NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2712 8.2649 123.5833 51.7089 19.8244 176.5777 3 R 4.1759 8.3078 120.5107 55.8128 30.9820 174.6457 4 K 4.6488 8.4853 117.7170 56.3223 34.1134 177.7137 5 A 4.3475 8.2837 119.5697 53.5243 18.8167 179.0399 6 L 5.7192 7.3659 114.9649 53.1206 42.8550 176.1328 7 I 4.6411 7.3933 116.8377 60.1560 40.4679 177.5147 8 E 3.9639 8.3551 119.2650 59.2067 29.5043 179.3068 9 K 3.8666 8.1044 119.2362 59.0562 32.4073 177.6073 10 A 4.0357 7.6138 120.6342 54.7677 18.3602 178.1648 11 K 4.1925 7.3001 116.0365 57.9018 30.4440 179.1417 12 R 3.2638 7.9485 127.2771 57.1724 29.7428 177.4905 13 T 4.0614 8.4403 108.7274 60.4493 68.4591 172.5755 14 P 4.4879 0.0000 0.0000 62.5746 33.1426 177.1864 15 K 4.0607 8.4076 120.2994 57.3314 31.9276 176.0391 16 F 4.1709 9.3375 109.8657 59.8431 37.1648 177.0876 17 K 4.1001 7.6581 113.8561 58.1723 31.0345 174.2612 18 V 4.5801 8.2660 121.0700 63.4356 38.9512 175.6519 19 R 3.8590 7.9701 116.3832 56.9908 30.2681 176.0845 20 A 4.1549 8.4136 119.8690 52.1119 21.5312 176.2427 21 Y 4.7520 7.1415 121.6822 58.2856 37.9125 178.9563 22 T 3.0134 8.5137 118.1977 61.3137 70.5967 173.9763 23 R 4.2240 7.1482 124.3362 56.2486 30.6647 175.6310 24 C 4.5820 8.2885 118.9233 57.8215 32.4493 173.1529 25 V 3.5922 7.9367 122.0568 63.8070 31.7071 176.5041 26 R 4.6538 7.1539 120.6675 52.8347 29.8058 173.8057 27 C 4.5791 8.1955 118.2600 58.4687 38.0208 172.3667 28 G 3.9486 8.2408 108.0032 45.8623 0.0000 172.6989 29 R 4.6774 7.8124 124.1213 54.7580 31.4443 174.9153 30 A 4.2041 8.3106 123.9834 55.0371 18.8550 178.9664 31 R 4.4708 7.9838 112.7110 56.5155 30.1116 177.1437 32 S 4.6848 8.0384 111.4338 58.0814 64.3952 175.2807 33 V 4.9286 8.1597 113.8115 61.0063 34.5350 174.6120 34 Y 4.4061 8.3677 117.5889 56.6009 40.8428 176.2736 35 R 4.1562 9.3637 124.0523 59.2882 30.7558 178.4071 36 F 3.8445 8.0740 121.5443 60.7457 39.7549 176.4095 37 F 4.5111 8.3449 117.5871 57.2099 40.9339 174.8739 38 G 3.6524 9.7552 108.7216 44.0596 0.0000 172.9989 39 L 4.2954 7.3833 111.5030 54.2509 45.4057 174.7894 40 C 4.6052 8.2247 119.6316 57.8558 30.1313 174.7474 41 R 4.0293 8.5225 115.6928 57.5386 28.4383 177.5969 42 I 4.0021 7.1147 121.0410 63.4774 37.5351 175.7449 43 C 4.8110 7.8244 117.7991 58.8734 30.6320 174.8114 44 L 4.6060 8.1044 121.9764 55.6753 42.8197 178.0641 45 R 3.8888 8.2887 118.4839 59.6363 29.9135 177.6610 46 E 3.8286 8.1575 116.8462 59.3883 29.5628 178.6714 47 L 4.5249 8.9823 122.5145 56.5907 41.5315 178.3949 48 A 3.9508 7.7728 119.9495 56.0211 18.2027 178.6469 49 H 4.3340 7.9915 115.2251 57.2403 29.0790 177.8378 50 K 4.0224 7.2921 121.4954 60.3035 33.2414 176.6634 51 G 4.0788 6.8495 105.7897 46.2272 0.0000 174.0392 52 Q 4.5181 7.8541 112.5583 55.3864 31.2568 175.0236 53 L 4.6409 7.8555 118.7904 53.0222 41.9013 171.5462 54 P 4.3897 0.0000 0.0000 63.1296 30.8000 175.6284 55 G 3.7937 8.4075 118.4587 47.4173 0.0000 173.7112 56 V 4.2410 7.4329 116.5997 60.6365 32.0033 174.9405 57 R 4.2517 7.9577 124.3758 55.1195 31.8494 175.3027 58 K 4.5032 8.3098 116.4971 54.9506 33.9265 175.7944 59 A 4.6967 7.9459 123.5880 50.9674 20.7583 176.8251 60 S 4.8797 8.1327 111.2631 57.6745 65.2971 176.0177 61 W 4.2818 8.8393 123.5133 57.3848 27.1965 174.0496 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 2 A 8.26 4.27 1.28 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 0.00 0.00 0.00 3 R 8.31 4.18 0.00 1.91 1.92 0.00 3.17 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 4 K 8.49 4.65 0.00 1.79 1.72 0.00 1.56 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.42 1.48 7.81 5 A 8.28 4.35 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 6 L 7.37 5.72 0.00 1.58 1.61 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.39 4.64 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 0.76 0.90 0.00 0.00 8 E 8.36 3.96 0.00 2.11 2.23 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 2.38 2.28 0.00 9 K 8.10 3.87 0.00 1.74 1.83 0.00 1.34 0.00 0.00 1.52 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.28 7.81 10 A 7.61 4.04 1.28 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 0.00 0.00 0.00 11 K 7.30 4.19 0.00 1.90 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.42 7.81 12 R 7.95 3.26 0.00 1.87 1.69 0.00 3.21 0.00 0.00 3.25 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 13 T 8.44 4.06 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 14 P 0.00 4.49 0.00 2.26 2.36 0.00 3.84 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.96 0.00 15 K 8.41 4.06 0.00 1.98 1.93 0.00 1.92 0.00 0.00 2.21 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.48 7.81 16 F 9.34 4.17 0.00 2.99 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 17 K 7.66 4.10 0.00 1.96 2.13 0.00 1.58 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.51 7.81 18 V 8.27 4.58 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 0.79 0.00 0.00 1.07 0.00 0.00 19 R 7.97 3.86 0.00 1.86 1.99 0.00 3.36 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 20 A 8.41 4.15 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 21 Y 7.14 4.75 0.00 3.09 3.03 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 0.00 0.00 0.00 22 T 8.51 3.01 4.31 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 1.28 0.00 0.00 23 R 7.15 4.22 0.00 1.92 2.02 0.00 3.39 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.67 0.00 24 C 8.29 4.58 0.00 3.02 2.93 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 25 V 7.94 3.59 2.18 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 0.79 0.00 0.00 0.94 0.00 0.00 26 R 7.15 4.65 0.00 1.75 1.86 0.00 3.28 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 27 C 8.20 4.58 0.00 2.93 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 28 G 8.24 3.95 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 0.00 0.00 0.00 29 R 7.81 4.68 0.00 1.89 1.81 0.00 3.29 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 30 A 8.31 4.20 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.98 4.47 0.00 1.82 1.98 0.00 3.31 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 32 S 8.04 4.68 0.00 3.94 4.03 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 0.00 0.00 0.00 33 V 8.16 4.93 2.20 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 0.95 0.00 0.00 1.09 0.00 0.00 34 Y 8.37 4.41 0.00 3.01 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 R 9.36 4.16 0.00 1.92 1.99 0.00 3.36 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 36 F 8.07 3.84 0.00 2.86 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 37 F 8.34 4.51 0.00 3.06 3.14 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 0.00 0.00 0.00 0.00 38 G 9.76 3.65 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 0.00 0.00 0.00 39 L 7.38 4.30 0.00 1.67 1.59 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.22 4.61 0.00 3.22 3.12 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 0.00 41 R 8.52 4.03 0.00 1.93 2.10 0.00 3.06 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 42 I 7.11 4.00 1.89 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 1.37 0.92 0.92 0.00 0.00 43 C 7.82 4.81 0.00 3.08 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 44 L 8.10 4.61 0.00 1.62 1.85 0.77 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.29 3.89 0.00 2.17 2.03 0.00 3.23 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 46 E 8.16 3.83 0.00 2.23 2.15 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 2.36 2.46 0.00 47 L 8.98 4.52 0.00 1.62 1.88 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 A 7.77 3.95 1.35 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 49 H 7.99 4.33 0.00 3.38 3.42 0.00 5.58 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.29 4.02 0.00 1.92 1.90 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.44 7.81 51 G 6.85 4.08 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 0.00 0.00 0.00 52 Q 7.85 4.52 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 53 L 7.86 4.64 0.00 1.80 1.80 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.39 0.00 2.22 2.21 0.00 3.94 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 55 G 8.41 3.79 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 0.00 0.00 0.00 56 V 7.43 4.24 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 0.81 0.00 0.00 1.09 0.00 0.00 57 R 7.96 4.25 0.00 1.81 1.86 0.00 3.28 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 58 K 8.31 4.50 0.00 1.80 1.73 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.43 7.81 59 A 7.95 4.70 1.22 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 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.13 4.88 0.00 3.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 8.84 4.28 0.00 3.38 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