NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4488 8.3001 120.3261 54.2837 33.4793 173.6601 2 A 4.0869 9.2369 129.6808 52.7565 25.8500 175.4213 3 E 3.8853 7.7964 113.7554 57.1355 28.2246 173.0396 4 K 5.0808 7.7039 114.2951 55.6774 36.1819 175.3921 5 T 4.7627 8.7898 116.8340 62.3490 73.4761 172.9557 6 V 4.9722 7.9667 122.4065 60.2658 34.2743 174.2935 7 Y 4.7919 8.9988 120.7369 56.1162 41.6895 174.5814 8 R 4.4878 8.8308 123.3104 55.6143 31.4747 175.5882 9 V 4.8909 8.1564 125.0486 60.0348 34.6485 173.9784 10 D 4.3796 9.1456 120.6975 53.8995 44.6473 172.7168 11 G 3.9899 9.3677 113.2387 45.5537 0.0000 174.1806 12 L 4.2608 7.8858 119.0299 55.0319 42.4247 177.4486 13 S 4.9243 8.0935 113.0957 55.4612 62.9927 174.0673 14 C 4.5704 7.6713 120.9243 58.1279 35.3837 172.9656 15 T 3.8926 8.8531 125.3052 67.1309 68.0124 175.7025 16 N 4.3298 8.1310 118.0529 56.9659 38.9750 176.5982 17 C 4.1951 8.0649 117.4177 62.5805 28.2665 175.5040 18 A 3.9750 8.2654 122.4730 55.2951 18.0456 179.5159 19 A 4.0025 8.5293 119.4864 55.0943 18.3836 179.5116 20 K 3.6988 8.3692 118.4845 59.9383 32.1237 178.5163 21 F 4.2930 8.8198 118.3754 60.8789 38.9115 177.3881 22 E 4.1339 9.0384 117.3632 59.6686 29.1675 179.2221 23 R 3.8862 8.0853 119.3056 59.2921 29.9843 177.9865 24 N 4.2715 8.2915 115.4157 56.4700 38.7505 177.2252 25 V 3.7830 8.3314 119.6229 66.1656 31.5200 177.9409 26 K 3.8542 8.2470 117.2230 59.9338 31.9841 178.4780 27 E 4.1122 8.3370 117.9430 58.3854 29.4169 178.1667 28 I 3.9181 7.6855 120.9053 61.1323 37.5470 176.8492 29 E 4.1618 8.8269 124.4904 58.2721 29.8652 178.0215 30 G 3.9451 8.0935 106.4425 47.6130 0.0000 173.8692 31 V 4.8188 7.4300 118.6925 60.7272 33.5137 175.4853 32 T 4.4790 8.6061 117.1915 65.0529 69.9322 174.3752 33 E 4.9821 8.6578 119.4206 54.6656 33.9479 174.4471 34 A 5.0750 8.3166 121.2636 50.9139 22.6709 176.1278 35 I 4.4843 8.9938 121.9930 59.7667 40.7361 174.8685 36 V 4.4552 8.5055 120.5437 59.9742 33.3785 175.1189 37 N 4.5617 9.0261 123.3930 54.9973 39.6546 176.8727 38 F 3.4745 8.3598 115.2391 58.0458 37.4116 172.6283 39 G 4.0100 9.6603 111.0213 45.6126 0.0000 174.2902 40 A 4.7643 7.2580 118.7588 50.0282 21.6663 174.5386 41 S 4.6237 7.3449 128.3228 57.0141 70.0800 178.7165 42 K 4.5507 8.4134 128.7888 56.9413 35.7528 173.1699 43 I 4.4033 8.6971 120.8671 59.4257 40.3586 174.1588 44 T 4.7716 8.9222 127.6479 63.0636 70.0384 174.4108 45 V 4.8238 9.1143 124.9480 61.6598 35.5326 174.3530 46 T 4.6632 9.4206 123.3472 62.6444 72.8740 172.4920 47 G 4.4393 8.1631 120.1322 45.0717 0.0000 173.4538 48 E 4.7105 5.9000 119.0791 54.0008 31.9091 173.3220 49 A 4.6952 7.6930 120.2354 51.3373 22.8789 175.4381 50 S 5.1404 8.1450 113.7638 55.1687 66.6404 175.3670 51 I 3.2040 8.0689 121.0036 65.1221 37.2112 178.1573 52 Q 4.0095 7.5238 119.4168 59.5911 28.7292 179.8427 53 Q 3.9704 7.8159 119.2265 59.1211 28.8306 179.0681 54 V 3.7251 7.7690 118.6853 65.7209 31.0594 177.4274 55 E 3.9013 8.5621 119.5704 59.2987 29.5576 178.1982 56 Q 3.9566 8.1494 119.2250 59.3457 29.0228 178.1243 57 A 4.1131 7.9857 121.5207 55.5038 18.4180 179.8685 58 G 3.1133 8.5788 103.3825 46.9123 0.0000 175.1296 59 A 4.1475 7.7060 122.6320 55.0114 18.2704 178.9821 60 F 4.3359 8.0612 112.7971 59.5028 37.7473 175.9530 61 E 4.3307 7.1286 114.2279 55.0353 31.6946 174.4863 62 H 3.9764 8.2309 114.6809 56.5774 25.6193 174.4700 63 L 4.3248 7.5837 118.5690 54.2298 43.0201 177.1519 64 K 4.5818 8.1968 119.1574 55.4984 34.5622 175.0766 65 I 4.8413 8.4252 125.4285 59.3067 40.1241 175.2683 66 I 4.6734 8.8301 126.3592 58.5447 40.5776 172.8759 67 P 4.7938 0.0000 0.0000 62.4608 31.4967 176.2484 68 E 4.0458 8.7088 123.0936 56.6061 29.9234 176.4184 69 K 4.4205 8.0719 120.3113 55.2888 35.1767 175.3165 70 E 4.3585 8.7556 125.5800 55.5192 30.7240 174.7563 71 A 4.0928 8.3683 127.5484 52.9585 19.1619 176.0858 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 4.45 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 2 A 9.24 4.09 1.21 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 0.00 0.00 0.00 0.00 0.00 3 E 7.80 3.89 0.00 2.20 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 0.00 2.32 2.34 0.00 4 K 7.70 5.08 0.00 1.79 1.72 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.41 7.81 5 T 8.79 4.76 4.19 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 0.44 0.00 0.00 6 V 7.97 4.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.94 0.00 0.00 7 Y 9.00 4.79 0.00 2.77 2.95 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 8 R 8.83 4.49 0.00 1.87 1.76 0.00 3.01 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.53 0.00 9 V 8.16 4.89 1.73 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 -0.12 0.00 0.00 0.92 0.00 0.00 10 D 9.15 4.38 0.00 2.73 2.47 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 11 G 9.37 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 0.00 0.00 0.00 12 L 7.89 4.26 0.00 1.84 1.76 0.62 -0.16 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 13 S 8.09 4.92 0.00 3.96 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 14 C 7.67 4.57 0.00 2.97 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 15 T 8.85 3.89 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 1.25 0.00 0.00 16 N 8.13 4.33 0.00 2.75 2.81 0.00 0.00 7.20 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 17 C 8.06 4.20 0.00 3.16 3.02 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 18 A 8.27 3.97 1.54 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 0.00 0.00 19 A 8.53 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.37 3.70 0.00 1.82 1.94 0.00 1.32 0.00 0.00 1.37 0.00 0.00 2.52 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.36 0.96 7.81 21 F 8.82 4.29 0.00 3.45 3.31 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 22 E 9.04 4.13 0.00 2.30 2.37 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 2.40 2.70 0.00 23 R 8.09 3.89 0.00 2.11 1.96 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 24 N 8.29 4.27 0.00 3.03 2.93 0.00 0.00 7.09 7.27 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 25 V 8.33 3.78 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.20 0.00 0.00 26 K 8.25 3.85 0.00 1.92 1.91 0.00 2.11 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.55 7.81 27 E 8.34 4.11 0.00 2.15 2.04 0.00 0.00 0.00 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 2.50 0.00 28 I 7.69 3.92 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.28 0.99 0.00 0.00 29 E 8.83 4.16 0.00 1.97 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 2.32 2.31 0.00 30 G 8.09 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 31 V 7.43 4.82 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 0.94 0.00 0.00 1.04 0.00 0.00 32 T 8.61 4.48 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 33 E 8.66 4.98 0.00 1.85 1.82 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 2.23 2.24 0.00 34 A 8.32 5.07 1.24 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 0.00 0.00 35 I 8.99 4.48 1.88 0.00 0.00 0.87 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 0.77 0.92 0.00 0.00 36 V 8.51 4.46 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 0.90 0.00 0.00 1.31 0.00 0.00 37 N 9.03 4.56 0.00 2.61 2.85 0.00 0.00 7.08 8.29 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 38 F 8.36 3.47 0.00 3.17 3.17 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 0.00 0.00 0.00 0.00 39 G 9.66 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 0.00 0.00 0.00 40 A 7.26 4.76 1.22 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 0.00 0.00 0.00 41 S 7.34 4.62 0.00 3.95 2.90 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 42 K 8.41 4.55 0.00 1.86 1.78 0.00 1.39 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.36 7.81 43 I 8.70 4.40 1.18 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.54 0.75 0.00 0.00 44 T 8.92 4.77 4.36 0.00 0.00 0.00 0.00 0.00 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 45 V 9.11 4.82 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.98 0.00 0.00 46 T 9.42 4.66 4.38 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 1.28 0.00 0.00 47 G 8.16 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 5.90 4.71 0.00 1.92 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 2.20 2.22 0.00 49 A 7.69 4.70 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.15 5.14 0.00 3.88 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 51 I 8.07 3.20 0.56 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.20 0.75 0.00 0.00 52 Q 7.52 4.01 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 53 Q 7.82 3.97 0.00 2.02 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 54 V 7.77 3.73 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 1.24 0.00 0.00 1.00 0.00 0.00 55 E 8.56 3.90 0.00 2.11 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 2.31 2.30 0.00 56 Q 8.15 3.96 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 57 A 7.99 4.11 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.58 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 0.00 0.00 0.00 59 A 7.71 4.15 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.06 4.34 0.00 2.88 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.13 4.33 0.00 1.42 1.84 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 2.38 2.39 0.00 62 H 8.23 3.98 0.00 3.27 3.39 0.00 5.65 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 63 L 7.58 4.32 0.00 1.82 1.70 1.05 0.93 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 64 K 8.20 4.58 0.00 1.71 1.92 0.00 1.16 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.43 7.81 65 I 8.43 4.84 1.78 0.00 0.00 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 1.29 0.64 0.82 0.00 0.00 66 I 8.83 4.67 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 1.29 0.79 0.93 0.00 0.00 67 P 0.00 4.79 0.00 2.12 2.37 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 68 E 8.71 4.05 0.00 2.04 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 2.28 2.19 0.00 69 K 8.07 4.42 0.00 1.65 1.65 0.00 1.58 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.47 7.81 70 E 8.76 4.36 0.00 1.87 1.77 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 2.16 2.27 0.00 71 A 8.37 4.09 1.24 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 0.00 0.00