NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6089 8.2076 120.2929 53.2970 41.9441 177.2118 2 Y 4.1263 7.7723 118.7006 59.0345 38.2741 176.1160 3 L 3.9051 7.4792 121.7469 57.3897 42.2472 180.5305 4 R 3.9024 7.5846 117.6785 59.0883 30.1288 178.4980 5 E 3.9471 8.1429 119.0938 59.1866 29.4624 178.7294 6 L 4.0021 7.7817 118.5829 57.9282 41.6036 179.3227 7 L 3.9577 8.3753 120.5135 57.8406 41.9189 179.0003 8 K 3.9654 8.0652 119.6399 59.5885 32.2731 178.8965 9 L 4.0961 7.8374 118.1443 57.1380 41.4153 178.8224 10 E 4.2569 7.9727 118.3240 58.2643 29.4586 178.6859 11 L 4.0498 7.5491 119.6539 57.5509 41.7319 179.3330 12 Q 3.9762 8.2538 118.1511 58.6829 28.6926 178.3467 13 L 3.7846 7.8760 121.3058 58.2293 42.1563 178.4594 14 I 3.7719 7.9664 118.7664 64.3047 37.7192 177.4086 15 K 3.9190 7.8470 120.0305 59.6573 32.0672 178.6781 16 Q 3.9357 7.9619 118.0697 59.2175 28.6606 178.3106 17 Y 4.2542 7.7842 117.6222 61.3318 37.7417 178.7987 18 R 3.9414 8.0681 117.9896 59.8766 29.9874 178.1663 19 E 4.1547 8.5332 117.6706 58.7845 29.3139 179.3100 20 A 4.0428 8.2293 121.4099 55.3364 18.7355 179.5226 21 L 3.9114 8.1700 117.4613 57.9646 41.4029 179.3720 22 E 4.3067 7.6439 116.8735 58.5569 29.7484 176.9567 23 Y 4.3348 8.3176 120.2647 59.7849 38.4897 176.3241 24 V 3.1756 7.6120 122.9250 63.6792 33.2127 175.6188 25 K 3.7185 7.5096 115.5432 57.3209 28.6336 176.4359 26 L 4.7056 7.2728 118.1532 52.0279 44.9346 176.0068 27 P 4.2507 0.0000 0.0000 65.7916 31.1986 178.6121 28 V 3.5646 7.8682 117.1115 65.1880 30.9611 178.0446 29 L 3.8665 7.6824 119.5025 57.4550 41.3416 179.4959 30 A 4.1561 7.9036 119.9498 54.7569 18.3425 179.8139 31 K 3.8417 7.8107 117.2866 59.7783 32.1596 179.6675 32 I 3.4957 7.7979 120.3486 64.1913 36.8385 177.9475 33 L 3.7081 8.1067 119.9944 57.8622 41.5755 179.1895 34 E 3.8084 7.8532 117.8860 59.7819 29.5429 179.5354 35 D 4.0548 7.7415 118.1477 57.4845 40.8342 178.6603 36 E 3.7827 8.4330 119.1167 59.5594 29.4375 179.4460 37 E 3.8596 8.1069 118.4321 59.2687 29.5206 179.3840 38 K 3.7655 7.5939 119.2412 59.3981 32.0070 178.7029 39 H 4.0012 7.3564 116.6254 58.5340 28.6269 177.6768 40 I 3.8095 7.5354 114.5364 63.4362 37.3837 178.1720 41 E 3.9295 7.9433 120.7566 59.3658 29.2909 179.3585 42 W 4.4263 8.0570 118.8754 59.7738 29.2354 178.7696 43 L 4.1501 8.4286 119.2835 57.7338 40.8349 179.3331 44 E 4.0541 8.1380 117.9376 59.4432 29.6923 179.3185 45 T 4.0690 7.7959 116.1378 66.7822 68.3823 176.8028 46 I 3.7440 7.3961 119.9764 64.2127 37.2114 177.6536 47 L 4.2841 7.6672 116.7450 54.9656 41.8442 177.1209 48 G 4.0125 7.7929 113.2375 45.6036 0.0000 173.3476 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 4.61 0.00 2.98 3.02 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 2 Y 7.77 4.13 0.00 3.38 3.20 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 3 L 7.48 3.91 0.00 1.39 1.56 0.64 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.58 3.90 0.00 1.81 1.95 0.00 3.11 0.00 0.00 3.24 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 5 E 8.14 3.95 0.00 2.13 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 0.00 2.34 2.43 0.00 6 L 7.78 4.00 0.00 2.00 1.74 1.02 0.37 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 7 L 8.38 3.96 0.00 1.81 1.92 0.93 0.37 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 8 K 8.07 3.97 0.00 1.99 2.05 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.48 7.81 9 L 7.84 4.10 0.00 1.77 1.72 0.98 1.10 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 10 E 7.97 4.26 0.00 1.97 2.01 0.00 0.00 0.00 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 2.52 0.00 11 L 7.55 4.05 0.00 2.01 1.74 0.92 0.82 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 12 Q 8.25 3.98 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 13 L 7.88 3.78 0.00 2.07 1.76 0.69 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 14 I 7.97 3.77 2.12 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.42 0.95 0.00 0.00 15 K 7.85 3.92 0.00 2.09 1.83 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.63 7.81 16 Q 7.96 3.94 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 17 Y 7.78 4.25 0.00 3.31 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 18 R 8.07 3.94 0.00 1.91 2.20 0.00 3.33 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 19 E 8.53 4.15 0.00 2.03 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 2.34 2.47 0.00 20 A 8.23 4.04 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 3.91 0.00 1.74 1.77 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.64 4.31 0.00 1.89 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 0.00 2.35 2.48 0.00 23 Y 8.32 4.33 0.00 2.81 3.04 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 0.00 24 V 7.61 3.18 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 0.60 0.00 0.00 0.11 0.00 0.00 25 K 7.51 3.72 0.00 2.02 1.91 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.38 7.81 26 L 7.27 4.71 0.00 1.64 1.51 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.25 0.00 2.13 2.10 0.00 3.60 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 28 V 7.87 3.56 2.06 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 0.95 0.00 0.00 0.91 0.00 0.00 29 L 7.68 3.87 0.00 1.93 1.79 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.90 4.16 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 31 K 7.81 3.84 0.00 1.86 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.58 7.81 32 I 7.80 3.50 1.13 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 1.39 0.73 0.32 0.00 0.00 33 L 8.11 3.71 0.00 1.63 1.62 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.85 3.81 0.00 2.05 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 2.27 2.57 0.00 35 D 7.74 4.05 0.00 2.84 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 3.78 0.00 1.94 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 2.38 2.57 0.00 37 E 8.11 3.86 0.00 2.04 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 2.23 0.00 38 K 7.59 3.77 0.00 1.51 1.53 0.00 1.69 0.00 0.00 1.47 0.00 0.00 2.72 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.30 1.09 7.81 39 H 7.36 4.00 0.00 3.26 3.29 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.54 3.81 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.92 0.00 0.00 41 E 7.94 3.93 0.00 2.06 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 2.33 2.33 0.00 42 W 8.06 4.43 0.00 3.55 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 4.15 0.00 1.72 1.73 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.14 4.05 0.00 2.27 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 2.35 2.41 0.00 45 T 7.80 4.07 4.50 0.00 0.00 0.00 0.00 0.00 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 7.40 3.74 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.77 0.89 0.00 0.00 47 L 7.67 4.28 0.00 1.89 1.69 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.79 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00