NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3885 8.3049 120.3201 54.8012 34.5094 174.6517 2 H 4.5118 7.7421 116.1001 52.7551 30.1409 174.2043 3 S 4.3612 9.2916 120.2806 58.3212 63.3166 172.7870 4 R 4.6717 8.4624 119.8950 54.4208 34.7599 173.7450 5 F 5.0998 7.2275 114.8811 55.9041 39.8066 175.8711 6 V 4.3318 8.0339 113.6298 59.7372 36.3390 173.7925 7 K 4.4377 9.2472 127.2964 55.3854 33.3500 175.7748 8 V 4.8578 9.3164 120.2613 59.3880 36.5127 174.2424 9 K 4.7243 8.5768 122.0627 54.6398 35.8249 174.8083 10 C 4.4388 9.6157 129.2701 58.8338 31.9515 172.7404 11 P 4.4120 0.0000 0.0000 65.6237 31.6398 177.3297 12 D 4.5051 8.0541 117.6329 56.8187 41.4945 177.2557 13 C 4.1232 8.0096 118.8342 60.5759 31.7832 174.5881 14 E 3.8881 8.6268 116.3239 56.6055 27.5002 173.3306 15 H 4.8823 7.4846 118.9061 54.8442 32.0871 173.6864 16 E 4.7888 8.1586 122.8987 55.9493 30.5374 175.7193 17 Q 4.5968 9.9992 122.0842 54.3511 34.1634 173.8772 18 V 4.7057 8.2845 120.5756 61.2117 33.2504 174.5004 19 I 4.3151 8.0102 120.6069 58.7202 41.4061 174.5734 20 F 4.9691 8.1083 121.0267 56.9489 40.0890 175.3134 21 D 4.4382 8.1379 121.1838 53.3627 39.7482 175.8835 22 H 3.9402 8.6725 122.0715 55.8263 25.0991 172.2809 23 P 4.7079 0.0000 0.0000 62.3695 33.6155 176.0469 24 S 4.5786 8.7013 111.9530 59.5051 64.9812 174.5320 25 T 4.6265 7.5048 108.0158 59.3439 70.8606 173.9950 26 I 3.8579 8.1083 123.2542 61.6178 38.0926 175.7996 27 V 4.2007 8.4244 126.3919 61.5806 32.7019 174.5051 28 K 4.9097 8.4424 127.5847 54.4323 34.3311 176.0610 29 C 4.2030 9.4659 126.3579 59.7391 31.9090 174.6084 30 I 3.8577 8.6010 119.7233 62.8614 36.8817 176.5654 31 I 3.8285 6.9693 122.8647 62.1019 37.6656 176.1731 32 C 4.2890 8.6446 123.3589 63.0083 32.6653 174.5325 33 G 4.0255 7.8493 107.0836 45.4128 0.0000 173.4317 34 R 4.4542 7.9930 116.7839 54.7630 31.7641 175.6608 35 T 4.4212 8.5178 118.2523 64.5269 68.6040 174.2200 36 V 4.4054 9.0011 119.0819 61.7737 35.0182 175.6732 37 A 4.9899 7.7563 120.7818 50.4683 22.7255 174.8806 38 E 5.0318 8.7928 120.9221 53.8627 32.4552 175.7686 39 P 4.1331 0.0000 0.0000 63.8653 32.3451 177.1538 40 T 3.0135 7.7118 111.5991 63.2497 67.5780 172.0940 41 G 3.7301 8.4944 107.0733 45.0990 0.0000 169.3313 42 G 3.7535 8.7335 120.5881 45.4640 0.0000 168.9237 43 K 3.7800 8.8551 127.1940 55.5089 29.3525 175.6357 44 G 3.7939 8.4402 110.7206 46.0861 0.0000 170.6484 45 N 5.0572 9.0194 121.4678 51.3886 42.4060 173.2724 46 I 4.2262 8.3474 126.6396 60.0639 37.9607 175.9954 47 K 4.4287 8.2965 129.1212 56.2414 32.4922 176.3125 48 A 4.7337 7.4500 118.0017 50.0510 23.1665 176.4548 49 E 4.0752 8.3586 120.1744 56.1799 30.4647 176.0707 50 I 4.1631 8.3523 128.5468 61.6168 37.7052 175.5917 51 I 4.1149 8.2570 128.0701 61.5460 37.6967 176.4562 52 E 5.0127 7.2035 117.7165 56.6277 34.6428 174.6019 53 Y 4.5486 9.2698 117.6820 58.6462 38.6680 176.0367 54 V 4.2510 8.6145 121.6536 61.6665 33.3509 175.6338 55 D 4.2503 8.1778 122.3320 55.4141 41.1624 177.8000 56 Q 4.0536 7.3075 118.1215 55.3452 26.8666 175.7276 57 I 4.1890 7.4514 123.6502 60.2540 38.5532 176.0493 58 E 4.2485 8.7605 121.0425 56.6716 29.5222 175.8480 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 4.39 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 2 H 7.74 4.51 0.00 3.22 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.29 4.36 0.00 3.95 3.81 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 4 R 8.46 4.67 0.00 1.59 1.45 0.00 3.09 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.27 0.00 5 F 7.23 5.10 0.00 2.93 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.03 4.33 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 0.37 0.00 0.00 0.96 0.00 0.00 7 K 9.25 4.44 0.00 1.78 1.89 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.38 7.81 8 V 9.32 4.86 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 0.64 0.00 0.00 0.93 0.00 0.00 9 K 8.58 4.72 0.00 1.77 1.57 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.39 7.81 10 C 9.62 4.44 0.00 3.00 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 11 P 0.00 4.41 0.00 2.22 2.16 0.00 3.81 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 1.98 1.98 0.00 12 D 8.05 4.51 0.00 2.69 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 13 C 8.01 4.12 0.00 2.96 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 14 E 8.63 3.89 0.00 2.14 2.12 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 2.41 2.35 0.00 15 H 7.48 4.88 0.00 3.38 3.16 0.00 5.77 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.16 4.79 0.00 1.76 1.78 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 2.24 2.27 0.00 17 Q 10.00 4.60 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 18 V 8.28 4.71 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 0.77 0.00 0.00 0.87 0.00 0.00 19 I 8.01 4.32 1.75 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 1.16 0.72 0.80 0.00 0.00 20 F 8.11 4.97 0.00 2.97 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 21 D 8.14 4.44 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.67 3.94 0.00 3.30 3.46 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.71 0.00 2.26 2.29 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 24 S 8.70 4.58 0.00 3.84 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 25 T 7.50 4.63 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 1.22 0.00 0.00 26 I 8.11 3.86 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.54 0.96 0.00 0.00 27 V 8.42 4.20 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 0.96 0.00 0.00 0.96 0.00 0.00 28 K 8.44 4.91 0.00 1.67 1.70 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.59 1.41 7.81 29 C 9.47 4.20 0.00 3.10 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 30 I 8.60 3.86 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.71 0.90 0.00 0.00 31 I 6.97 3.83 1.85 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 0.76 0.86 0.00 0.00 32 C 8.64 4.29 0.00 2.91 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 33 G 7.85 4.03 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 0.00 0.00 0.00 34 R 7.99 4.45 0.00 1.89 2.05 0.00 2.97 0.00 0.00 3.33 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 35 T 8.52 4.42 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 36 V 9.00 4.41 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 0.86 0.00 0.00 0.95 0.00 0.00 37 A 7.76 4.99 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 38 E 8.79 5.03 0.00 1.92 1.81 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 2.20 2.21 0.00 39 P 0.00 4.13 0.00 2.18 2.19 0.00 3.90 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 1.99 1.96 0.00 40 T 7.71 3.01 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 1.26 0.00 0.00 41 G 8.49 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 42 G 8.73 3.75 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 0.00 0.00 0.00 43 K 8.86 3.78 0.00 1.93 1.96 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.56 7.81 44 G 8.44 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 45 N 9.02 5.06 0.00 2.68 2.59 0.00 0.00 7.16 8.39 0.00 0.00 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 I 8.35 4.23 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.96 0.00 0.00 47 K 8.30 4.43 0.00 1.77 1.81 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 48 A 7.45 4.73 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 49 E 8.36 4.08 0.00 2.21 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 50 I 8.35 4.16 1.88 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 1.33 0.65 0.93 0.00 0.00 51 I 8.26 4.11 1.88 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 1.23 0.40 0.93 0.00 0.00 52 E 7.20 5.01 0.00 1.95 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 2.30 2.24 0.00 53 Y 9.27 4.55 0.00 2.89 3.24 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 54 V 8.61 4.25 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 0.72 0.00 0.00 1.00 0.00 0.00 55 D 8.18 4.25 0.00 2.61 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.31 4.05 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 57 I 7.45 4.19 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.52 1.18 0.00 0.00 58 E 8.76 4.25 0.00 2.07 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 0.00 2.33 2.37 0.00