NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2161 8.1233 122.4568 51.8318 20.9581 176.0181 2 D 4.3496 8.4763 119.5996 53.1827 39.3857 175.8451 3 C 4.4727 9.0834 123.3386 59.5278 39.4791 174.2392 4 A 4.5032 7.3665 119.0536 50.7914 22.2520 175.0915 5 K 4.7878 8.4142 124.1353 54.6541 34.6651 175.5402 6 G 3.8778 7.9078 113.7821 45.8085 0.0000 172.0455 7 K 4.7356 7.8065 119.0541 55.7871 34.2413 176.2698 8 I 4.5127 8.1132 122.5631 60.8750 36.8595 176.2143 9 E 4.3983 8.9253 127.2413 58.7126 30.4304 176.9771 10 F 5.2686 7.5887 113.2371 55.2449 41.5747 173.5354 11 S 5.1969 8.8162 113.4857 56.8589 66.6691 173.2104 12 K 4.4476 8.4486 121.8438 55.1293 35.6261 174.2569 13 Y 4.6582 8.7573 129.4731 57.6067 39.3325 174.3852 14 N 4.7978 8.8569 124.9268 51.6831 40.4116 175.8891 15 E 3.8807 9.0132 122.4781 59.5834 29.6459 177.5284 16 D 4.6657 7.9304 115.3939 53.1396 39.5068 175.8464 17 D 4.1949 8.1265 117.3024 55.8227 38.7952 173.6740 18 T 4.7401 7.4343 109.3811 60.1739 72.2316 172.9192 19 F 5.1728 8.8934 122.7756 56.9388 42.6666 173.2184 20 T 5.3195 8.7897 123.1275 62.0550 71.2586 173.9728 21 V 4.7174 9.0507 118.3260 59.3763 35.8585 174.4844 22 K 4.5926 8.0867 126.4838 55.1232 33.5188 175.3950 23 V 4.7318 8.2446 126.9300 60.3884 34.9328 174.8782 24 D 4.3786 9.6980 126.9910 55.4934 39.5046 173.5601 25 G 3.9527 8.3685 100.8280 45.9370 0.0000 173.4344 26 K 4.4506 7.9570 118.9208 53.9690 35.5934 175.6887 27 E 4.5760 8.5652 125.1238 56.5831 30.8049 175.6324 28 Y 5.2807 9.4470 120.9306 56.0775 42.9298 174.0925 29 W 6.2949 8.6581 117.0248 54.4589 32.6599 173.7058 30 T 4.6093 8.6304 113.2086 60.8212 70.1183 173.8429 31 S 4.8092 8.6416 119.8621 58.1048 63.9657 175.1232 32 R 4.1590 8.1144 121.7509 56.1952 28.3215 177.4630 33 W 4.4492 8.5114 132.3559 60.4819 31.3710 177.8502 34 N 4.4430 8.2511 114.0601 55.1902 38.4199 176.9245 35 L 4.1658 7.9361 120.7890 57.3543 41.7181 178.8250 36 Q 3.2283 7.6364 118.4701 58.2132 28.5964 176.9154 37 P 4.1496 0.0000 0.0000 65.9110 31.0521 178.3997 38 L 3.8600 7.6539 118.3342 57.5891 41.5261 179.2184 39 L 4.2617 7.9479 119.0635 57.7999 41.5620 179.3134 40 L 4.1749 7.9104 119.9896 57.9956 42.0235 179.2562 41 S 4.0689 8.1732 115.1614 61.4333 62.6809 176.0083 42 A 4.0801 8.2516 123.8105 55.5618 18.0831 179.2504 43 Q 3.9417 8.5135 117.8313 59.6507 28.9930 178.5447 44 L 4.1541 8.0997 119.0585 57.0403 41.6209 178.2170 45 T 4.4975 7.6668 107.1759 60.6590 68.8604 174.0363 46 G 4.1414 8.1296 107.9668 47.0712 0.0000 174.1054 47 M 4.3099 7.5572 117.6319 55.2897 32.9865 176.6058 48 T 4.3570 8.3571 119.5634 63.5846 69.9617 174.0765 49 V 4.6454 8.8892 120.1339 59.8251 34.8401 174.8315 50 T 4.8215 7.9676 120.3242 61.9394 70.8526 173.4837 51 I 3.9930 8.3813 128.6183 59.8439 38.5605 174.8643 52 K 4.9931 7.9145 126.7041 54.6860 33.8126 175.7781 53 S 4.4129 8.8358 118.4677 57.3704 65.4228 174.2779 54 S 4.1488 9.0301 119.0949 60.8095 62.4568 173.9090 55 T 4.5783 7.6671 108.8872 60.1708 70.1137 174.6874 56 C 4.9240 8.6709 122.0225 56.2641 40.7596 173.9497 57 E 4.1049 7.9985 118.7344 55.8296 29.6114 176.0484 58 S 3.6732 8.4444 115.1895 61.3722 62.2060 173.6292 59 G 3.9257 7.6454 115.4719 45.4232 0.0000 173.3655 60 S 4.6971 7.9591 116.5683 57.6865 64.7530 173.6333 61 G 2.6916 8.1983 108.1633 45.4630 0.0000 173.0033 62 F 5.1095 7.6976 115.0392 55.5480 40.9270 174.2331 63 A 4.4569 8.7178 118.5648 51.2566 21.3596 175.4814 64 E 4.9534 7.9680 117.3689 54.2458 32.7929 175.1492 65 V 4.5449 8.0578 122.8428 60.9325 34.2141 172.3484 66 Q 4.3316 8.6845 126.9894 55.1165 30.8933 174.2556 67 F 4.9395 8.7834 123.8160 56.0981 40.4675 174.6339 68 N 4.9125 8.8404 121.4803 51.5377 41.3502 175.4199 69 N 4.3802 9.1230 119.1246 54.4496 39.4119 175.1951 70 D 4.7135 8.0068 122.2250 54.9772 41.1903 173.7899 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 8.12 4.22 1.24 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 0.00 0.00 0.00 2 D 8.48 4.35 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.08 4.47 0.00 2.42 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.37 4.50 1.12 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 0.00 0.00 5 K 8.41 4.79 0.00 1.60 1.62 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.24 1.30 7.81 6 G 7.91 3.88 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 0.00 0.00 0.00 7 K 7.81 4.74 0.00 1.70 1.76 0.00 1.74 0.00 0.00 2.02 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.42 7.81 8 I 8.11 4.51 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.49 0.95 0.00 0.00 9 E 8.93 4.40 0.00 2.06 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 2.38 2.28 0.00 10 F 7.59 5.27 0.00 3.11 3.16 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 0.00 0.00 0.00 0.00 11 S 8.82 5.20 0.00 3.70 3.98 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 12 K 8.45 4.45 0.00 1.89 1.67 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.40 7.81 13 Y 8.76 4.66 0.00 3.30 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 14 N 8.86 4.80 0.00 2.70 2.61 0.00 0.00 6.15 7.68 0.00 0.00 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 E 9.01 3.88 0.00 1.93 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 2.33 2.38 0.00 16 D 7.93 4.67 0.00 2.73 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 17 D 8.13 4.19 0.00 2.92 2.99 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 18 T 7.43 4.74 4.45 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 1.22 0.00 0.00 19 F 8.89 5.17 0.00 3.15 2.99 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 20 T 8.79 5.32 4.30 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 1.41 0.00 0.00 21 V 9.05 4.72 2.07 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 0.85 0.00 0.00 1.10 0.00 0.00 22 K 8.09 4.59 0.00 0.79 0.97 0.00 1.81 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.23 1.19 7.81 23 V 8.24 4.73 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 1.10 0.00 0.00 0.84 0.00 0.00 24 D 9.70 4.38 0.00 2.75 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.37 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 26 K 7.96 4.45 0.00 1.89 1.30 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.54 7.81 27 E 8.57 4.58 0.00 1.87 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 2.31 2.35 0.00 28 Y 9.45 5.28 0.00 2.68 2.90 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 0.00 0.00 0.00 29 W 8.66 6.29 0.00 3.53 3.24 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 0.00 30 T 8.63 4.61 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 31 S 8.64 4.81 0.00 4.14 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 0.00 32 R 8.11 4.16 0.00 1.83 1.97 0.00 3.34 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 33 W 8.51 4.45 0.00 3.33 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.25 4.44 0.00 2.82 2.89 0.00 0.00 6.92 7.85 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 35 L 7.94 4.17 0.00 1.94 1.71 0.89 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 36 Q 7.64 3.23 0.00 1.84 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 1.93 2.30 0.00 37 P 0.00 4.15 0.00 2.13 2.17 0.00 3.58 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.86 0.00 38 L 7.65 3.86 0.00 1.88 1.51 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.95 4.26 0.00 1.94 2.04 1.34 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.91 4.17 0.00 1.95 1.69 1.19 0.85 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 41 S 8.17 4.07 0.00 4.04 3.86 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 0.00 0.00 0.00 42 A 8.25 4.08 1.63 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 0.00 0.00 43 Q 8.51 3.94 0.00 2.22 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 44 L 8.10 4.15 0.00 1.92 1.77 0.94 1.18 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 45 T 7.67 4.50 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 1.27 0.00 0.00 46 G 8.13 4.14 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 0.00 0.00 0.00 47 M 7.56 4.31 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.77 0.00 48 T 8.36 4.36 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 1.21 0.00 0.00 49 V 8.89 4.65 1.74 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 0.63 0.00 0.00 0.78 0.00 0.00 50 T 7.97 4.82 4.09 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 1.08 0.00 0.00 51 I 8.38 3.99 1.02 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.45 -0.40 0.00 0.00 52 K 7.91 4.99 0.00 1.70 1.62 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.24 1.21 7.81 53 S 8.84 4.41 0.00 3.68 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 9.03 4.15 0.00 3.86 3.86 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 0.00 0.00 0.00 55 T 7.67 4.58 4.27 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 56 C 8.67 4.92 0.00 2.99 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 57 E 8.00 4.10 0.00 2.12 2.11 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 2.39 2.27 0.00 58 S 8.44 3.67 0.00 3.71 3.77 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 0.00 0.00 0.00 59 G 7.65 3.93 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 0.00 0.00 0.00 60 S 7.96 4.70 0.00 4.04 3.86 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 0.00 0.00 0.00 61 G 8.20 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.70 5.11 0.00 2.82 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.72 4.46 1.18 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 0.00 0.00 64 E 7.97 4.95 0.00 2.04 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 2.24 2.27 0.00 65 V 8.06 4.54 1.92 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 0.76 0.00 0.00 0.42 0.00 0.00 66 Q 8.68 4.33 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 67 F 8.78 4.94 0.00 2.98 3.01 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 68 N 8.84 4.91 0.00 2.69 2.69 0.00 0.00 6.62 6.52 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 69 N 9.12 4.38 0.00 2.73 2.83 0.00 0.00 7.16 8.06 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 70 D 8.01 4.71 0.00 2.76 2.59 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