NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.4571 8.4449 120.2300 56.6276 31.5796 175.3946 2 C 4.7395 8.4295 125.6110 56.3143 38.4129 171.1873 3 V 4.2474 9.4316 133.6077 61.5054 33.0021 172.7491 4 P 4.6885 0.0000 0.0000 61.9613 32.7260 175.4093 5 E 3.6160 7.7680 120.9630 57.6058 29.5361 176.2393 6 N 3.9835 8.0467 120.1807 53.2248 37.6663 174.4074 7 G 3.7369 7.5392 107.2161 46.5092 0.0000 172.8559 8 H 5.5849 8.9489 121.8725 54.8554 29.2662 173.2603 9 C 5.2972 8.0285 120.8761 55.9004 43.3809 173.5423 10 R 4.3992 7.8785 111.9832 56.4237 34.5509 174.9150 11 D 4.7581 8.9303 127.5846 52.5335 40.5685 174.4814 12 W 4.5433 7.4240 123.4262 57.6529 37.1861 174.5991 13 Y 4.6279 7.6360 110.0626 59.2504 39.4079 175.8313 14 D 4.6717 8.0758 123.3950 53.1796 41.1792 175.0977 15 E 4.6336 8.6009 126.5921 55.2691 30.7909 176.2570 16 C 5.0386 8.7306 127.0186 55.7540 41.2543 173.5779 17 C 4.6580 8.9123 120.8891 57.0029 41.5086 173.3392 18 E 4.5026 9.0345 119.3158 57.3440 28.2437 175.8408 19 G 4.1349 7.4483 124.8677 46.1609 0.0000 171.1162 20 F 5.1446 7.2185 119.1348 55.6092 42.5161 174.6727 21 Y 4.4437 8.7571 122.4888 56.6366 39.7515 174.4408 22 C 4.4947 8.8984 122.6097 56.3341 38.4005 172.5211 23 S 4.4162 8.8463 122.0120 58.0277 62.4616 171.9346 24 C 4.9051 8.6214 126.0570 54.6594 39.6993 174.1205 25 R 3.9932 8.5072 122.7352 58.5724 30.1033 177.5159 26 Q 4.3006 7.7525 122.3282 53.5521 30.3121 171.8240 27 P 4.5348 0.0000 0.0000 62.4972 31.7604 175.1714 28 P 4.5759 0.0000 0.0000 63.2238 31.8141 176.2728 29 K 4.1852 7.9546 120.7032 57.0106 33.3913 175.0868 30 C 5.3814 8.4939 121.9557 55.9545 47.1158 171.7522 31 I 5.0757 8.2585 114.6200 59.7311 41.2127 172.9541 32 C 4.9562 8.5473 120.0596 56.6795 38.4228 173.2599 33 R 4.5389 8.3404 122.8100 54.2566 33.0456 173.6775 34 N 5.0559 8.8881 125.7992 53.5541 39.9640 173.9091 35 N 4.8966 8.9810 123.6941 52.6077 38.1343 174.7789 36 N 4.6286 8.8191 119.8781 53.2230 39.1732 174.3970 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 E 8.44 4.46 0.00 1.99 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 2.23 2.30 0.00 2 C 8.43 4.74 0.00 3.03 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 3 V 9.43 4.25 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 0.98 0.00 0.00 1.02 0.00 0.00 4 P 0.00 4.69 0.00 2.07 2.06 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 5 E 7.77 3.62 0.00 1.16 1.12 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 1.93 1.87 0.00 6 N 8.05 3.98 0.00 2.86 2.82 0.00 0.00 6.81 6.64 0.00 0.00 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 G 7.54 3.74 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 0.00 0.00 0.00 8 H 8.95 5.58 0.00 3.04 3.29 0.00 5.89 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.03 5.30 0.00 3.15 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 10 R 7.88 4.40 0.00 2.13 2.07 0.00 3.60 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 11 D 8.93 4.76 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.42 4.54 0.00 2.67 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 0.00 0.00 0.00 13 Y 7.64 4.63 0.00 3.06 2.94 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 0.00 0.00 0.00 14 D 8.08 4.67 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.60 4.63 0.00 2.09 1.86 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 2.37 2.32 0.00 16 C 8.73 5.04 0.00 3.07 3.13 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 0.00 0.00 0.00 0.00 17 C 8.91 4.66 0.00 3.08 2.99 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 18 E 9.03 4.50 0.00 2.05 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 2.23 2.26 0.00 19 G 7.45 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 7.22 5.14 0.00 2.77 2.85 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 21 Y 8.76 4.44 0.00 3.06 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 22 C 8.90 4.49 0.00 3.06 3.13 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 0.00 0.00 0.00 0.00 23 S 8.85 4.42 0.00 3.72 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.62 4.91 0.00 3.07 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 25 R 8.51 3.99 0.00 1.83 2.03 0.00 3.19 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 26 Q 7.75 4.30 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.21 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 27 P 0.00 4.53 0.00 2.14 2.12 0.00 3.80 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 28 P 0.00 4.58 0.00 2.21 2.20 0.00 3.77 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 1.98 1.95 0.00 29 K 7.95 4.19 0.00 1.97 2.01 0.00 1.35 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.44 7.81 30 C 8.49 5.38 0.00 3.06 3.10 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 0.00 0.00 0.00 31 I 8.26 5.08 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.38 0.81 0.00 0.00 32 C 8.55 4.96 0.00 2.82 2.86 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 33 R 8.34 4.54 0.00 1.64 1.32 0.00 3.01 0.00 0.00 2.99 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.59 0.00 34 N 8.89 5.06 0.00 3.00 2.80 0.00 0.00 7.52 7.83 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 35 N 8.98 4.90 0.00 2.94 3.06 0.00 0.00 6.09 8.04 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 36 N 8.82 4.63 0.00 2.73 2.75 0.00 0.00 7.05 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00