NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.4837 0.0000 0.0000 62.3602 33.6456 174.9363 2 I 4.8740 8.2738 122.6513 59.1391 40.0635 173.0160 3 A 4.7906 9.4741 129.9963 49.9812 22.2148 174.4242 4 Q 4.9178 8.6711 122.5120 54.3347 31.5656 174.4071 5 I 4.4791 8.7766 127.7866 59.8437 39.9841 174.2529 6 H 5.2475 8.8161 124.3504 54.3015 29.8629 174.2522 7 I 4.6303 8.2526 116.4899 58.5950 41.2936 174.8570 8 L 4.7118 8.3037 122.8025 54.2258 42.2916 176.9953 9 E 4.2522 8.6093 120.7730 57.1050 29.9693 176.0310 10 G 3.5746 8.7384 109.0548 45.5678 0.0000 174.5148 11 R 4.3528 7.6230 119.4241 55.1777 31.6546 176.7625 12 S 4.5283 8.1941 115.7494 57.7807 65.5833 175.2014 13 D 4.3939 8.5039 121.5619 57.3920 40.4726 179.0026 14 E 3.9585 8.0738 118.7261 59.5322 29.5421 179.0998 15 Q 4.0159 7.7786 118.1375 59.0760 28.7932 179.2422 16 K 3.9889 7.9749 118.9497 59.2387 31.9210 179.1146 17 E 3.9760 8.2002 119.8461 59.4289 29.4393 179.0675 18 T 3.9110 8.0198 116.0024 66.2479 68.5405 176.4999 19 L 3.9287 8.0824 122.4184 58.3867 42.1641 179.1513 20 I 3.7025 7.7742 119.6347 64.2266 36.9575 178.5349 21 R 3.8778 7.8307 119.3351 59.3792 30.0468 178.2698 22 E 3.9426 8.4240 118.7726 59.5814 29.5250 179.6486 23 V 3.6247 7.9185 118.1449 66.0555 31.5558 178.2381 24 S 4.1560 7.9518 114.5413 61.4818 62.5812 176.5963 25 E 3.9142 8.4101 121.1081 59.3024 29.2162 178.9724 26 A 3.9754 7.9877 120.7759 55.3770 18.4113 179.8032 27 I 3.6223 7.8123 117.9909 64.6036 37.2403 178.5900 28 S 4.1519 8.0435 113.9747 61.2995 62.0325 176.1570 29 R 3.8321 8.6558 121.6145 59.6773 29.7128 178.5548 30 S 4.1060 8.0087 113.5320 61.3137 62.8881 175.5158 31 L 4.3949 7.7903 116.4985 53.6635 41.9282 175.6405 32 D 4.3340 7.5707 117.1744 55.2721 40.0855 172.8686 33 A 4.7849 7.4601 118.5542 48.9141 21.5395 175.7525 34 P 4.3006 0.0000 0.0000 62.5685 32.1002 176.9082 35 L 3.8902 8.9369 124.9675 58.5182 41.8978 178.8239 36 T 4.0655 7.8905 106.2520 63.4139 68.6934 174.6147 37 S 4.4462 8.0150 116.4053 58.8254 63.8823 174.3667 38 V 4.0898 7.5417 122.6087 62.7554 32.1781 175.3398 39 R 4.7023 8.9079 126.3735 54.3213 33.2317 174.6292 40 V 4.8839 8.4927 123.0693 61.0563 34.5111 174.4640 41 I 4.5699 8.8458 127.9393 59.5878 40.2728 174.2812 42 I 4.7696 8.3983 127.5710 59.9884 39.1862 175.2278 43 T 4.5185 8.6687 122.9938 61.7821 71.4163 173.0795 44 E 4.8080 8.8507 126.2630 55.9125 31.1082 175.8288 45 M 4.8557 8.8002 122.6596 53.1871 35.2475 175.4361 46 A 4.5338 8.5783 124.4242 51.6658 19.7022 178.6794 47 K 4.0194 9.0429 120.3222 59.1714 32.3615 178.8971 48 G 3.9818 7.9980 105.2939 45.6300 0.0000 173.4571 49 H 4.9651 8.6182 114.8668 54.9506 29.7074 173.5554 50 F 5.0726 8.1594 122.5502 56.2739 41.5526 173.6292 51 G 4.1410 8.3555 116.3663 43.5258 0.0000 172.2888 52 I 4.1034 8.1241 122.8612 59.9593 39.6266 176.0437 53 G 3.9357 9.5329 113.9681 46.5477 0.0000 174.0359 54 G 3.9323 8.7305 105.8340 44.9085 0.0000 173.8362 55 E 4.6944 7.6385 117.9280 53.6427 33.0457 175.2950 56 L 4.3489 8.4290 121.2953 55.1612 42.4275 178.5856 57 A 3.7983 8.9220 125.8878 55.0905 18.8049 180.2673 58 S 4.0974 7.9344 110.1075 61.7426 62.9795 176.2750 59 K 4.5014 7.4515 117.5470 56.1637 31.4684 177.8797 60 V 4.4936 7.3542 113.9554 61.2651 33.2251 174.8365 61 R 4.6491 8.2326 118.4720 54.4536 34.3755 174.9866 62 R 4.0667 8.7351 118.3646 57.1734 29.8711 176.0454 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 P 0.00 4.48 0.00 2.09 2.03 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 2 I 8.27 4.87 1.87 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 1.27 0.72 0.90 0.00 0.00 3 A 9.47 4.79 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.67 4.92 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.64 0.00 0.00 0.00 0.00 0.00 2.09 2.24 0.00 5 I 8.78 4.48 1.83 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 1.21 0.55 0.88 0.00 0.00 6 H 8.82 5.25 0.00 2.91 3.10 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.25 4.63 1.82 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 1.18 1.27 0.86 0.00 0.00 8 L 8.30 4.71 0.00 1.53 1.63 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.61 4.25 0.00 1.97 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 0.00 2.31 2.27 0.00 10 G 8.74 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.62 4.35 0.00 1.78 1.85 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 12 S 8.19 4.53 0.00 4.04 3.99 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 13 D 8.50 4.39 0.00 2.78 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 14 E 8.07 3.96 0.00 2.05 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 2.40 2.46 0.00 15 Q 7.78 4.02 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 16 K 7.97 3.99 0.00 1.81 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.67 7.81 17 E 8.20 3.98 0.00 2.27 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 2.30 2.34 0.00 18 T 8.02 3.91 4.40 0.00 0.00 0.00 0.00 0.00 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 19 L 8.08 3.93 0.00 1.83 1.84 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.77 3.70 2.00 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 1.39 0.88 0.90 0.00 0.00 21 R 7.83 3.88 0.00 1.94 1.90 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 22 E 8.42 3.94 0.00 1.99 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 0.00 2.47 2.46 0.00 23 V 7.92 3.62 2.24 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 1.02 0.00 0.00 0.95 0.00 0.00 24 S 7.95 4.16 0.00 4.16 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 25 E 8.41 3.91 0.00 2.09 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 2.48 2.47 0.00 26 A 7.99 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.62 1.87 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 1.40 0.87 0.91 0.00 0.00 28 S 8.04 4.15 0.00 3.90 4.09 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 29 R 8.66 3.83 0.00 2.11 1.90 0.00 3.16 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 30 S 8.01 4.11 0.00 3.93 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 31 L 7.79 4.39 0.00 1.65 1.69 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.57 4.33 0.00 2.74 2.70 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 0.00 0.00 0.00 33 A 7.46 4.78 1.23 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 34 P 0.00 4.30 0.00 2.23 2.21 0.00 3.73 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 2.07 1.95 0.00 35 L 8.94 3.89 0.00 1.73 1.73 0.92 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 36 T 7.89 4.07 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 37 S 8.01 4.45 0.00 3.97 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 38 V 7.54 4.09 2.16 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 0.75 0.00 0.00 0.93 0.00 0.00 39 R 8.91 4.70 0.00 1.81 1.77 0.00 3.16 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 40 V 8.49 4.88 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 0.80 0.00 0.00 0.92 0.00 0.00 41 I 8.85 4.57 1.84 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 1.21 0.65 0.87 0.00 0.00 42 I 8.40 4.77 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 1.31 0.52 0.87 0.00 0.00 43 T 8.67 4.52 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 1.20 0.00 0.00 44 E 8.85 4.81 0.00 1.84 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 2.26 2.31 0.00 45 M 8.80 4.86 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 46 A 8.58 4.53 1.09 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 0.00 0.00 47 K 9.04 4.02 0.00 1.89 1.93 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.45 7.81 48 G 8.00 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 0.00 0.00 0.00 49 H 8.62 4.97 0.00 3.39 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.16 5.07 0.00 2.96 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 51 G 8.36 4.14 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 52 I 8.12 4.10 1.69 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 0.88 0.28 0.83 0.00 0.00 53 G 9.53 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 54 G 8.73 3.93 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 0.00 0.00 0.00 55 E 7.64 4.69 0.00 1.94 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 0.00 2.18 2.21 0.00 56 L 8.43 4.35 0.00 1.69 1.61 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.92 3.80 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.93 4.10 0.00 4.14 4.16 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 59 K 7.45 4.50 0.00 1.73 1.87 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.37 7.81 60 V 7.35 4.49 2.17 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 0.73 0.00 0.00 0.91 0.00 0.00 61 R 8.23 4.65 0.00 1.99 1.86 0.00 3.27 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 62 R 8.74 4.07 0.00 1.78 1.87 0.00 3.27 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00