NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3659 8.3044 120.3461 55.1859 33.3643 174.5929 2 R 3.9634 8.4072 126.8707 55.5016 31.0807 173.0372 3 I 4.6801 9.1410 126.5388 59.8663 41.1138 173.8742 4 T 4.8716 8.7776 123.9692 61.6276 71.7428 173.1530 5 I 4.5546 8.5284 127.2062 59.6658 39.7923 174.2476 6 Y 4.6422 9.0807 126.3787 57.4876 39.2857 174.9227 7 T 4.9280 9.0028 118.5318 60.6785 71.8835 171.8446 8 R 4.9240 8.2070 121.2379 54.7405 33.0359 174.4917 9 N 4.4872 8.8020 121.6661 54.2084 39.3341 174.7697 10 D 4.5003 8.6604 117.5946 55.4845 39.8386 174.3713 11 C 4.7436 7.4088 117.8284 54.2733 44.8322 174.0704 12 V 3.4858 8.2013 128.5920 66.2718 31.3432 177.7889 13 Q 3.9124 8.0339 117.1412 58.7915 28.5617 179.3720 14 C 4.2894 8.0759 117.4642 60.2462 41.3748 175.2884 15 H 3.9920 8.1858 119.6110 59.1365 29.3804 177.0433 16 A 3.7233 8.1045 122.8257 55.3541 18.0193 179.7860 17 T 4.0775 7.8173 114.1054 66.6062 68.4813 176.7939 18 K 3.4839 7.9249 121.4706 59.4521 32.1688 178.6982 19 R 3.9571 8.0244 118.7868 59.4406 29.5691 178.2892 20 A 3.9992 8.2352 120.6107 55.4729 18.4247 179.5876 21 M 3.9138 8.1339 117.2151 58.5233 32.0138 178.8887 22 E 4.1362 8.5449 118.9899 59.4774 29.4115 179.1298 23 N 4.4415 8.3341 115.8105 55.3126 38.5800 176.5554 24 R 4.3468 6.8920 116.0542 54.7052 30.4464 176.2051 25 G 3.9545 7.5927 106.4629 46.6088 0.0000 174.2081 26 F 5.0105 7.9942 117.5732 56.5374 40.0564 175.1759 27 D 4.8667 8.6121 123.7713 52.9946 42.2685 175.7413 28 F 5.2301 7.5633 117.0328 55.7850 41.1368 172.8606 29 E 4.8014 9.2745 117.5496 54.8488 32.4250 174.6977 30 M 5.2246 8.5374 119.8546 53.7222 35.5737 175.3375 31 I 4.4376 8.2416 122.0878 59.3977 41.4765 174.1835 32 N 4.9700 8.7875 127.0028 53.3196 39.1536 175.9757 33 V 3.8372 8.7782 121.0664 63.9921 31.5547 177.7003 34 D 4.5286 8.2026 119.7369 56.6972 41.1044 177.7303 35 R 4.2012 7.9103 116.3860 57.6197 30.8712 176.7901 36 V 4.3976 7.4777 117.3998 59.1502 31.3261 173.6627 37 P 4.3306 0.0000 0.0000 64.8518 31.4661 177.2827 38 E 3.9067 8.2281 117.8182 59.1908 29.4980 178.5914 39 A 3.9368 8.1544 120.6233 54.9013 18.4047 179.3247 40 A 3.9001 7.9748 118.8308 55.4801 18.5066 179.5528 41 E 3.8701 8.5271 117.0931 59.4799 29.3091 179.4729 42 A 3.9885 7.8138 119.6288 55.1717 18.8518 179.3916 43 L 4.1706 8.1965 117.8913 58.0558 41.6932 179.9658 44 R 3.9943 8.3354 118.0087 59.1706 29.7607 178.9146 45 A 4.1148 7.9945 119.4878 54.2932 18.4227 178.5786 46 Q 4.2933 7.6672 114.3116 55.5767 29.1755 176.7039 47 G 3.8161 7.8209 108.8339 45.0067 0.0000 174.2156 48 F 4.3853 7.5753 117.9455 57.6730 39.4243 175.2559 49 R 4.7168 8.6553 120.5972 55.6534 32.1980 174.8737 50 Q 4.6579 7.8239 115.2427 54.8196 31.5747 173.0725 51 L 5.0738 8.1342 118.1512 52.2233 45.0380 174.5029 52 P 4.7292 0.0000 0.0000 62.5449 33.7467 174.6251 53 V 4.4833 8.3408 119.3254 60.8816 34.1733 174.0916 54 V 4.4107 8.0473 127.9477 60.8999 33.8232 174.1185 55 I 4.8957 8.3059 127.9033 59.3769 40.5390 174.7647 56 A 4.7201 8.5871 129.4731 50.4705 21.7551 176.4945 57 G 3.6720 8.8466 113.6264 48.0839 0.0000 174.9903 58 D 4.6053 8.8816 124.3643 54.8022 41.3045 176.0662 59 L 4.6601 8.0003 120.7947 54.0153 42.8463 176.0355 60 S 5.0867 8.6282 116.3390 57.4130 65.5288 173.3825 61 W 5.7100 8.7247 121.5230 55.1521 32.0591 173.4965 62 S 5.1137 8.8978 114.0663 57.5953 65.8051 174.5624 63 G 4.0192 8.8205 108.2458 45.5684 0.0000 172.8965 64 F 4.7541 9.5829 121.6459 57.7282 39.1738 175.5702 65 R 4.1982 8.0460 127.5051 52.3728 30.7792 173.9167 66 P 3.9405 0.0000 0.0000 65.3887 31.2798 177.5098 67 D 4.2432 7.6030 116.3471 56.5982 39.5717 178.0293 68 M 3.6589 7.1537 119.4041 57.5653 31.8432 178.4875 69 I 3.9492 7.4392 120.1083 64.4483 37.4063 178.0251 70 N 4.5610 8.1825 116.7794 55.5186 38.1317 176.6705 71 R 4.3455 7.6645 117.8746 56.9649 30.4305 177.2775 72 L 4.2808 7.5854 118.3056 53.9110 42.3741 176.4698 73 H 4.3755 7.1921 116.2863 54.9435 29.2747 173.6897 74 P 4.3105 0.0000 0.0000 62.4963 31.8524 176.1900 75 A 4.2825 8.2300 123.3757 51.0326 19.2883 175.8757 76 P 4.4397 0.0000 0.0000 62.9784 31.3439 176.8211 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 4.37 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 2 R 8.41 3.96 0.00 1.96 1.77 0.00 3.17 0.00 0.00 3.56 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 3 I 9.14 4.68 2.13 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.90 0.00 0.00 4 T 8.78 4.87 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 0.49 0.00 0.00 5 I 8.53 4.55 1.75 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.67 0.78 0.00 0.00 6 Y 9.08 4.64 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 T 9.00 4.93 4.22 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 0.00 0.00 1.21 0.00 0.00 8 R 8.21 4.92 0.00 1.82 1.73 0.00 3.30 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 9 N 8.80 4.49 0.00 2.80 2.72 0.00 0.00 6.66 8.08 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 10 D 8.66 4.50 0.00 2.78 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 11 C 7.41 4.74 0.00 2.98 3.19 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 12 V 8.20 3.49 2.05 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 1.03 0.00 0.00 0.90 0.00 0.00 13 Q 8.03 3.91 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 14 C 8.08 4.29 0.00 3.15 3.12 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 0.00 0.00 0.00 15 H 8.19 3.99 0.00 3.18 3.38 0.00 5.59 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 8.10 3.72 0.31 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 0.00 0.00 17 T 7.82 4.08 4.45 0.00 0.00 0.00 0.00 0.00 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 18 K 7.92 3.48 0.00 1.74 1.86 0.00 1.73 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.56 1.70 7.81 19 R 8.02 3.96 0.00 1.81 2.04 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 20 A 8.24 4.00 1.57 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 21 M 8.13 3.91 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.73 0.00 22 E 8.54 4.14 0.00 2.19 2.05 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 2.54 2.85 0.00 23 N 8.33 4.44 0.00 2.80 2.84 0.00 0.00 6.96 8.51 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 24 R 6.89 4.35 0.00 0.67 1.09 0.00 3.00 0.00 0.00 2.82 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 25 G 7.59 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 0.00 0.00 0.00 26 F 7.99 5.01 0.00 3.22 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 27 D 8.61 4.87 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 F 7.56 5.23 0.00 3.07 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 29 E 9.27 4.80 0.00 1.97 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 2.31 2.14 0.00 30 M 8.54 5.22 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.68 0.00 31 I 8.24 4.44 1.51 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.62 1.01 0.00 0.00 32 N 8.79 4.97 0.00 2.86 2.72 0.00 0.00 7.18 7.71 0.00 0.00 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 V 8.78 3.84 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 0.80 0.00 0.00 1.01 0.00 0.00 34 D 8.20 4.53 0.00 2.68 2.73 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 35 R 7.91 4.20 0.00 1.94 1.99 0.00 3.15 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 36 V 7.48 4.40 2.14 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 1.04 0.00 0.00 1.00 0.00 0.00 37 P 0.00 4.33 0.00 2.20 2.10 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 38 E 8.23 3.91 0.00 2.04 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 2.38 2.38 0.00 39 A 8.15 3.94 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.97 3.90 1.40 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 0.00 0.00 0.00 41 E 8.53 3.87 0.00 2.14 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 2.33 2.49 0.00 42 A 7.81 3.99 1.31 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 0.00 0.00 43 L 8.20 4.17 0.00 1.75 1.71 0.57 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.34 3.99 0.00 2.01 1.99 0.00 3.13 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 45 A 7.99 4.11 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.67 4.29 0.00 2.28 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.54 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 47 G 7.82 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.58 4.39 0.00 3.17 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 49 R 8.66 4.72 0.00 1.79 1.93 0.00 3.21 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 50 Q 7.82 4.66 0.00 2.23 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 51 L 8.13 5.07 0.00 1.54 1.60 0.94 1.08 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 52 P 0.00 4.73 0.00 2.06 2.19 0.00 3.64 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 2.12 2.03 0.00 53 V 8.34 4.48 1.76 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 -0.23 0.00 0.00 0.29 0.00 0.00 54 V 8.05 4.41 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.58 0.00 0.00 55 I 8.31 4.90 1.94 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 1.24 0.95 0.94 0.00 0.00 56 A 8.59 4.72 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 57 G 8.85 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.88 4.61 0.00 2.72 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 59 L 8.00 4.66 0.00 2.10 2.04 1.07 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.63 5.09 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 61 W 8.72 5.71 0.00 3.44 3.37 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 0.00 62 S 8.90 5.11 0.00 4.13 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 63 G 8.82 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 64 F 9.58 4.75 0.00 2.88 3.08 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 65 R 8.05 4.20 0.00 1.32 1.39 0.00 3.23 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.45 0.00 66 P 0.00 3.94 0.00 1.91 1.91 0.00 3.12 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.01 0.00 67 D 7.60 4.24 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.15 3.66 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 69 I 7.44 3.95 2.02 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 1.87 1.05 1.12 0.00 0.00 70 N 8.18 4.56 0.00 2.86 2.91 0.00 0.00 7.01 7.39 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 71 R 7.66 4.35 0.00 1.87 1.95 0.00 3.05 0.00 0.00 3.08 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 72 L 7.59 4.28 0.00 1.32 1.16 1.14 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.19 4.38 0.00 3.29 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 P 0.00 4.31 0.00 2.20 2.06 0.00 3.98 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 75 A 8.23 4.28 1.26 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 0.00 0.00 0.00 76 P 0.00 4.44 0.00 2.06 1.99 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00