NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4379 8.1627 118.3277 55.1725 33.5659 173.6596 2 Q 4.5291 8.3987 122.6881 53.5769 30.5098 173.1494 3 I 4.7111 9.6200 121.3402 59.1013 42.0861 173.6443 4 F 5.1183 9.1423 120.6925 55.7122 41.8472 174.9001 5 V 4.6148 9.0367 125.2494 61.2696 33.2085 174.0811 6 K 5.0942 9.0672 131.1840 54.9786 34.2406 176.1254 7 T 4.9462 8.6560 118.1646 59.8509 70.7394 175.6743 8 L 4.1998 8.6070 120.9340 56.8066 41.6814 178.1012 9 T 4.2538 7.8727 107.8459 61.2983 69.2398 175.1085 10 G 3.9770 8.1161 111.7138 45.3527 0.0000 173.7267 11 K 3.9818 7.9205 120.9905 57.3278 33.1453 175.5506 12 T 5.2135 8.6032 124.7313 61.7784 70.5519 173.9262 13 I 4.7322 9.0006 120.3304 59.1957 41.0687 174.3904 14 T 4.5988 8.2869 113.6532 60.4429 70.3442 173.6600 15 L 4.6661 8.4933 126.9334 53.1861 45.6024 174.7895 16 E 4.9775 8.7787 125.5725 55.1954 30.2252 175.6423 17 V 4.5603 8.6288 117.6078 59.6739 36.0619 175.2189 18 E 4.5657 8.9777 122.1804 54.1898 31.8872 175.6016 19 P 4.2404 0.0000 0.0000 65.8473 31.4832 178.2873 20 S 4.4976 7.8764 111.2059 58.5295 63.1378 173.7120 21 D 4.4993 8.2702 123.4013 54.2952 41.2700 176.1644 22 T 4.4200 8.2921 120.6093 63.0283 70.7245 175.8974 23 I 3.6792 8.8283 125.7817 64.6040 37.2226 178.5010 24 E 3.9046 8.1903 120.1203 59.4070 29.4637 178.4936 25 N 4.3478 8.0843 116.5786 56.4441 39.0939 176.8941 26 V 3.5758 7.8638 119.9266 65.8725 31.5479 178.0949 27 K 4.5526 8.5353 119.4633 58.9659 31.8095 179.1421 28 A 3.9786 7.7867 120.4913 55.1395 18.1444 179.8713 29 K 3.9146 8.1029 117.0002 59.5105 32.0744 179.7745 30 I 3.7962 7.7761 120.2239 64.4498 36.9519 178.3144 31 Q 4.2193 8.3331 120.5356 58.9944 28.5891 177.5712 32 D 4.3253 8.1210 119.1235 56.5027 41.2584 177.4942 33 K 4.3051 7.4380 116.1799 58.8296 33.6880 178.1826 34 E 4.2104 8.4231 119.1608 58.8537 29.9317 177.3264 35 G 4.0164 8.2184 103.5729 46.1080 0.0000 173.9348 36 I 3.8046 7.6537 121.8638 60.3173 37.6663 174.1814 37 P 4.3495 0.0000 0.0000 62.0734 31.9473 175.7806 38 P 4.2711 0.0000 0.0000 65.5242 31.5366 178.2167 39 D 4.3557 8.1356 116.6559 56.6748 41.4063 176.3207 40 Q 4.5798 8.1966 116.2935 55.6882 30.4895 175.3612 41 Q 4.5315 8.0615 120.6180 54.8875 29.8852 174.8548 42 R 4.3387 8.8119 127.0180 54.4051 31.3302 174.1205 43 L 4.7591 8.2619 126.4295 54.0954 43.1756 175.6947 44 I 4.8337 9.0629 125.7690 59.4064 39.9174 174.5644 45 F 4.9235 9.2084 128.8861 56.5482 42.1766 174.4536 46 A 3.5733 9.5486 128.3936 52.9221 15.8568 177.8897 47 G 3.9487 8.5002 108.0315 46.5459 0.0000 174.4813 48 K 4.5403 7.8446 119.6748 54.7775 33.8661 175.0178 49 Q 4.6709 8.4150 123.6635 55.2686 30.1119 175.0704 50 L 3.9084 8.4641 127.3906 54.1360 42.1311 176.5001 51 E 4.1361 9.4484 126.7992 55.9441 30.4668 177.2517 52 D 4.3674 9.2439 126.7628 57.7128 41.0327 178.4282 53 G 3.8533 8.2795 104.5918 45.8233 0.0000 173.5147 54 R 4.5025 8.1505 120.3343 54.8653 31.7271 175.2834 55 T 5.1742 8.6459 109.3129 58.8219 71.5187 175.0331 56 L 4.1000 7.9139 119.1928 57.4242 41.4043 179.7600 57 S 4.3804 7.8335 115.1305 61.0697 62.4954 176.1047 58 D 4.2702 7.5501 120.7624 57.5411 40.7386 177.7245 59 Y 4.4038 7.8617 112.8337 56.8211 39.4721 174.7112 60 N 4.1059 7.6325 117.2332 54.4533 37.4008 174.0748 61 I 4.1064 8.2979 119.3385 60.2392 38.5616 176.7439 62 Q 4.5171 8.3287 125.4420 53.9591 31.3213 175.2553 63 K 4.1393 8.2360 116.9172 58.2192 33.3340 177.3399 64 E 4.1227 9.1482 118.7593 57.0207 27.8934 174.9546 65 S 4.3861 7.6349 115.8850 59.0943 63.9729 173.4710 66 T 5.0057 8.6877 121.8369 62.6207 69.0825 174.2598 67 L 4.7173 9.2509 127.5328 53.8349 44.4411 175.6170 68 H 5.2280 9.0236 119.5694 54.2854 30.4405 173.6914 69 L 4.8849 9.1576 127.4496 53.7864 43.3269 175.1086 70 V 4.4878 8.7720 127.9945 61.4530 33.3423 174.5141 71 L 4.7908 8.5011 127.9734 54.1008 42.7695 176.7498 72 R 4.3554 8.6767 125.9909 54.7220 29.7384 174.6421 73 L 4.1902 8.2646 125.0395 54.2123 42.0774 178.1495 74 R 4.4593 8.2897 126.6669 54.1166 28.4851 176.8036 75 G 4.2171 7.5782 112.1907 44.1265 0.0000 170.5597 76 C 4.3814 8.0895 123.1084 59.5942 29.1949 174.2590 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 8.16 4.44 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.78 0.00 2 Q 8.40 4.53 0.00 2.12 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 1.88 2.13 0.00 3 I 9.62 4.71 2.02 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 1.28 0.64 0.85 0.00 0.00 4 F 9.14 5.12 0.00 2.92 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 5 V 9.04 4.61 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 0.90 0.00 0.00 0.91 0.00 0.00 6 K 9.07 5.09 0.00 1.84 1.60 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.38 7.81 7 T 8.66 4.95 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 8 L 8.61 4.20 0.00 1.67 1.77 0.93 0.86 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 9 T 7.87 4.25 4.25 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 1.22 0.00 0.00 10 G 8.12 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 11 K 7.92 3.98 0.00 1.86 1.74 0.00 1.69 0.00 0.00 1.92 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.52 1.50 7.81 12 T 8.60 5.21 4.32 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 1.34 0.00 0.00 13 I 9.00 4.73 1.86 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 1.42 1.28 0.97 0.00 0.00 14 T 8.29 4.60 4.04 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 0.87 0.00 0.00 15 L 8.49 4.67 0.00 1.67 1.41 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.78 4.98 0.00 1.83 1.85 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 2.16 2.21 0.00 17 V 8.63 4.56 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 0.67 0.00 0.00 0.87 0.00 0.00 18 E 8.98 4.57 0.00 2.05 1.83 0.00 0.00 0.00 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 2.40 0.00 19 P 0.00 4.24 0.00 2.16 2.10 0.00 3.57 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 2.11 2.11 0.00 20 S 7.88 4.50 0.00 3.85 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.27 4.50 0.00 2.98 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 22 T 8.29 4.42 4.25 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 1.29 0.00 0.00 23 I 8.83 3.68 2.19 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.99 0.96 0.00 0.00 24 E 8.19 3.90 0.00 2.18 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 2.31 2.33 0.00 25 N 8.08 4.35 0.00 2.87 2.88 0.00 0.00 6.83 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 26 V 7.86 3.58 2.25 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 0.94 0.00 0.00 0.92 0.00 0.00 27 K 8.54 4.55 0.00 2.05 1.84 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.60 1.50 7.81 28 A 7.79 3.98 1.36 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 0.00 0.00 0.00 29 K 8.10 3.91 0.00 1.99 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.62 7.81 30 I 7.78 3.80 2.14 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 1.39 0.72 0.91 0.00 0.00 31 Q 8.33 4.22 0.00 2.22 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 32 D 8.12 4.33 0.00 2.77 2.81 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 33 K 7.44 4.31 0.00 1.98 1.89 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.54 7.81 34 E 8.42 4.21 0.00 2.02 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 2.32 2.46 0.00 35 G 8.22 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 36 I 7.65 3.80 1.87 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 1.42 0.58 0.91 0.00 0.00 37 P 0.00 4.35 0.00 2.17 1.98 0.00 3.61 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 38 P 0.00 4.27 0.00 2.17 2.10 0.00 3.60 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 2.11 2.08 0.00 39 D 8.14 4.36 0.00 2.62 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 40 Q 8.20 4.58 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 41 Q 8.06 4.53 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.44 0.00 42 R 8.81 4.34 0.00 1.87 1.99 0.00 3.09 0.00 0.00 3.17 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 43 L 8.26 4.76 0.00 1.61 1.55 0.89 0.75 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 44 I 9.06 4.83 1.91 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 1.28 1.00 0.96 0.00 0.00 45 F 9.21 4.92 0.00 2.89 2.67 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 46 A 9.55 3.57 0.66 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 0.00 0.00 47 G 8.50 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 48 K 7.84 4.54 0.00 2.01 1.92 0.00 1.98 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.38 7.81 49 Q 8.41 4.67 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.03 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 50 L 8.46 3.91 0.00 1.47 1.47 0.75 0.10 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 51 E 9.45 4.14 0.00 2.19 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 2.35 2.35 0.00 52 D 9.24 4.37 0.00 2.84 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 53 G 8.28 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 54 R 8.15 4.50 0.00 2.21 1.97 0.00 3.13 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 55 T 8.65 5.17 4.32 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 1.22 0.00 0.00 56 L 7.91 4.10 0.00 1.95 1.68 0.89 0.92 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 57 S 7.83 4.38 0.00 3.87 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 58 D 7.55 4.27 0.00 2.70 2.34 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 59 Y 7.86 4.40 0.00 2.88 3.30 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 0.00 0.00 0.00 0.00 60 N 7.63 4.11 0.00 2.92 2.96 0.00 0.00 7.07 8.39 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 61 I 8.30 4.11 1.75 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.49 0.58 0.00 0.00 62 Q 8.33 4.52 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 63 K 8.24 4.14 0.00 1.94 1.93 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.49 7.81 64 E 9.15 4.12 0.00 2.22 2.33 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 2.49 2.54 0.00 65 S 7.63 4.39 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.69 5.01 4.25 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 1.23 0.00 0.00 67 L 9.25 4.72 0.00 1.56 1.60 0.84 0.86 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 68 H 9.02 5.23 0.00 3.19 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.16 4.88 0.00 1.72 1.57 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.77 4.49 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 0.98 0.00 0.00 0.94 0.00 0.00 71 L 8.50 4.79 0.00 1.55 1.59 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.68 4.36 0.00 1.80 1.87 0.00 3.26 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 73 L 8.26 4.19 0.00 1.66 1.61 0.96 0.94 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 74 R 8.29 4.46 0.00 1.76 1.85 0.00 3.27 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 75 G 7.58 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 0.00 0.00 0.00 0.00 76 C 8.09 4.38 0.00 2.91 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