NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4753 8.1927 115.2983 57.9671 63.8154 173.9388 4 F 3.8122 9.0196 130.0885 60.6007 39.3680 175.3600 5 L 4.0539 8.3802 119.7760 57.8373 42.2866 177.7729 6 L 3.9640 8.0220 120.7182 58.4539 42.0749 179.3508 7 S 4.1097 7.8422 113.5446 61.1148 62.9668 176.5859 8 K 3.7782 7.8620 122.2201 59.1140 31.8271 179.1824 9 V 3.7351 8.1867 119.1998 66.3509 31.4843 178.2714 10 S 4.2825 8.4612 113.6471 60.8266 62.8830 176.1297 11 F 3.9447 8.0861 124.4704 61.2561 39.0952 177.2809 12 V 3.5669 7.8531 117.4789 65.6758 31.1872 177.9781 13 I 3.8006 7.7766 119.6564 64.3704 37.0323 178.2526 14 K 3.9568 7.8890 120.2420 59.2510 31.9998 178.5884 15 K 3.6749 7.9942 120.2161 59.7413 32.0615 178.8862 16 I 3.7505 7.8840 120.0406 64.0007 36.9716 178.3189 17 R 3.8614 8.1193 119.8656 59.5922 29.9050 178.6639 18 L 4.0092 7.9977 118.6414 57.7122 41.3730 179.1909 19 E 3.9773 7.9349 117.8019 59.2710 29.5206 178.9373 20 K 4.2700 8.1810 116.0692 56.1841 32.4069 177.2882 21 G 3.8547 7.7612 107.2521 46.7730 0.0000 173.2932 22 M 4.6487 7.8035 118.9288 53.5592 33.7159 177.2950 23 T 4.2903 8.9558 114.5261 61.0846 71.3728 175.9871 24 Q 4.0303 8.4841 119.7810 58.9970 28.6276 178.8179 25 E 4.0644 8.1837 118.2226 59.3862 29.6379 178.8793 26 D 4.4102 8.0252 119.9377 57.1341 40.8660 178.4666 27 L 3.9359 8.0603 120.5719 57.9909 41.9999 178.6714 28 A 4.0066 8.3688 121.1597 55.4649 18.4291 178.9069 29 Y 4.0571 8.4478 118.3004 60.9916 38.6782 178.5946 30 K 3.7892 7.9612 117.7181 58.6779 32.2231 178.6781 31 S 4.4171 8.0365 113.5744 57.7448 63.2591 174.2316 32 N 4.2077 7.3012 116.7669 54.0353 36.2910 173.8704 33 L 4.7474 7.2812 116.9597 52.7306 44.2614 176.5892 34 D 4.5532 8.3277 119.3397 54.0116 43.1389 177.0953 35 R 3.9793 8.7303 125.6145 59.9152 30.1634 179.3289 36 T 3.9088 8.1361 108.7892 65.0062 68.1050 175.6519 37 Y 4.2045 8.0062 121.7775 60.4439 38.9750 177.6755 38 I 3.5386 7.5841 120.6074 64.3709 37.2833 178.0271 39 S 4.1592 8.1585 114.0305 61.5894 62.0654 176.3937 40 G 3.6968 8.4179 108.4568 48.0164 0.0000 175.5467 41 I 3.7178 7.6522 121.4576 64.0740 37.1497 177.9823 42 E 4.1443 8.0200 118.0085 58.4328 29.6158 178.1078 43 R 4.3640 8.3203 117.3046 56.9294 31.0581 176.2365 44 N 4.7817 7.8455 113.5607 52.0877 39.5828 173.7741 45 S 3.7102 7.9687 109.2449 59.4303 61.9705 172.6688 46 R 4.1272 7.8228 117.7216 56.7809 30.7183 176.6142 47 N 4.7179 8.4495 119.5514 53.4781 40.0011 173.7912 48 L 4.6333 8.1162 117.0716 54.6785 42.7834 175.1897 49 T 4.4713 8.1903 111.7898 60.5398 71.7698 175.9729 50 I 3.6977 8.1916 122.1990 64.6996 37.1621 178.4839 51 K 3.8667 8.1760 118.5835 60.0127 31.8287 179.3394 52 S 4.1914 8.0591 114.6761 61.2911 62.7373 176.4767 53 L 3.8078 8.0060 123.2522 58.1302 41.9693 178.7260 54 E 3.9588 8.4620 119.6802 59.1224 29.5569 178.7886 55 L 3.9930 8.0644 119.2172 57.7458 41.6609 179.5663 56 I 3.7091 7.8193 119.8959 64.6261 37.0756 178.3362 57 M 3.9448 8.3414 119.9007 58.1730 31.6791 178.8195 58 K 4.0387 7.9938 119.6021 59.3686 32.1707 179.1684 59 G 3.6155 7.8998 105.0118 47.7256 0.0000 175.1542 60 L 4.1342 8.0108 118.8945 54.5580 42.9049 176.5877 61 E 3.8068 7.7033 118.5740 57.5359 27.4540 175.0261 62 V 4.5131 7.7262 116.3178 59.1625 34.7552 177.1370 63 S 4.3815 8.4640 117.4604 57.9990 65.1109 174.6599 64 D 4.3974 8.7461 123.6183 58.0736 40.6600 179.7173 65 V 3.7852 7.9368 117.5546 66.4558 31.6054 178.4356 66 V 3.8458 7.7456 111.7780 64.0866 31.2349 178.3524 67 F 3.8429 8.2265 120.5348 61.4463 39.1769 177.3609 68 F 4.4057 8.3288 117.2861 60.4007 38.6393 177.6592 69 E 4.0196 8.3965 118.6193 59.7171 29.3092 179.2132 70 M 4.0099 8.0909 118.7551 58.0794 31.9180 178.5361 71 L 3.8206 7.8430 120.7201 58.1282 42.2685 178.9798 72 I 3.7219 8.0061 119.8480 64.4848 37.1127 178.2402 73 K 3.8449 7.9245 119.1304 59.7626 31.6932 178.9156 74 E 3.8582 7.8937 117.9735 59.3363 29.6309 178.6067 75 I 3.9353 7.7415 118.9678 64.3173 37.1967 178.0944 76 L 4.2585 7.9353 121.7132 57.8647 41.5944 178.3827 77 K 4.3110 7.8592 127.3488 56.9479 31.8708 179.3917 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 3 S 8.19 4.48 0.00 3.92 3.86 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 0.00 0.00 0.00 4 F 9.02 3.81 0.00 3.26 2.97 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 5 L 8.38 4.05 0.00 1.99 1.76 1.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.02 3.96 0.00 1.80 1.67 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.84 4.11 0.00 4.01 4.05 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 8 K 7.86 3.78 0.00 1.83 1.79 0.00 1.41 0.00 0.00 1.19 0.00 0.00 2.20 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.79 1.18 7.81 9 V 8.19 3.74 2.29 0.00 0.00 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 1.13 0.00 0.00 10 S 8.46 4.28 0.00 4.17 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.09 3.94 0.00 3.29 3.20 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 12 V 7.85 3.57 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 0.18 0.00 0.00 0.87 0.00 0.00 13 I 7.78 3.80 2.06 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 1.48 0.76 0.90 0.00 0.00 14 K 7.89 3.96 0.00 1.85 1.66 0.00 1.52 0.00 0.00 1.36 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.61 7.81 15 K 7.99 3.67 0.00 1.51 1.76 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.35 7.81 16 I 7.88 3.75 1.90 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 1.38 0.41 0.93 0.00 0.00 17 R 8.12 3.86 0.00 1.96 2.07 0.00 3.26 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.67 0.00 18 L 8.00 4.01 0.00 1.80 1.65 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 19 E 7.93 3.98 0.00 2.15 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 2.32 2.32 0.00 20 K 8.18 4.27 0.00 1.85 1.86 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.73 7.81 21 G 7.76 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 22 M 7.80 4.65 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 23 T 8.96 4.29 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 1.20 0.00 0.00 24 Q 8.48 4.03 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 25 E 8.18 4.06 0.00 2.17 2.23 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 2.37 2.34 0.00 26 D 8.03 4.41 0.00 3.04 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 27 L 8.06 3.94 0.00 1.78 1.84 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.37 4.01 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 4.06 0.00 2.99 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.96 3.79 0.00 1.98 1.82 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.79 1.70 7.81 31 S 8.04 4.42 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 32 N 7.30 4.21 0.00 2.96 2.88 0.00 0.00 6.84 7.73 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 33 L 7.28 4.75 0.00 1.65 1.76 1.14 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.33 4.55 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.73 3.98 0.00 1.92 2.01 0.00 3.23 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.75 0.00 36 T 8.14 3.91 4.29 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 37 Y 8.01 4.20 0.00 3.04 3.20 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 38 I 7.58 3.54 2.03 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 1.66 1.05 0.88 0.00 0.00 39 S 8.16 4.16 0.00 3.89 4.06 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 0.00 0.00 0.00 40 G 8.42 3.70 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 0.00 0.00 0.00 41 I 7.65 3.72 1.82 0.00 0.00 -0.11 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 0.06 0.80 0.00 0.00 42 E 8.02 4.14 0.00 1.91 1.95 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 2.27 2.42 0.00 43 R 8.32 4.36 0.00 1.89 1.92 0.00 3.38 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 44 N 7.85 4.78 0.00 2.67 2.75 0.00 0.00 7.13 7.63 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 45 S 7.97 3.71 0.00 4.12 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 46 R 7.82 4.13 0.00 1.80 1.91 0.00 3.35 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 47 N 8.45 4.72 0.00 2.70 2.80 0.00 0.00 6.85 7.78 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 48 L 8.12 4.63 0.00 1.79 1.56 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.19 4.47 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 1.25 0.00 0.00 50 I 8.19 3.70 1.89 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 1.67 0.93 0.95 0.00 0.00 51 K 8.18 3.87 0.00 1.80 1.88 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 52 S 8.06 4.19 0.00 4.17 4.08 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 53 L 8.01 3.81 0.00 1.91 1.68 0.84 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.46 3.96 0.00 2.10 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 0.00 2.28 2.32 0.00 55 L 8.06 3.99 0.00 1.91 1.68 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.82 3.71 1.93 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 1.50 0.82 0.85 0.00 0.00 57 M 8.34 3.94 0.00 2.02 1.93 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 58 K 7.99 4.04 0.00 1.82 2.02 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.42 7.81 59 G 7.90 3.62 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 0.00 0.00 0.00 60 L 8.01 4.13 0.00 1.79 1.75 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.70 3.81 0.00 2.07 1.95 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 2.26 2.35 0.00 62 V 7.73 4.51 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 0.88 0.00 0.00 0.99 0.00 0.00 63 S 8.46 4.38 0.00 4.11 4.06 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 0.00 0.00 0.00 64 D 8.75 4.40 0.00 2.88 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.94 3.79 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 1.19 0.00 0.00 1.01 0.00 0.00 66 V 7.75 3.85 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.95 0.00 0.00 67 F 8.23 3.84 0.00 2.99 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 68 F 8.33 4.41 0.00 3.27 3.16 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 69 E 8.40 4.02 0.00 2.32 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 2.36 2.41 0.00 70 M 8.09 4.01 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 71 L 7.84 3.82 0.00 1.67 1.92 1.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 72 I 8.01 3.72 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.57 0.94 0.00 0.00 73 K 7.92 3.84 0.00 2.04 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.47 7.81 74 E 7.89 3.86 0.00 2.07 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 2.19 2.05 0.00 75 I 7.74 3.94 2.06 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.69 1.05 0.00 0.00 76 L 7.94 4.26 0.00 1.77 1.73 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.86 4.31 0.00 1.88 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.32 7.81