NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2988 8.2649 123.5827 51.8357 20.0327 179.9454 2 K 4.1972 9.1389 117.4750 56.8807 29.9073 174.5203 3 G 4.1472 7.3798 109.5344 43.4770 0.0000 172.2950 4 I 4.2728 8.1156 118.4474 59.0512 35.7781 173.7027 5 R 4.5703 7.3540 128.7786 57.9181 37.7400 174.3659 6 E 4.5103 7.4126 116.7320 54.8567 31.7262 175.3366 7 K 4.5558 8.9212 117.0034 57.6278 33.6206 175.1513 8 I 4.4961 7.7981 114.2053 60.4446 37.1105 178.2009 9 K 4.4842 8.5811 116.1393 54.4658 35.7872 174.9971 10 L 4.5428 8.8906 125.9886 52.8734 42.4837 177.1076 11 V 3.4493 8.4079 126.6897 63.2302 31.4749 176.2253 12 S 3.7223 7.9507 118.2436 57.7265 62.3092 170.3306 13 S 4.1857 7.6264 112.9710 57.9062 64.6653 174.0605 14 A 4.5123 7.9495 126.3342 49.8065 21.1442 176.8902 15 G 3.5791 8.2876 108.7145 45.1856 0.0000 170.8150 16 T 3.1731 8.5614 130.5042 64.5267 66.6460 171.9184 17 G 4.1895 9.7544 125.1420 45.0478 0.0000 171.2142 18 H 4.0095 7.5689 116.1024 56.8043 25.7340 173.3100 19 F 4.6721 7.7251 121.4639 57.2554 42.2474 172.3573 20 Y 4.1975 8.1146 114.6215 55.6512 39.8898 172.0539 21 T 3.1911 8.9588 132.2074 63.6742 68.1080 171.3980 22 T 5.0730 8.0248 115.9313 60.4852 72.0279 172.9773 23 T 4.5563 8.3219 111.7681 61.3141 72.6262 172.1512 24 K 4.7487 8.5231 121.1254 55.3141 34.7736 176.2099 25 N 4.6798 8.2848 121.8173 52.3904 41.1478 172.0246 26 K 4.4902 8.3398 116.9979 56.0957 34.2988 173.3125 27 R 4.5763 7.8736 111.8294 58.1587 34.5314 176.3217 28 T 3.9695 7.8779 116.9808 66.5430 68.9076 175.6719 29 K 4.2231 7.8463 119.1447 54.8831 32.8360 174.3765 30 P 4.1090 0.0000 0.0000 63.3449 31.1516 175.3787 31 E 4.4509 8.6779 123.8919 57.1271 31.8453 175.8487 32 K 4.0490 9.1302 120.4083 56.8651 29.5240 175.0911 33 L 4.5717 6.5901 115.4937 55.3378 43.1044 173.6010 34 E 4.9099 7.9662 118.9879 55.7257 33.8528 176.3852 35 L 5.2381 7.6859 125.4090 55.8892 44.2240 173.0048 36 K 4.6435 8.3598 125.8944 56.1128 32.3758 175.0573 37 K 4.2536 7.6928 119.1064 53.8325 35.4958 173.7089 38 F 3.0315 7.4885 125.1515 57.2143 40.3897 173.7085 39 D 4.4492 6.7695 124.1431 51.8476 42.0256 175.2123 40 P 4.2512 0.0000 0.0000 61.2887 33.3689 175.1104 41 V 4.0884 8.8959 117.1405 66.4019 31.1926 176.6906 42 V 4.4669 7.4735 114.7359 62.8152 35.0875 174.9191 43 R 3.9862 8.4366 119.1142 56.5738 26.6829 175.9407 44 Q 4.4678 8.3339 125.0054 56.0325 32.0059 177.9102 45 H 4.4788 8.6998 120.2695 55.0324 27.1382 179.2246 46 V 3.5674 9.0529 125.2937 61.5724 33.2644 176.7070 47 I 3.0307 8.9691 114.6049 60.9006 39.0570 174.9824 48 Y 3.5636 8.8775 112.1180 58.7771 34.3381 171.0841 49 K 3.8940 8.0096 118.1860 57.8260 33.3712 178.3469 50 E 3.6766 8.1323 119.7709 55.3145 29.0649 173.5307 51 A 4.1177 8.1817 121.2397 52.7174 19.2725 176.8414 52 K 3.6532 8.2598 119.4490 57.0758 28.4981 175.2821 53 I 4.4910 7.4628 122.4012 58.6575 40.0508 175.4522 54 K 4.1378 8.3712 122.1950 56.6215 32.0357 176.2319 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 8.26 4.30 1.07 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 2 K 9.14 4.20 0.00 1.82 1.81 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.56 7.81 3 G 7.38 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.12 4.27 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 1.30 0.63 0.91 0.00 0.00 5 R 7.35 4.57 0.00 1.81 1.86 0.00 3.17 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 6 E 7.41 4.51 0.00 2.02 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 2.29 2.24 0.00 7 K 8.92 4.56 0.00 2.04 1.91 0.00 1.04 0.00 0.00 2.42 0.00 0.00 3.14 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.49 7.81 8 I 7.80 4.50 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 1.41 0.62 0.91 0.00 0.00 9 K 8.58 4.48 0.00 1.69 1.70 0.00 1.59 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.48 7.81 10 L 8.89 4.54 0.00 1.67 1.60 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.41 3.45 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 0.68 0.00 0.00 0.60 0.00 0.00 12 S 7.95 3.72 0.00 4.50 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 13 S 7.63 4.19 0.00 3.58 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.51 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.29 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 3.17 4.23 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 1.20 0.00 0.00 17 G 9.75 4.19 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 0.00 0.00 0.00 18 H 7.57 4.01 0.00 3.38 3.41 0.00 5.69 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.73 4.67 0.00 2.94 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 20 Y 8.11 4.20 0.00 2.68 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.96 3.19 4.12 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 0.71 0.00 0.00 22 T 8.02 5.07 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 1.35 0.00 0.00 23 T 8.32 4.56 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 1.25 0.00 0.00 24 K 8.52 4.75 0.00 1.78 1.86 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.35 1.37 7.81 25 N 8.28 4.68 0.00 2.69 2.34 0.00 0.00 6.30 6.24 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 26 K 8.34 4.49 0.00 1.69 1.61 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.40 7.81 27 R 7.87 4.58 0.00 2.06 1.77 0.00 3.47 0.00 0.00 3.24 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 28 T 7.88 3.97 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 1.21 0.00 0.00 29 K 7.85 4.22 0.00 1.75 1.76 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 30 P 0.00 4.11 0.00 2.04 2.04 0.00 3.72 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 2.04 2.12 0.00 31 E 8.68 4.45 0.00 2.12 1.78 0.00 0.00 0.00 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 2.36 0.00 32 K 9.13 4.05 0.00 1.95 1.90 0.00 1.84 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.41 7.81 33 L 6.59 4.57 0.00 1.83 1.58 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.97 4.91 0.00 2.22 1.98 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 2.09 2.20 0.00 35 L 7.69 5.24 0.00 1.81 1.69 0.94 0.67 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 36 K 8.36 4.64 0.00 1.70 1.58 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.45 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.43 7.81 37 K 7.69 4.25 0.00 1.64 1.59 0.00 2.00 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.33 7.81 38 F 7.49 3.03 0.00 2.86 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 39 D 6.77 4.45 0.00 2.23 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 0.00 0.00 0.00 0.00 40 P 0.00 4.25 0.00 2.31 2.29 0.00 3.44 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.07 0.00 41 V 8.90 4.09 2.24 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 0.90 0.00 0.00 1.24 0.00 0.00 42 V 7.47 4.47 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.98 0.00 0.00 43 R 8.44 3.99 0.00 2.06 1.94 0.00 3.29 0.00 0.00 3.18 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 44 Q 8.33 4.47 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 7.11 0.00 0.00 0.00 0.00 0.00 2.23 2.27 0.00 45 H 8.70 4.48 0.00 3.15 2.79 0.00 5.80 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.05 3.57 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.96 0.00 0.00 47 I 8.97 3.03 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.70 0.95 0.00 0.00 48 Y 8.88 3.56 0.00 3.28 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 49 K 8.01 3.89 0.00 1.86 1.96 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.39 7.81 50 E 8.13 3.68 0.00 2.12 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 2.35 2.52 0.00 51 A 8.18 4.12 1.20 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 0.00 0.00 52 K 8.26 3.65 0.00 2.02 1.80 0.00 1.52 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.45 7.81 53 I 7.46 4.49 1.86 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 1.30 1.06 0.90 0.00 0.00 54 K 8.37 4.14 0.00 1.76 1.68 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.38 7.81