NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 A 4.3246 8.2649 123.5815 52.3292 20.9293 178.2462 11 T 3.9813 7.4991 111.9428 62.9273 70.5525 174.1037 12 L 4.1381 8.6244 124.1421 57.6564 42.1768 179.8999 13 G 3.5904 8.0348 105.2467 47.7499 0.0000 175.4894 14 A 4.0670 7.9810 123.0126 55.0751 18.1901 179.7112 15 T 3.7667 7.6505 113.3377 66.8940 68.9798 176.6874 16 L 3.8653 7.6217 120.7248 57.4572 41.4877 179.3625 17 Q 4.2589 8.1433 119.7581 59.3127 28.8899 177.5687 18 D 4.6223 8.0064 117.3628 55.8662 41.2279 177.6383 19 S 4.5410 7.7519 115.1553 57.7451 63.4125 174.0781 20 I 4.0453 6.9758 123.2557 62.9648 37.1777 176.5664 21 G 3.9919 9.5688 114.0403 44.9425 0.0000 173.1056 22 K 4.6995 7.8622 119.0465 54.2488 35.4889 175.3936 23 Q 4.6592 8.5203 123.8361 56.3598 30.3238 175.1838 24 V 4.9568 9.0780 119.0536 59.4858 36.1627 173.9869 25 L 5.0461 9.2746 125.9470 53.6597 44.0412 175.3399 26 V 4.7139 9.1427 125.8435 60.9672 34.8906 174.1828 27 K 4.8909 7.9435 125.9513 54.4958 35.7092 175.1214 28 L 5.1555 8.4340 122.4594 52.2952 45.8062 176.0345 29 R 4.0048 8.3935 119.2852 57.2461 30.8498 176.3882 30 D 4.3622 9.0555 117.3820 55.7006 37.9810 174.3593 31 S 3.7801 8.1902 111.0770 59.8915 60.4508 171.4508 32 H 4.5789 7.5968 115.9855 55.2761 30.1668 174.1473 33 E 4.9464 8.7125 122.5634 54.5114 32.6049 174.3273 34 I 5.1445 8.9870 127.2641 59.6135 41.5391 174.6728 35 R 5.0917 8.5750 123.5405 54.6119 34.2057 174.7271 36 G 4.2640 8.3524 107.6678 45.8780 0.0000 172.3217 37 I 4.6577 8.3594 122.2151 60.0701 38.4899 175.5035 38 L 4.2538 8.8718 130.6389 55.8140 42.2020 177.0695 39 R 4.4458 9.0070 126.3495 57.6812 31.9296 176.7632 40 S 4.8530 7.8593 111.1847 57.2942 66.0310 172.8203 41 F 5.9087 8.2196 117.5587 56.6556 40.7481 172.7076 42 D 4.9568 8.4788 119.4644 51.2289 42.0981 176.1466 43 Q 4.1782 8.5027 115.6802 58.8053 28.8479 176.2959 44 H 4.6910 8.2551 115.3915 55.0894 28.8116 175.4071 45 V 3.2962 7.9767 118.3999 63.8268 30.6364 171.6418 46 N 4.9331 8.4750 114.8499 52.9071 39.6720 174.2412 47 L 5.3482 9.0722 120.9544 52.9435 46.6907 175.1588 48 L 5.1310 8.9209 123.4285 53.3989 44.6993 175.1514 49 L 5.3510 9.0131 126.0211 53.0357 45.4220 175.4563 50 E 5.0126 9.0131 121.0103 54.5294 33.6866 175.2991 51 D 4.5131 8.6995 117.2214 55.3919 38.8439 174.2208 52 A 4.7526 8.3429 119.7100 52.0437 20.2509 177.3129 53 E 5.0940 9.1409 116.4260 55.1936 33.5126 174.0788 54 E 4.9051 9.4125 121.9454 55.4354 31.9361 175.3415 55 I 4.8431 8.5180 124.6938 59.9705 38.6782 175.5391 56 I 4.3382 8.9666 129.4178 60.2171 39.1288 176.0038 57 D 4.4013 9.7840 127.2653 55.4178 38.1533 175.3359 58 G 4.0718 8.3713 106.3180 45.7412 0.0000 173.7957 59 N 4.6564 8.1304 118.2220 52.7541 40.0920 174.3044 60 V 4.6720 8.2000 122.9916 61.7992 33.2118 174.4501 61 Y 4.5023 9.4071 126.2509 55.9240 40.0413 175.2899 62 K 4.5120 8.7130 124.5205 56.5995 32.3703 177.4318 63 R 4.4827 9.4019 122.0526 53.9282 33.0453 176.9543 64 G 4.0351 8.4554 106.3414 45.8028 0.0000 175.3848 65 T 4.7235 8.4014 120.6074 63.0530 69.3546 172.7064 66 M 4.7621 8.9679 124.8679 54.3090 36.1115 173.5970 67 V 4.7579 8.4699 119.2724 59.7949 33.7717 175.2421 68 V 4.3879 8.6750 125.5020 60.9092 34.3205 174.9137 69 R 4.5474 8.6260 127.3848 55.6187 30.8514 177.6908 70 G 4.1066 9.4679 114.8452 47.8902 0.0000 175.8100 71 E 3.9193 8.3167 114.9713 58.5222 29.7746 180.3161 72 N 4.8692 7.9767 113.3005 52.7084 39.1238 174.6604 73 V 3.9515 7.6430 119.7597 62.9812 32.2084 175.5103 74 L 4.5248 8.8657 128.5242 56.6920 42.3031 176.7277 75 F 5.0458 7.2491 111.3996 55.8894 41.4112 172.4682 76 I 5.1547 8.4768 119.6108 59.7383 40.4920 174.9383 77 S 4.6547 9.3433 121.3599 55.7404 65.5681 171.3230 78 P 4.7342 0.0000 0.0000 62.4424 31.9290 176.2664 79 V 3.7298 8.6296 125.5256 61.9996 31.9580 174.2888 80 P 4.4302 0.0000 0.0000 62.9656 31.1634 176.2656 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 10 A 8.26 4.32 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.50 3.98 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 1.28 0.00 0.00 12 L 8.62 4.14 0.00 1.73 1.69 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.03 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.07 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.65 3.77 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 16 L 7.62 3.87 0.00 0.87 0.24 0.34 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.14 4.26 0.00 2.48 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.86 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 18 D 8.01 4.62 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.75 4.54 0.00 3.97 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 20 I 6.98 4.05 2.03 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.92 1.06 0.00 0.00 21 G 9.57 3.99 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 0.00 0.00 0.00 22 K 7.86 4.70 0.00 1.81 1.71 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.45 7.81 23 Q 8.52 4.66 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 24 V 9.08 4.96 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 0.64 0.00 0.00 0.97 0.00 0.00 25 L 9.27 5.05 0.00 1.78 1.78 1.03 0.20 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 26 V 9.14 4.71 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 0.93 0.00 0.00 0.91 0.00 0.00 27 K 7.94 4.89 0.00 0.79 1.32 0.00 1.70 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.13 0.87 7.81 28 L 8.43 5.16 0.00 1.53 1.60 0.85 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.39 4.00 0.00 1.70 1.88 0.00 3.45 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.77 0.00 30 D 9.06 4.36 0.00 2.92 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.19 3.78 0.00 3.94 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 32 H 7.60 4.58 0.00 3.10 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.71 4.95 0.00 1.98 1.75 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 2.26 2.28 0.00 34 I 8.99 5.14 1.84 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 1.22 0.67 0.96 0.00 0.00 35 R 8.57 5.09 0.00 1.73 1.78 0.00 3.19 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 36 G 8.35 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 0.00 0.00 0.00 0.00 37 I 8.36 4.66 1.97 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 1.24 0.98 0.93 0.00 0.00 38 L 8.87 4.25 0.00 1.80 1.76 1.09 0.69 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 39 R 9.01 4.45 0.00 1.85 1.97 0.00 3.40 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.78 0.00 40 S 7.86 4.85 0.00 3.84 3.63 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 0.00 41 F 8.22 5.91 0.00 3.08 2.97 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 42 D 8.48 4.96 0.00 2.80 2.75 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 43 Q 8.50 4.18 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 7.14 0.00 0.00 0.00 0.00 0.00 2.10 2.01 0.00 44 H 8.26 4.69 0.00 3.40 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.98 3.30 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 0.94 0.00 0.00 0.97 0.00 0.00 46 N 8.48 4.93 0.00 3.04 2.75 0.00 0.00 6.80 6.32 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 47 L 9.07 5.35 0.00 1.55 1.55 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.92 5.13 0.00 1.73 1.59 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.01 5.35 0.00 1.60 1.51 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 E 9.01 5.01 0.00 1.87 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 2.21 2.26 0.00 51 D 8.70 4.51 0.00 2.81 2.74 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 52 A 8.34 4.75 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 53 E 9.14 5.09 0.00 2.14 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 2.39 2.33 0.00 54 E 9.41 4.91 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 55 I 8.52 4.84 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 0.95 0.00 0.00 56 I 8.97 4.34 1.92 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.77 0.86 0.00 0.00 57 D 9.78 4.40 0.00 2.85 2.75 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 58 G 8.37 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 59 N 8.13 4.66 0.00 3.05 2.60 0.00 0.00 6.38 8.52 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 60 V 8.20 4.67 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 0.89 0.00 0.00 0.94 0.00 0.00 61 Y 9.41 4.50 0.00 2.91 2.88 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 0.00 0.00 0.00 62 K 8.71 4.51 0.00 1.65 1.76 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 63 R 9.40 4.48 0.00 1.71 1.94 0.00 3.37 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.70 0.00 64 G 8.46 4.04 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 0.00 0.00 0.00 65 T 8.40 4.72 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 1.22 0.00 0.00 66 M 8.97 4.76 0.00 2.05 1.84 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 2.48 2.51 0.00 67 V 8.47 4.76 2.08 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 0.73 0.00 0.00 0.93 0.00 0.00 68 V 8.68 4.39 2.08 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 1.05 0.00 0.00 0.92 0.00 0.00 69 R 8.63 4.55 0.00 1.90 1.84 0.00 3.18 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 70 G 9.47 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.32 3.92 0.00 2.00 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 2.24 1.93 0.00 72 N 7.98 4.87 0.00 2.79 2.81 0.00 0.00 6.61 8.17 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 73 V 7.64 3.95 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.97 0.00 0.00 74 L 8.87 4.52 0.00 1.47 1.76 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.25 5.05 0.00 3.04 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 I 8.48 5.15 1.89 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 1.22 0.68 0.91 0.00 0.00 77 S 9.34 4.65 0.00 3.92 3.81 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 0.00 0.00 0.00 78 P 0.00 4.73 0.00 1.97 1.97 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 79 V 8.63 3.73 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 0.75 0.00 0.00 0.96 0.00 0.00 80 P 0.00 4.43 0.00 2.08 1.95 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00