NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4828 8.1633 120.6058 55.4223 34.9830 174.9699 2 I 4.6721 7.5399 116.1902 58.9098 41.1632 169.3153 3 V 3.2415 8.5250 116.8579 61.3723 32.7373 174.5483 4 P 4.3918 0.0000 0.0000 62.1888 32.2414 176.5290 5 V 3.7765 8.5353 121.7562 65.9485 31.9164 175.7721 6 R 5.0943 7.5513 116.0114 53.6373 34.1704 174.6892 7 C 3.6778 8.3916 121.2950 60.0019 31.7685 174.7629 8 F 4.3913 8.1484 124.8299 60.5393 38.7774 176.4545 9 S 4.6002 8.0543 114.7315 59.2297 63.5019 174.3746 10 C 4.6355 7.9943 111.8340 56.8611 30.9304 175.0648 11 G 3.9359 8.0507 108.3558 45.0684 0.0000 173.8487 12 K 3.6685 7.8736 120.2811 56.7217 32.4401 175.9405 13 V 4.1227 8.1384 125.2548 63.4740 32.2953 175.9996 14 V 4.3793 8.9229 121.0129 63.0985 34.6188 175.6727 15 G 3.9223 8.0726 106.7906 46.4526 0.0000 173.7713 16 D 4.8102 7.9641 117.8372 52.9975 39.7077 176.7928 17 K 4.5876 8.0173 117.9971 56.2042 33.2264 177.7315 18 W 4.6538 8.2246 130.8081 60.4297 30.6711 177.8963 19 E 3.8815 8.2892 118.2793 59.4879 29.0453 179.2863 20 S 4.3526 8.0635 114.4027 60.8786 62.8980 175.8109 21 Y 4.0322 7.1328 122.5986 60.1240 38.8937 177.1964 22 L 3.4540 7.4214 121.1716 57.9263 42.2538 178.1981 23 N 4.1642 8.4808 116.7910 56.7240 38.2577 177.2343 24 L 4.0188 7.7985 119.4287 56.9092 41.4309 178.8303 25 L 4.0384 7.2849 117.6239 55.7097 42.0267 177.6402 26 Q 4.2770 7.5190 117.8266 57.2586 29.8892 176.5795 27 E 4.0605 7.8459 118.4766 58.9944 29.6387 177.4090 28 D 4.7210 7.7777 113.7777 53.3960 41.7053 176.1822 29 E 3.8410 8.1995 116.5957 57.0222 26.9723 174.4558 30 L 4.2831 7.0775 118.6600 54.0427 42.6441 176.5106 31 D 4.5663 8.4854 120.8158 52.9614 40.6664 177.2925 32 E 4.0012 8.9731 122.4176 59.8697 29.5570 180.0178 33 G 3.7868 8.1269 104.4570 47.2132 0.0000 175.7235 34 T 4.0591 8.1986 117.5405 66.1385 69.0539 176.3348 35 A 4.1428 8.0296 122.2519 55.3776 18.2983 179.5195 36 L 4.1686 8.0337 117.2509 57.8198 41.8929 179.2572 37 S 4.3817 8.0522 113.7197 60.1267 62.5155 176.1503 38 R 4.1098 7.5908 121.2535 58.4478 29.8822 176.9244 39 L 4.5664 7.8267 117.9255 54.3682 41.7812 178.3970 40 G 3.7918 7.7561 106.1201 45.6467 0.0000 174.8372 41 L 4.3006 7.2819 120.3032 53.8278 40.4679 176.0546 42 K 4.4737 8.2916 123.1059 57.1081 34.9038 177.6381 43 R 4.0566 7.7163 116.3639 55.5250 30.2338 177.0640 44 Y 4.3721 8.3805 119.6371 60.6047 37.5311 177.4500 45 C 4.2259 8.0129 116.0936 61.1409 29.8697 174.6728 46 C 4.0114 8.0320 118.6149 62.3803 27.9000 176.6408 47 R 3.9779 8.4693 119.9663 59.0863 29.5197 179.2001 48 R 3.9560 8.0328 115.7511 58.9018 29.1205 178.7673 49 M 3.9214 7.6806 118.8686 58.5846 32.7144 177.5462 50 I 4.0354 7.4597 118.9218 63.4795 37.6399 177.7800 51 L 4.1158 8.0819 120.7098 57.1301 41.9156 177.4629 52 T 4.5569 7.2707 105.9873 61.1345 69.3924 173.7808 53 H 4.0945 7.8897 121.8457 56.4242 30.3403 174.7143 54 V 4.3824 7.5314 123.8161 61.4165 33.9856 175.6936 55 D 4.8356 8.4440 129.0228 53.0198 39.7965 176.3600 56 L 3.8903 7.5295 123.3275 56.8022 41.9936 178.1930 57 I 3.6454 7.7306 119.0661 64.0022 37.5826 177.3869 58 E 4.2066 7.7845 117.8117 58.2563 29.4801 178.3159 59 K 4.3068 8.2436 118.7234 58.1327 32.6158 178.7434 60 F 4.8168 8.4344 117.7772 60.3580 39.2181 177.4112 61 L 4.2962 8.0990 118.0057 57.1611 41.1434 178.5891 62 R 4.1516 7.6164 115.8074 56.7856 29.6471 175.5110 63 Y 4.5070 7.5741 115.8278 56.2941 40.3926 175.4146 64 N 4.5820 8.6397 118.1242 53.8913 39.1821 174.1115 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 8.16 4.48 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.84 0.00 2 I 7.54 4.67 1.85 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.80 0.84 0.00 0.00 3 V 8.52 3.24 1.91 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 0.38 0.00 0.00 0.63 0.00 0.00 4 P 0.00 4.39 0.00 1.79 1.83 0.00 3.54 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.04 0.00 5 V 8.54 3.78 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 0.97 0.00 0.00 0.92 0.00 0.00 6 R 7.55 5.09 0.00 1.61 1.88 0.00 3.61 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 7 C 8.39 3.68 0.00 2.93 2.74 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 0.00 0.00 0.00 8 F 8.15 4.39 0.00 3.10 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 9 S 8.05 4.60 0.00 3.87 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 10 C 7.99 4.64 0.00 3.00 2.96 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 11 G 8.05 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 12 K 7.87 3.67 0.00 1.76 1.70 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.45 7.81 13 V 8.14 4.12 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 0.85 0.00 0.00 0.92 0.00 0.00 14 V 8.92 4.38 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 0.79 0.00 0.00 0.87 0.00 0.00 15 G 8.07 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 0.00 0.00 0.00 16 D 7.96 4.81 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.02 4.59 0.00 1.89 1.87 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.38 1.36 7.81 18 W 8.22 4.65 0.00 3.21 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 19 E 8.29 3.88 0.00 2.10 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 2.45 2.54 0.00 20 S 8.06 4.35 0.00 3.89 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 21 Y 7.13 4.03 0.00 3.03 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 22 L 7.42 3.45 0.00 1.40 1.45 0.44 -0.14 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 23 N 8.48 4.16 0.00 2.84 2.81 0.00 0.00 7.07 6.65 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 24 L 7.80 4.02 0.00 1.66 1.61 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.28 4.04 0.00 1.41 1.52 0.53 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.52 4.28 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.98 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 27 E 7.85 4.06 0.00 2.19 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 2.30 2.22 0.00 28 D 7.78 4.72 0.00 2.56 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.20 3.84 0.00 2.09 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 2.16 2.28 0.00 30 L 7.08 4.28 0.00 1.48 1.55 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.49 4.57 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.97 4.00 0.00 2.16 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 2.49 2.46 0.00 33 G 8.13 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 34 T 8.20 4.06 4.56 0.00 0.00 0.00 0.00 0.00 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 35 A 8.03 4.14 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 36 L 8.03 4.17 0.00 1.79 1.75 0.96 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.05 4.38 0.00 4.06 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 38 R 7.59 4.11 0.00 2.02 2.04 0.00 3.30 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 39 L 7.83 4.57 0.00 1.78 1.67 1.06 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.76 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 41 L 7.28 4.30 0.00 1.69 1.66 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.29 4.47 0.00 1.83 1.90 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.37 7.81 43 R 7.72 4.06 0.00 1.81 1.97 0.00 2.87 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 44 Y 8.38 4.37 0.00 3.06 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 45 C 8.01 4.23 0.00 3.16 2.96 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 46 C 8.03 4.01 0.00 2.96 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 47 R 8.47 3.98 0.00 1.87 2.00 0.00 3.29 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.95 0.00 48 R 8.03 3.96 0.00 2.14 2.36 0.00 3.04 0.00 0.00 3.16 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 49 M 7.68 3.92 0.00 1.99 2.25 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 50 I 7.46 4.04 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.82 0.13 0.00 0.00 51 L 8.08 4.12 0.00 1.62 1.81 1.02 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.27 4.56 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 1.28 0.00 0.00 53 H 7.89 4.09 0.00 3.18 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.53 4.38 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 0.85 0.00 0.00 0.97 0.00 0.00 55 D 8.44 4.84 0.00 2.86 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 56 L 7.53 3.89 0.00 1.33 0.81 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.73 3.65 1.96 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 1.58 1.50 0.95 0.00 0.00 58 E 7.78 4.21 0.00 2.19 2.01 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 2.59 2.57 0.00 59 K 8.24 4.31 0.00 1.76 1.87 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.40 7.81 60 F 8.43 4.82 0.00 3.06 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 61 L 8.10 4.30 0.00 1.74 1.77 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.62 4.15 0.00 1.59 1.85 0.00 3.10 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 63 Y 7.57 4.51 0.00 2.86 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 64 N 8.64 4.58 0.00 2.67 2.69 0.00 0.00 6.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00