NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2964 8.3149 120.1411 56.5158 33.8847 176.4775 2 S 4.2701 7.7234 113.9365 55.9483 64.6230 172.7224 3 P 4.4840 0.0000 0.0000 65.9417 31.6747 177.5903 4 E 3.8894 8.2881 118.7095 59.5111 29.5083 178.7568 5 E 4.0723 8.1899 117.6626 59.1336 29.5503 179.1741 6 L 4.1521 7.5910 118.2100 57.4914 41.6061 179.3257 7 K 3.3868 8.2965 119.8850 59.2407 32.1303 178.8728 8 G 3.6474 7.8074 105.3296 48.0010 0.0000 175.3509 9 I 3.7826 8.2394 123.4076 63.8620 37.1123 177.9453 10 F 3.8593 8.5839 121.5578 61.5944 39.1065 176.8544 11 E 3.4364 8.7496 118.8444 59.0704 29.1986 178.6001 12 K 4.0509 8.3351 119.2476 59.1703 32.4086 177.5851 13 Y 4.0647 7.7991 116.2514 59.8750 38.5324 177.7541 14 A 4.7188 8.5936 123.5483 54.1748 18.0975 179.1361 15 A 4.0662 8.1300 118.5674 54.3184 18.7521 178.8233 16 K 3.7623 7.5830 118.0123 57.8443 32.4337 175.7634 17 E 4.4426 8.8866 118.3548 55.1293 31.7857 177.8615 18 G 3.9053 8.6984 113.8050 44.0806 0.0000 172.2477 19 D 4.3788 8.2887 117.5938 53.9010 41.3893 174.9613 20 P 5.0460 0.0000 0.0000 63.4386 31.5575 176.4072 21 N 4.8052 8.1561 116.1477 54.0564 38.9899 174.9430 22 Q 4.6397 7.8683 116.8612 54.6979 31.5290 175.0509 23 L 4.6598 8.7880 123.5597 54.5296 43.6593 175.5578 24 S 5.0478 8.3330 115.0602 56.1083 67.6546 175.1736 25 K 4.0796 8.7847 121.1200 59.9890 31.7657 178.4959 26 E 3.8972 7.9152 117.9504 59.3869 29.5403 179.0733 27 E 3.9806 8.0996 117.9380 59.4804 29.4970 178.9450 28 L 4.0101 9.0092 121.2743 57.9711 41.9121 178.4797 29 K 4.1916 8.4084 118.9128 59.8997 32.2292 177.8774 30 L 4.2078 7.8688 118.2759 58.2623 41.5934 178.8541 31 L 2.7264 7.8376 119.0634 58.3109 41.8352 178.9362 32 L 3.4847 9.1616 119.8854 57.9091 41.3942 179.5627 33 Q 3.9414 8.0115 119.2366 59.2329 29.1747 177.8073 34 T 4.1355 7.6385 115.0497 66.2413 69.1318 175.5055 35 E 3.6312 8.2819 121.0821 58.8660 29.3883 178.8836 36 F 4.8880 7.3885 122.9450 54.9561 41.2472 172.8334 37 P 4.8685 0.0000 0.0000 64.6983 31.7013 178.3141 38 S 4.1554 8.1573 113.0088 61.1169 62.5128 175.4778 39 L 4.0599 7.7734 121.6378 57.5650 41.5481 178.7519 40 L 4.1992 7.6666 118.3860 57.3865 41.6076 179.0158 41 K 4.2548 7.8869 118.0963 58.0443 32.2876 177.6133 42 G 4.0224 7.1088 106.9908 45.4325 0.0000 173.7794 43 M 4.2476 8.4374 117.4044 56.5357 32.0144 177.3844 44 S 4.6082 7.3438 115.0694 57.0714 62.1307 174.5692 45 T 4.1461 8.0539 116.7812 61.0010 70.2055 174.1236 46 L 4.0310 8.5427 121.5107 58.6525 41.7463 178.1569 47 D 4.6770 8.1711 117.7323 57.8181 40.8030 178.9222 48 E 4.0313 7.8911 118.1266 59.5313 29.4384 179.3662 49 L 3.9599 8.6004 120.8154 57.9858 42.1116 178.6370 50 F 4.5324 9.4307 121.2068 61.6730 39.1584 177.0519 51 E 3.7540 8.8531 117.7032 59.0609 29.3064 178.7032 52 E 4.0305 8.8320 119.6523 59.2536 29.8590 178.4315 53 L 4.3532 8.3913 118.6178 56.9595 42.2425 177.5506 54 D 4.6213 8.1392 123.2570 54.1585 40.1097 176.0295 55 K 4.5003 8.3868 124.0905 56.6085 33.6844 176.2937 56 N 4.5656 8.3378 116.2998 52.5939 39.1044 175.6602 57 G 3.9821 7.7686 105.6270 46.8059 0.0000 171.8266 58 D 4.5331 8.8735 118.3624 56.2376 41.5889 176.7320 59 G 3.9000 7.9191 107.6435 43.3112 0.0000 172.8594 60 E 5.4700 7.8685 119.1404 53.8976 31.7894 177.0964 61 V 5.0416 8.0354 123.6590 60.8741 31.4631 174.9061 62 S 4.5018 7.9035 117.2792 58.5168 64.2158 176.0179 63 F 4.0427 8.9647 122.8843 61.4927 38.2829 176.7888 64 E 3.7884 8.3237 116.7228 59.9280 29.2038 179.2247 65 E 3.9983 8.2112 119.8544 58.3327 29.4749 179.0257 66 F 4.1788 7.6310 118.0863 61.3924 37.8275 176.9560 67 Q 3.8971 7.8817 117.0740 58.0604 28.1100 178.8549 68 V 3.7909 7.8013 120.4447 65.6230 31.5603 177.6512 69 L 3.8307 7.7237 120.0995 57.6392 41.6723 178.7077 70 V 3.4545 6.6779 116.6905 65.4913 31.4608 177.7911 71 K 3.9884 7.5274 119.2940 59.5741 31.7173 179.0461 72 K 3.9603 7.6843 118.1732 59.1766 31.8348 178.8345 73 I 3.1813 7.6016 118.7347 62.7614 36.9917 177.7657 74 S 4.3231 7.3553 115.9134 60.6134 63.2697 173.7975 75 Q 4.0676 7.2910 125.5645 56.2532 28.7781 175.3445 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 K 8.31 4.30 0.00 1.80 1.99 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.50 7.81 2 S 7.72 4.27 0.00 3.98 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 3 P 0.00 4.48 0.00 2.38 2.42 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 4 E 8.29 3.89 0.00 2.04 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 2.38 2.37 0.00 5 E 8.19 4.07 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 2.42 2.42 0.00 6 L 7.59 4.15 0.00 2.06 2.05 1.19 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.30 3.39 0.00 1.47 1.60 0.00 1.44 0.00 0.00 1.32 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.30 1.10 7.81 8 G 7.81 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.24 3.78 2.07 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 1.49 0.82 1.00 0.00 0.00 10 F 8.58 3.86 0.00 2.65 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 11 E 8.75 3.44 0.00 2.34 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 2.34 2.45 0.00 12 K 8.34 4.05 0.00 1.96 1.93 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.45 7.81 13 Y 7.80 4.06 0.00 3.21 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.59 4.72 0.70 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 15 A 8.13 4.07 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 16 K 7.58 3.76 0.00 1.70 1.69 0.00 1.36 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.29 7.81 17 E 8.89 4.44 0.00 1.90 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 2.18 0.00 18 G 8.70 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 0.00 0.00 0.00 19 D 8.29 4.38 0.00 2.70 2.57 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 20 P 0.00 5.05 0.00 2.19 2.11 0.00 3.41 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 21 N 8.16 4.81 0.00 2.98 2.96 0.00 0.00 6.91 7.60 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 22 Q 7.87 4.64 0.00 2.09 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 23 L 8.79 4.66 0.00 1.86 1.75 0.75 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.33 5.05 0.00 3.74 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 25 K 8.78 4.08 0.00 0.79 1.09 0.00 1.46 0.00 0.00 1.08 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.20 0.99 7.81 26 E 7.92 3.90 0.00 2.03 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 2.35 2.43 0.00 27 E 8.10 3.98 0.00 2.22 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 2.41 2.37 0.00 28 L 9.01 4.01 0.00 1.92 1.78 1.19 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.41 4.19 0.00 1.84 2.03 0.00 1.87 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.54 7.81 30 L 7.87 4.21 0.00 2.24 2.02 0.92 0.36 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 31 L 7.84 2.73 0.00 1.27 1.63 0.44 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.16 3.48 0.00 1.77 1.81 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.01 3.94 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 34 T 7.64 4.14 4.37 0.00 0.00 0.00 0.00 0.00 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 35 E 8.28 3.63 0.00 1.54 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 2.55 1.49 0.00 36 F 7.39 4.89 0.00 3.04 2.79 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 37 P 0.00 4.87 0.00 2.30 2.51 0.00 3.96 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 38 S 8.16 4.16 0.00 3.98 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 39 L 7.77 4.06 0.00 1.96 1.67 0.76 0.54 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 40 L 7.67 4.20 0.00 1.92 1.74 0.97 1.00 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 41 K 7.89 4.25 0.00 1.96 1.88 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 42 G 7.11 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 43 M 8.44 4.25 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 44 S 7.34 4.61 0.00 3.90 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 45 T 8.05 4.15 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 1.22 0.00 0.00 46 L 8.54 4.03 0.00 1.79 1.70 0.94 1.07 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 47 D 8.17 4.68 0.00 2.77 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 48 E 7.89 4.03 0.00 2.20 2.03 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 2.35 2.35 0.00 49 L 8.60 3.96 0.00 2.00 1.80 0.97 0.65 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 50 F 9.43 4.53 0.00 3.18 3.28 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 51 E 8.85 3.75 0.00 2.13 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 2.26 2.33 0.00 52 E 8.83 4.03 0.00 1.92 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 0.00 2.31 2.33 0.00 53 L 8.39 4.35 0.00 1.65 1.78 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.14 4.62 0.00 2.46 2.31 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 55 K 8.39 4.50 0.00 1.83 1.81 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.38 7.81 56 N 8.34 4.57 0.00 3.04 2.86 0.00 0.00 7.19 7.65 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 57 G 7.77 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 58 D 8.87 4.53 0.00 2.94 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.92 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.87 5.47 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 2.37 2.22 0.00 61 V 8.04 5.04 2.27 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 1.29 0.00 0.00 1.03 0.00 0.00 62 S 7.90 4.50 0.00 4.07 3.97 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 63 F 8.96 4.04 0.00 2.04 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 64 E 8.32 3.79 0.00 2.21 2.21 0.00 0.00 0.00 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 2.54 0.00 65 E 8.21 4.00 0.00 2.27 2.22 0.00 0.00 0.00 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 2.33 0.00 66 F 7.63 4.18 0.00 3.32 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 67 Q 7.88 3.90 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.52 0.00 0.00 0.00 0.00 0.00 1.70 2.06 0.00 68 V 7.80 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 0.89 0.00 0.00 0.88 0.00 0.00 69 L 7.72 3.83 0.00 1.62 1.30 0.83 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 70 V 6.68 3.45 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 0.77 0.00 0.00 0.84 0.00 0.00 71 K 7.53 3.99 0.00 1.90 1.69 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.41 7.81 72 K 7.68 3.96 0.00 1.84 1.72 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.51 7.81 73 I 7.60 3.18 1.46 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.06 0.11 0.00 0.00 74 S 7.36 4.32 0.00 4.05 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 7.29 4.07 0.00 1.74 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00