NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2816 8.1185 123.5991 52.3158 21.0702 178.6603 2 A 3.8595 8.1645 116.9860 54.6044 18.2527 177.7370 3 S 4.1286 8.9747 112.4931 61.7662 62.9751 174.5555 4 E 3.9655 8.2054 120.6771 59.3547 28.8037 179.0965 5 L 3.9978 8.3450 119.5155 57.5332 41.7823 179.5320 6 K 3.9666 8.1873 119.4670 59.7976 32.2373 178.9579 7 Q 4.0588 8.1324 118.3173 58.8762 28.5881 178.5929 8 L 4.1570 8.1078 121.3997 57.8136 41.5414 178.7662 9 E 3.9458 7.8122 118.8705 59.4379 29.4760 178.7034 10 T 3.9019 7.6293 114.1012 66.2348 68.6690 175.5164 11 N 4.6595 8.0286 115.1592 51.9301 40.2554 174.5017 12 N 4.7618 7.3887 116.7186 51.2269 36.8206 174.0440 13 S 4.9033 7.1267 112.3323 58.2783 65.2453 174.9836 14 P 4.3456 0.0000 0.0000 65.3202 31.3894 177.6614 15 S 4.2070 7.6448 114.8206 59.1876 62.8664 174.4778 16 T 4.2528 8.5335 121.1618 64.6484 69.1483 173.9359 17 A 4.4894 7.3224 121.7162 51.0180 21.5885 174.9286 18 L 4.2464 8.3507 117.0026 54.5127 42.9039 177.7111 19 G 3.9395 8.2839 112.9473 45.1273 0.0000 172.4583 20 Q 4.5492 8.0640 119.1152 53.3345 32.0425 174.6183 21 I 3.7978 8.2919 117.5627 61.0486 38.1579 177.2757 22 S 4.2512 8.7365 119.0690 61.1085 63.3151 176.1305 23 E 3.9654 8.4203 119.9919 58.7508 29.2400 177.6805 24 G 4.0953 7.5839 104.6785 44.9287 0.0000 172.5743 25 L 4.7321 7.6530 121.0635 52.9639 44.1551 175.9132 26 T 4.7303 8.4132 121.6767 62.2853 72.0814 173.7077 27 T 4.6919 8.2582 115.6824 61.1238 69.5850 175.7879 28 L 3.9397 8.2998 126.5749 58.7337 42.1355 177.7402 29 S 4.4545 7.8721 110.3494 58.7372 63.8532 173.6971 30 H 4.1060 7.7138 122.5187 56.4783 29.7846 174.2384 31 I 4.3341 7.9253 127.4465 58.4859 38.8187 173.5380 32 P 4.4074 0.0000 0.0000 62.2984 30.7599 176.1272 33 V 4.5262 7.9299 119.3526 59.4028 34.1502 176.3551 34 L 4.1395 8.7555 121.6138 57.5855 41.6236 177.9450 35 G 3.9634 7.3775 107.7134 44.5074 0.0000 172.2975 36 N 4.8741 8.5413 124.4863 52.3275 41.9006 175.0941 37 I 3.6874 8.3337 118.4640 64.3246 37.3103 176.7433 38 F 4.9317 7.7639 116.0228 57.3278 39.3180 176.4791 39 S 4.2555 7.7151 116.4996 60.2490 62.8748 174.2213 40 T 4.3497 7.5581 116.8876 60.5226 68.9929 172.2802 41 P 4.3187 0.0000 0.0000 62.2875 31.8362 177.5870 42 A 4.0587 8.6660 124.6568 54.5637 18.4163 178.4432 43 W 4.4638 7.9820 111.2600 58.2295 28.7683 177.3206 44 I 3.8438 6.5211 121.7531 59.2594 34.8177 174.6947 45 S 4.5718 7.6532 115.8291 57.2188 65.8906 174.7429 46 A 4.7702 8.2961 122.1880 51.6288 19.5310 177.3002 47 K 4.0940 8.1306 118.0936 57.2896 33.9974 177.3418 48 A 3.9154 8.6460 125.7191 55.5896 18.2585 179.8252 49 A 3.9960 8.1137 118.2637 55.6399 18.3692 179.4819 50 D 4.3907 8.0850 116.6758 57.5661 41.0604 178.8611 51 L 4.1951 8.1431 119.3733 57.5591 41.7150 179.4400 52 A 4.1694 8.0795 120.5069 55.3331 18.3506 179.8100 53 K 4.0437 7.9723 117.1472 59.5121 31.8747 179.1568 54 L 3.9664 8.0741 119.8378 58.2324 42.0359 178.3191 55 F 4.3982 8.1890 114.3055 57.4719 38.9147 176.4996 56 G 3.8346 8.2205 107.3382 45.2300 0.0000 174.1051 57 F 4.3657 7.9044 122.9968 57.6582 38.9469 175.3685 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 8.12 4.28 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 2 A 8.16 3.86 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.97 4.13 0.00 4.03 4.20 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 0.00 0.00 0.00 0.00 4 E 8.21 3.97 0.00 2.11 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 1.66 1.87 0.00 5 L 8.34 4.00 0.00 1.84 1.73 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.19 3.97 0.00 2.00 2.04 0.00 1.54 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.55 7.81 7 Q 8.13 4.06 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.45 2.76 0.00 8 L 8.11 4.16 0.00 1.87 1.86 0.93 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 E 7.81 3.95 0.00 2.10 2.07 0.00 0.00 0.00 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 2.35 0.00 10 T 7.63 3.90 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 11 N 8.03 4.66 0.00 2.87 2.85 0.00 0.00 7.35 8.05 0.00 0.00 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 N 7.39 4.76 0.00 2.92 2.88 0.00 0.00 6.75 7.52 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 13 S 7.13 4.90 0.00 3.87 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 14 P 0.00 4.35 0.00 2.06 2.06 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 15 S 7.64 4.21 0.00 3.82 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 16 T 8.53 4.25 4.28 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 1.25 0.00 0.00 17 A 7.32 4.49 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 18 L 8.35 4.25 0.00 1.60 1.57 0.92 0.97 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 19 G 8.28 3.94 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 0.00 0.00 0.00 20 Q 8.06 4.55 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.84 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 21 I 8.29 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 1.47 0.65 0.91 0.00 0.00 22 S 8.74 4.25 0.00 4.02 4.17 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 23 E 8.42 3.97 0.00 1.96 2.07 0.00 0.00 0.00 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 2.38 0.00 24 G 7.58 4.10 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 0.00 0.00 0.00 25 L 7.65 4.73 0.00 1.57 1.52 0.92 1.17 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 26 T 8.41 4.73 4.24 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 1.22 0.00 0.00 27 T 8.26 4.69 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 1.19 0.00 0.00 28 L 8.30 3.94 0.00 1.61 1.75 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.87 4.45 0.00 4.02 3.97 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 0.00 0.00 0.00 30 H 7.71 4.11 0.00 3.05 3.46 0.00 5.89 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.93 4.33 1.82 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 1.44 0.97 0.88 0.00 0.00 32 P 0.00 4.41 0.00 2.18 2.06 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 33 V 7.93 4.53 2.07 0.00 0.00 0.00 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 34 L 8.76 4.14 0.00 1.66 1.80 0.92 0.90 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 35 G 7.38 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 36 N 8.54 4.87 0.00 2.74 2.70 0.00 0.00 6.60 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 8.33 3.69 1.21 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 1.23 0.30 0.32 0.00 0.00 38 F 7.76 4.93 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.72 4.26 0.00 4.07 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 40 T 7.56 4.35 4.18 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 1.08 0.00 0.00 41 P 0.00 4.32 0.00 2.07 2.27 0.00 3.57 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.94 0.00 42 A 8.67 4.06 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 43 W 7.98 4.46 0.00 3.53 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.52 3.84 1.43 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.64 0.00 0.00 45 S 7.65 4.57 0.00 3.92 3.76 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 46 A 8.30 4.77 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.13 4.09 0.00 2.02 1.77 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.52 7.81 48 A 8.65 3.92 1.32 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 0.00 0.00 0.00 49 A 8.11 4.00 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 50 D 8.08 4.39 0.00 2.92 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 51 L 8.14 4.20 0.00 1.94 1.91 1.05 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.08 4.17 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 53 K 7.97 4.04 0.00 2.00 1.94 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.65 7.81 54 L 8.07 3.97 0.00 1.80 2.08 0.85 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.19 4.40 0.00 3.32 3.19 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 0.00 56 G 8.22 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.90 4.37 0.00 3.31 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