NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3474 8.2649 123.5856 52.2186 19.7707 176.4517 2 L 4.5739 8.2725 119.2042 52.2979 43.2451 171.9416 3 V 3.8295 7.7172 119.9214 61.2035 33.2173 176.4160 4 D 4.3834 8.7428 120.9437 57.4829 40.9283 178.1333 5 E 3.9468 8.2997 119.5476 59.1347 29.4707 178.8606 6 V 3.5568 7.8049 118.2447 65.7819 31.6063 177.6599 7 K 4.0265 8.1376 118.8133 59.8484 31.9604 177.8506 8 D 4.2803 8.1296 118.0280 57.4772 41.1007 177.8817 9 M 3.9181 8.1304 118.6242 58.8266 32.0793 178.1508 10 E 3.7713 7.8267 117.2296 59.1738 29.8833 179.1833 11 I 3.6477 7.6936 119.9604 64.1370 37.0384 178.2256 12 A 3.9939 8.1281 121.7879 55.1469 17.9165 179.7625 13 R 3.7285 7.8493 116.6738 59.2919 30.0169 179.1170 14 L 4.3040 7.6909 119.6626 57.6248 41.4636 179.2639 15 M 4.0836 8.0049 116.1132 58.7847 32.2136 177.9276 16 S 4.2924 7.7502 114.5810 61.4977 63.0554 176.2453 17 L 4.5084 7.7224 120.8734 54.9124 41.9205 177.1630 18 G 3.9123 9.1907 106.4486 46.3884 0.0000 172.0483 19 L 4.6858 7.5799 124.2419 52.7629 46.2922 176.5847 20 S 4.4931 8.2372 114.3235 58.7911 65.0370 173.4799 21 I 3.9820 8.6116 123.8651 62.6670 37.2313 177.2039 22 E 3.9282 9.2604 127.6536 59.9771 30.2988 176.0573 23 E 3.9247 8.2143 118.5859 59.2105 29.6375 178.1979 24 A 4.0015 8.1060 120.5550 55.4620 18.4697 179.3951 25 T 4.0773 7.9412 107.9500 65.2799 68.8383 176.1881 26 E 3.9256 8.0022 122.0715 58.7124 29.4978 179.1457 27 F 3.9722 8.5236 120.5974 61.5090 39.5136 176.0378 28 Y 4.0484 8.2942 119.2855 61.2956 38.2770 178.4290 29 E 3.5867 6.9754 118.3918 58.5496 29.5247 178.7955 30 N 4.3813 7.8514 115.5814 55.5967 38.6900 176.6592 31 D 4.3892 8.0321 119.9184 52.9208 41.2943 178.2285 32 V 4.7299 6.6884 118.2245 62.3392 32.2739 172.2159 33 T 4.6076 8.5371 104.6436 62.3187 70.1581 172.7261 34 Y 4.6574 7.1218 130.2127 57.0141 42.5698 174.4176 35 E 3.2623 7.7192 119.1752 59.3021 30.0036 179.4374 36 R 3.8939 7.7919 117.9080 59.2423 30.0390 178.4957 37 Y 4.1650 7.7114 117.2027 59.7401 38.1652 177.3204 38 L 3.6973 6.6549 122.2028 57.9289 41.8793 178.6562 39 E 3.8445 7.7485 118.4405 59.3705 29.5294 178.9254 40 I 3.7756 7.5524 119.8951 64.3908 36.9825 178.4639 41 L 4.1285 8.2901 119.2318 57.7082 41.5502 179.1989 42 K 4.0937 8.1654 118.8527 59.3243 32.0995 178.8933 43 S 4.2753 7.6382 115.0741 61.7187 63.1922 175.8316 44 K 4.2272 7.8658 118.6775 56.4948 35.3220 176.5620 45 Q 3.3153 8.5851 113.9209 57.2220 25.6152 174.0656 46 K 4.0693 7.7188 116.9716 56.8862 33.4208 177.5009 47 E 4.1302 8.7312 119.2353 57.1473 29.6442 174.9043 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 A 8.26 4.35 1.28 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 0.00 0.00 2 L 8.27 4.57 0.00 1.67 1.66 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.72 3.83 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 0.84 0.00 0.00 0.96 0.00 0.00 4 D 8.74 4.38 0.00 2.82 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 5 E 8.30 3.95 0.00 2.04 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 2.38 2.32 0.00 6 V 7.80 3.56 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 1.10 0.00 0.00 1.01 0.00 0.00 7 K 8.14 4.03 0.00 1.94 1.96 0.00 1.84 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.79 1.69 7.81 8 D 8.13 4.28 0.00 2.77 2.76 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 0.00 0.00 0.00 0.00 9 M 8.13 3.92 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.50 0.00 10 E 7.83 3.77 0.00 1.46 1.27 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 0.00 2.41 2.62 0.00 11 I 7.69 3.65 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.06 0.90 0.00 0.00 12 A 8.13 3.99 1.30 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 0.00 0.00 13 R 7.85 3.73 0.00 1.74 1.77 0.00 2.90 0.00 0.00 2.99 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.81 0.00 14 L 7.69 4.30 0.00 1.84 1.74 0.96 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 15 M 8.00 4.08 0.00 2.00 2.09 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 2.58 2.64 0.00 16 S 7.75 4.29 0.00 4.05 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 17 L 7.72 4.51 0.00 1.94 1.87 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 G 9.19 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 L 7.58 4.69 0.00 1.58 1.51 0.90 0.89 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 20 S 8.24 4.49 0.00 3.91 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 21 I 8.61 3.98 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 1.52 0.77 0.91 0.00 0.00 22 E 9.26 3.93 0.00 2.04 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 2.39 2.39 0.00 23 E 8.21 3.92 0.00 2.11 1.91 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 2.35 2.44 0.00 24 A 8.11 4.00 1.35 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 0.00 0.00 0.00 25 T 7.94 4.08 4.41 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 1.35 0.00 0.00 26 E 8.00 3.93 0.00 2.09 2.10 0.00 0.00 0.00 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 2.37 0.00 27 F 8.52 3.97 0.00 3.19 3.16 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 0.00 0.00 0.00 0.00 28 Y 8.29 4.05 0.00 2.91 3.21 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 29 E 6.98 3.59 0.00 1.67 1.70 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 1.47 2.00 0.00 30 N 7.85 4.38 0.00 2.67 2.67 0.00 0.00 7.21 7.33 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 31 D 8.03 4.39 0.00 2.48 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 32 V 6.69 4.73 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 0.84 0.00 0.00 0.97 0.00 0.00 33 T 8.54 4.61 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 34 Y 7.12 4.66 0.00 3.10 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 35 E 7.72 3.26 0.00 1.95 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 2.28 2.54 0.00 36 R 7.79 3.89 0.00 1.81 1.98 0.00 3.28 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 1.69 1.62 0.00 37 Y 7.71 4.17 0.00 3.21 3.24 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 38 L 6.65 3.70 0.00 0.73 1.22 0.60 0.48 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 39 E 7.75 3.84 0.00 2.16 1.88 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 2.27 2.30 0.00 40 I 7.55 3.78 2.06 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 1.53 0.50 0.96 0.00 0.00 41 L 8.29 4.13 0.00 1.90 1.87 1.15 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.17 4.09 0.00 1.94 1.83 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.48 7.81 43 S 7.64 4.28 0.00 4.08 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 44 K 7.87 4.23 0.00 1.95 1.85 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.52 7.81 45 Q 8.59 3.32 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.01 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 46 K 7.72 4.07 0.00 1.75 1.75 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 47 E 8.73 4.13 0.00 2.07 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 2.23 2.23 0.00