NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.5040 8.2616 121.1853 56.1523 34.4970 177.2674 3 L 3.9545 7.9134 120.2738 57.3781 42.2619 176.2628 4 S 4.0573 8.9205 113.8586 61.9628 62.6853 175.3221 5 E 3.9671 8.3509 120.3144 59.5457 29.0975 179.8013 6 V 3.6749 7.9231 118.5604 65.7931 31.5733 177.9744 7 R 3.9145 7.8052 115.7266 59.6257 29.0913 178.9345 8 K 3.9536 7.9728 119.1694 58.8399 31.9939 178.8489 9 Q 4.0092 8.8842 120.7663 59.2718 28.6808 178.3050 10 L 4.1532 7.9753 120.1661 57.1615 41.6931 178.6555 11 E 3.9119 8.3971 118.6639 60.6883 29.6252 178.9734 12 E 3.9615 8.2363 117.4693 58.3726 29.1202 178.3409 13 A 4.1825 8.0426 119.2123 55.6280 18.6371 180.9747 14 R 4.4238 8.2376 116.3670 54.9096 31.5591 177.4434 15 K 4.6378 8.6984 112.5301 56.5458 34.2251 174.5529 16 L 4.4491 7.6872 116.9793 54.5639 46.2268 176.8059 17 S 4.1872 8.1544 112.5519 57.2925 62.6744 168.8159 18 P 4.2542 0.0000 0.0000 65.7318 30.9074 178.5633 19 V 3.5384 7.6664 117.9229 65.9198 31.4326 177.5806 20 E 3.9260 8.1457 118.2569 59.1565 29.4008 178.3317 21 L 3.9589 7.6230 119.0029 58.4462 41.8076 178.7535 22 E 3.8834 8.5665 118.1212 59.5675 29.1786 179.4567 23 K 3.8324 7.7523 118.8196 59.7883 32.5959 178.2358 24 L 4.2105 7.9897 120.1165 58.5164 41.8394 178.9817 25 V 3.5483 8.0038 117.8012 66.5587 31.2955 178.0277 26 R 3.7073 7.8488 117.2752 59.5320 29.7123 177.7576 27 E 4.4293 8.0470 115.0666 56.6679 29.4314 177.5527 28 K 4.4005 8.7509 121.1041 57.7835 33.4077 178.1813 29 K 3.8662 8.0637 118.2040 60.0549 31.8494 178.3589 30 R 3.7901 7.7472 118.5011 59.3532 29.6688 177.6486 31 E 3.9641 8.0685 118.6294 59.4323 29.9395 178.3396 32 L 4.0860 9.6127 119.7104 58.5428 41.9694 178.6285 33 M 4.0845 9.1033 118.2029 58.5868 32.0161 178.9716 34 E 4.3550 8.5808 117.2269 56.5177 29.8862 177.1880 35 L 4.6953 8.7776 118.7426 55.4833 44.9616 178.5748 36 R 4.1514 8.1855 117.6100 59.3588 30.1134 179.4632 37 F 4.4276 8.3846 112.8878 57.6788 37.8389 175.8437 38 Q 4.5614 7.9191 118.3167 56.0147 32.9263 177.1481 39 A 4.1031 8.7052 122.2058 54.9430 18.5518 179.8701 40 S 4.1551 8.0241 109.4204 60.4796 63.2146 174.9373 41 I 4.1009 7.7050 112.5012 59.7778 39.2188 177.6673 42 G 3.5475 8.2993 111.1386 46.9763 0.0000 173.8201 43 Q 3.3364 8.8433 123.3767 56.3440 28.0101 174.8986 44 L 4.5587 7.5985 110.3711 52.6256 44.7320 174.6116 45 S 4.6054 7.7492 109.8885 57.7439 65.3002 174.3578 46 Q 4.3499 8.0043 125.4610 54.8429 30.1614 179.2386 47 N 3.3936 8.8908 116.4012 52.5191 40.5828 177.1627 48 H 4.0383 8.7998 122.7093 58.9524 30.0417 176.4690 49 K 3.6545 7.9372 120.3766 59.4056 31.7588 179.0223 50 I 3.7079 8.8350 120.7487 64.3908 36.9598 178.6402 51 R 3.9026 7.9410 114.6842 58.5601 29.3916 177.9574 52 D 4.4488 7.9180 120.4907 57.3295 41.1038 177.6774 53 L 3.8584 8.3308 120.4752 59.1222 41.9831 180.5706 54 K 4.6530 7.6808 117.0589 58.7226 31.9799 178.5810 55 R 3.8887 7.9088 117.7069 59.4851 30.3497 178.6116 56 Q 3.9232 8.0114 117.7584 59.3721 28.8006 179.7497 57 I 3.6069 8.5243 120.4947 64.3246 37.1249 177.8081 58 A 3.9718 7.7985 121.4030 55.6043 18.0766 179.4041 59 R 3.8488 8.6884 116.1474 60.1586 30.1307 178.7248 60 L 3.8970 7.9187 117.2417 58.7192 41.7056 179.7571 61 L 3.5295 8.1908 118.1739 58.0780 41.6173 180.1116 62 T 3.8418 8.0641 116.0640 66.7297 68.2675 176.9006 63 V 3.7404 8.3053 119.3714 65.8153 31.7988 177.2368 64 L 4.0230 8.7875 121.3322 58.3317 41.8865 178.2165 65 N 4.2379 8.2858 116.7912 56.9850 38.6772 176.4176 66 E 3.9934 8.0623 117.1434 59.5866 29.7272 179.1491 67 K 4.1974 8.1095 119.2109 58.6225 33.2216 177.4118 68 R 4.5945 7.5290 119.2031 54.4949 28.3706 175.2771 69 R 4.7963 7.6096 115.7991 56.7091 37.3927 176.0985 70 Q 4.6124 7.8507 112.4768 55.8573 29.2684 175.3158 71 N 4.8245 8.3128 114.5170 53.9383 40.3409 174.6552 72 A 4.1649 7.6324 125.6345 52.5115 19.1621 175.7686 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 2 K 8.26 4.50 0.00 1.72 1.91 0.00 1.58 0.00 0.00 2.35 0.00 0.00 3.22 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.46 7.81 3 L 7.91 3.95 0.00 1.84 1.63 0.92 0.56 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 4 S 8.92 4.06 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 5 E 8.35 3.97 0.00 2.20 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 2.41 2.40 0.00 6 V 7.92 3.67 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 1.05 0.00 0.00 0.99 0.00 0.00 7 R 7.81 3.91 0.00 2.11 2.19 0.00 2.83 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.64 0.00 8 K 7.97 3.95 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.49 7.81 9 Q 8.88 4.01 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 10 L 7.98 4.15 0.00 2.02 1.65 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.40 3.91 0.00 1.91 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 2.36 2.63 0.00 12 E 8.24 3.96 0.00 2.14 1.89 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 2.34 2.32 0.00 13 A 8.04 4.18 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 14 R 8.24 4.42 0.00 1.78 1.97 0.00 3.38 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 15 K 8.70 4.64 0.00 1.81 1.77 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.27 7.81 16 L 7.69 4.45 0.00 1.59 1.66 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.15 4.19 0.00 4.03 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.25 0.00 2.30 2.28 0.00 3.76 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 2.01 0.00 19 V 7.67 3.54 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 0.98 0.00 0.00 0.93 0.00 0.00 20 E 8.15 3.93 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 21 L 7.62 3.96 0.00 1.88 1.71 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.57 3.88 0.00 2.13 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 2.34 2.38 0.00 23 K 7.75 3.83 0.00 1.85 1.91 0.00 1.73 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.49 7.81 24 L 7.99 4.21 0.00 1.80 1.98 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.00 3.55 2.26 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 0.97 0.00 0.00 0.97 0.00 0.00 26 R 7.85 3.71 0.00 2.18 1.99 0.00 3.16 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 27 E 8.05 4.43 0.00 2.09 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 2.33 2.52 0.00 28 K 8.75 4.40 0.00 1.66 1.79 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.57 7.81 29 K 8.06 3.87 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.77 1.47 7.81 30 R 7.75 3.79 0.00 1.79 1.86 0.00 3.09 0.00 0.00 3.06 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 31 E 8.07 3.96 0.00 2.03 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 2.39 0.00 32 L 9.61 4.09 0.00 1.97 1.81 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 33 M 9.10 4.08 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.44 0.00 34 E 8.58 4.36 0.00 1.96 1.90 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 2.29 2.38 0.00 35 L 8.78 4.70 0.00 1.83 1.66 0.95 0.87 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 36 R 8.19 4.15 0.00 2.09 2.03 0.00 3.17 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 37 F 8.38 4.43 0.00 3.10 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 38 Q 7.92 4.56 0.00 2.27 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 39 A 8.71 4.10 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.02 4.16 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.71 4.10 1.87 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 1.49 0.66 0.91 0.00 0.00 42 G 8.30 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.84 3.34 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 7.54 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 44 L 7.60 4.56 0.00 1.90 1.58 0.93 0.56 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 45 S 7.75 4.61 0.00 3.96 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.35 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 5.90 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 47 N 8.89 3.39 0.00 2.83 2.90 0.00 0.00 6.75 8.16 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 48 H 8.80 4.04 0.00 3.36 3.51 0.00 5.49 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.94 3.65 0.00 2.04 1.92 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.53 7.81 50 I 8.84 3.71 1.90 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 1.60 1.08 0.93 0.00 0.00 51 R 7.94 3.90 0.00 1.97 2.08 0.00 3.05 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 52 D 7.92 4.45 0.00 2.97 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 53 L 8.33 3.86 0.00 1.72 1.65 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.68 4.65 0.00 1.94 1.78 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.73 7.81 55 R 7.91 3.89 0.00 1.96 1.96 0.00 3.28 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 56 Q 8.01 3.92 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.43 0.00 57 I 8.52 3.61 2.11 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 1.74 1.41 0.91 0.00 0.00 58 A 7.80 3.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.69 3.85 0.00 1.92 2.01 0.00 3.17 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 1.66 1.70 0.00 60 L 7.92 3.90 0.00 1.92 1.70 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.19 3.53 0.00 1.72 1.73 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.06 3.84 4.43 0.00 0.00 0.00 0.00 0.00 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 63 V 8.31 3.74 2.20 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 0.79 0.00 0.00 0.93 0.00 0.00 64 L 8.79 4.02 0.00 1.80 1.84 0.92 0.50 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 65 N 8.29 4.24 0.00 3.15 2.82 0.00 0.00 7.07 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 66 E 8.06 3.99 0.00 2.16 2.09 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 2.49 2.37 0.00 67 K 8.11 4.20 0.00 2.09 1.89 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.57 1.62 7.81 68 R 7.53 4.59 0.00 1.82 1.89 0.00 3.17 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 69 R 7.61 4.80 0.00 1.85 1.90 0.00 3.15 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.85 0.00 70 Q 7.85 4.61 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 71 N 8.31 4.82 0.00 2.86 2.87 0.00 0.00 6.83 7.35 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 72 A 7.63 4.16 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00