NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6559 8.2076 120.5275 54.6462 43.1530 177.2927 2 Y 4.1482 8.2253 117.5279 60.0856 37.6357 177.0018 3 L 3.7365 7.7978 121.5142 57.2628 42.0556 180.6972 4 R 3.9476 7.6074 117.8144 59.1745 29.9010 178.6788 5 E 3.9954 8.5486 118.0142 59.0449 29.6150 179.0913 6 L 4.1431 7.7185 119.3120 57.6460 41.7500 178.8162 7 L 3.9322 7.6645 120.1014 58.5908 41.9776 179.3843 8 K 4.0262 8.2431 117.8010 59.2015 31.8015 179.3951 9 L 4.0527 8.0415 119.8668 57.7709 41.5791 179.0477 10 E 4.1059 8.3149 118.1566 58.5932 29.4309 178.9600 11 L 3.9827 7.8474 120.5449 58.0997 42.2231 178.5679 12 Q 3.9508 8.0613 119.0035 58.9728 29.0122 177.9255 13 A 4.0946 8.2516 122.3839 55.1502 18.3331 179.6873 14 I 4.0083 8.5748 112.0109 63.8579 37.6722 178.2169 15 K 3.8510 8.6258 120.6858 59.9305 31.9462 179.0933 16 Q 3.9879 8.6188 118.1418 59.2220 28.5419 178.6599 17 Y 3.9677 8.5936 118.2007 60.7876 37.6706 178.0907 18 R 4.0132 7.6456 118.8075 59.5312 30.3353 177.5679 19 E 4.0101 8.1103 118.5682 59.5867 29.5415 178.8339 20 A 4.1955 8.6134 120.7124 55.1474 18.5578 179.5093 21 L 4.1709 8.8942 118.5734 57.4682 41.4324 178.9919 22 E 4.0735 8.2389 118.9988 58.8450 29.5939 177.7762 23 Y 4.5305 7.5480 114.8963 59.2405 38.0937 175.9464 24 V 4.1345 6.8923 114.2738 60.9986 33.5399 174.4608 25 K 4.3613 8.5746 129.9743 55.8579 31.3289 178.1219 26 L 4.1853 7.8112 119.7348 53.9732 42.5812 176.8690 27 P 4.3267 0.0000 0.0000 65.9529 31.2087 178.9768 28 V 3.6398 7.5149 116.4431 64.7686 31.1849 178.4995 29 L 4.0260 7.9740 119.0622 57.3130 41.4371 178.9079 30 A 4.0015 8.0655 120.2891 55.2304 18.3008 179.5255 31 K 3.8070 7.6871 117.9236 59.5991 32.2320 179.1202 32 I 3.4207 8.1027 120.4560 63.9861 36.7652 177.7664 33 L 3.6625 9.2610 120.9314 58.4889 41.7829 179.2128 34 E 4.0456 8.3001 118.0957 59.0990 29.2640 179.0439 35 D 4.0782 7.6418 119.1288 57.3177 40.5860 178.3050 36 E 3.8414 7.9749 117.6768 57.9600 29.3753 178.7058 37 E 4.0614 7.5016 119.4376 58.6249 29.7938 178.5379 38 K 3.6229 7.7659 119.5876 58.9997 32.0368 178.7841 39 H 4.1319 7.7386 116.9597 58.7421 28.6561 177.5078 40 I 3.7166 7.3426 119.1337 63.8843 37.7656 177.4788 41 E 4.0177 7.9254 120.3421 58.4550 29.4111 178.7912 42 W 4.3709 8.0235 119.3765 59.8371 29.1465 178.1446 43 L 4.0521 8.3114 118.9633 58.0493 40.6167 179.4721 44 E 3.8958 8.6663 119.3187 59.4613 29.3850 178.5510 45 T 4.0164 7.6342 114.7932 67.2669 68.7110 176.0585 46 I 3.9767 7.5947 119.3304 63.7128 37.2690 177.9848 47 L 4.3099 8.5004 120.3983 56.8756 41.7561 177.0771 48 G 3.7437 9.2018 112.2193 45.7281 0.0000 173.1515 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 D 8.21 4.66 0.00 2.80 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.23 4.15 0.00 3.33 3.18 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 3 L 7.80 3.74 0.00 1.36 1.53 0.73 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.61 3.95 0.00 1.94 1.96 0.00 3.12 0.00 0.00 3.32 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 5 E 8.55 4.00 0.00 2.07 2.05 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 0.00 2.49 2.54 0.00 6 L 7.72 4.14 0.00 1.81 1.74 1.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.66 3.93 0.00 1.78 1.83 0.93 0.62 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 8 K 8.24 4.03 0.00 1.94 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.78 7.81 9 L 8.04 4.05 0.00 1.99 1.75 0.96 0.84 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 10 E 8.31 4.11 0.00 2.02 2.02 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 2.53 2.51 0.00 11 L 7.85 3.98 0.00 1.76 1.79 0.92 0.71 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 12 Q 8.06 3.95 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 13 A 8.25 4.09 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.57 4.01 1.88 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 1.67 0.88 1.03 0.00 0.00 15 K 8.63 3.85 0.00 1.94 1.92 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.65 7.81 16 Q 8.62 3.99 0.00 1.89 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 17 Y 8.59 3.97 0.00 3.03 2.98 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 18 R 7.65 4.01 0.00 1.75 2.12 0.00 3.32 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 19 E 8.11 4.01 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 2.29 0.00 20 A 8.61 4.20 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.89 4.17 0.00 1.88 1.75 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.24 4.07 0.00 1.85 1.77 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 2.19 2.29 0.00 23 Y 7.55 4.53 0.00 3.03 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.89 4.13 2.16 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 0.70 0.00 0.00 0.97 0.00 0.00 25 K 8.57 4.36 0.00 1.78 1.87 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.41 7.81 26 L 7.81 4.19 0.00 1.74 1.62 0.95 1.05 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 27 P 0.00 4.33 0.00 2.15 2.14 0.00 3.60 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 28 V 7.51 3.64 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 0.87 0.00 0.00 0.93 0.00 0.00 29 L 7.97 4.03 0.00 1.81 2.01 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.07 4.00 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 31 K 7.69 3.81 0.00 1.87 1.91 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 32 I 8.10 3.42 1.38 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 1.24 0.31 -0.59 0.00 0.00 33 L 9.26 3.66 0.00 1.79 1.79 0.91 0.98 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 34 E 8.30 4.05 0.00 1.89 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 2.25 2.42 0.00 35 D 7.64 4.08 0.00 2.74 2.38 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 36 E 7.97 3.84 0.00 1.99 1.93 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 2.20 2.43 0.00 37 E 7.50 4.06 0.00 2.00 1.87 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 2.24 2.38 0.00 38 K 7.77 3.62 0.00 1.42 1.57 0.00 1.41 0.00 0.00 1.35 0.00 0.00 2.64 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.30 0.21 7.81 39 H 7.74 4.13 0.00 3.15 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.34 3.72 1.86 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 1.40 1.61 0.93 0.00 0.00 41 E 7.93 4.02 0.00 1.97 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 2.35 2.35 0.00 42 W 8.02 4.37 0.00 3.62 3.06 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 0.00 0.00 0.00 43 L 8.31 4.05 0.00 1.73 1.76 0.97 0.79 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 44 E 8.67 3.90 0.00 2.08 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 2.32 2.41 0.00 45 T 7.63 4.02 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 46 I 7.59 3.98 1.87 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 1.49 0.33 0.88 0.00 0.00 47 L 8.50 4.31 0.00 1.72 1.70 0.87 -0.10 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 48 G 9.20 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