69 4.12 0.00 1.94 1.82 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.59 7.81 32 T 7.71 4.50 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 33 L 7.89 4.49 0.00 1.39 0.97 0.32 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.10 4.47 0.00 1.70 1.54 0.00 3.28 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 35 H 8.46 4.18 0.00 3.66 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.15 4.52 0.00 1.67 1.66 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.31 5.20 0.00 3.12 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 38 W 7.86 5.52 0.00 3.25 3.18 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 39 F 8.32 5.40 0.00 3.05 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 40 E 9.27 4.69 0.00 1.97 1.93 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 2.40 2.51 0.00 41 V 8.75 4.18 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 0.88 0.00 0.00 1.12 0.00 0.00 42 K 9.28 4.45 0.00 1.66 1.87 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.80 7.81 43 E 7.92 4.84 0.00 1.90 1.80 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 2.32 2.36 0.00 44 I 8.36 4.94 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.65 1.00 0.00 0.00 45 R 9.11 4.71 0.00 1.69 1.80 0.00 3.54 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 46 G 7.97 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 0.00 0.00 0.00 0.00 47 T 8.03 4.78 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 48 I 8.24 4.83 1.84 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 1.22 0.63 0.88 0.00 0.00 49 G 8.92 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 0.00 0.00 0.00 0.00 50 E 8.93 3.93 0.00 1.96 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 2.30 2.25 0.00 51 A 8.07 4.65 1.24 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 0.00 0.00 0.00 52 G 7.66 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.18 3.71 1.75 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 -0.21 0.00 0.00 0.67 0.00 0.00 54 K 8.52 4.19 0.00 1.86 1.63 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.35 1.34 7.81 55 E 8.31 4.73 0.00 2.03 1.70 0.00 0.00 0.00 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 2.25 0.00 56 Y 8.92 4.58 0.00 3.06 2.83 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 57 Q 9.40 4.75 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.81 4.67 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 0.95 0.00 0.00 0.95 0.00 0.00 59 V 8.70 4.71 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 0.84 0.00 0.00 0.95 0.00 0.00 60 L 9.10 5.27 0.00 1.93 1.73 0.70 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.25 4.98 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 62 V 8.86 4.50 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 0.92 0.00 0.00 0.90 0.00 0.00 63 G 8.03 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.67 5.74 0.00 3.39 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 65 A 8.86 4.13 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.26 4.30 0.00 1.52 1.57 0.83 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.90 4.10 0.00 1.99 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 2.35 2.44 0.00 68 E 8.52 4.23 0.00 1.93 1.83 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 2.20 2.24 0.00