NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2277 8.2393 120.8540 56.3665 30.9226 174.6554 6 T 4.0175 8.2041 115.9529 59.8252 70.2244 172.3336 7 A 4.4200 8.7671 127.6391 50.1000 21.9808 177.6631 8 F 4.6503 8.2170 122.2213 57.0724 40.0492 176.2576 9 S 4.5002 9.1189 119.4985 57.8551 64.9912 175.6267 10 S 4.1549 8.6189 118.5458 61.9580 62.6674 176.8935 11 E 4.0530 8.1177 119.2050 58.8484 29.4517 179.1234 12 Q 3.8192 7.6463 119.3855 59.0449 28.8610 178.4047 13 L 3.5685 7.9509 119.5365 57.3975 41.5745 179.6577 14 A 3.9075 7.6673 121.0720 55.1751 18.3126 179.7123 15 R 3.8307 7.7883 117.0488 59.2349 30.0015 178.7592 16 L 3.6031 7.7938 119.2295 57.4915 41.4325 179.5626 17 K 4.1077 7.9336 118.5659 59.4835 31.9381 179.4494 18 R 3.9399 7.9384 118.8641 59.4251 30.0327 178.3842 19 E 4.0419 8.4103 118.5692 59.5292 29.2871 179.1616 20 F 4.1483 8.3892 119.7568 61.3342 39.4414 176.6500 21 N 4.4868 8.1563 115.5690 56.0745 38.3913 176.7941 22 E 4.4339 7.9483 118.8232 57.6640 29.8035 176.4936 23 N 4.4692 7.8450 116.2251 52.7374 40.6998 174.2409 24 R 3.4249 8.3598 122.4488 57.1283 29.7705 175.9904 25 Y 4.8105 7.8807 116.4526 56.2849 40.7885 175.1702 26 L 4.4049 8.4754 124.2642 54.0219 43.3969 176.5949 27 T 4.6472 7.8835 111.3670 59.6708 72.7017 174.8054 28 E 3.8732 8.7296 122.8244 59.7857 29.4002 179.4842 29 R 3.8303 7.8372 117.8006 59.4757 30.3220 178.1378 30 R 3.8342 7.7237 118.1321 59.5809 29.8721 178.3875 31 R 3.8062 8.0330 118.3442 59.3386 30.0211 178.6482 32 Q 3.9644 7.8526 117.4926 58.9320 28.7495 178.4111 33 Q 3.9928 8.2018 119.1730 59.2110 28.8085 179.1593 34 L 3.9801 8.0563 119.7771 57.6447 41.4859 179.5971 35 S 4.1251 7.7735 113.4999 61.5246 62.2407 176.4428 36 S 4.1915 7.9256 115.7111 61.3761 62.7179 175.9190 37 E 4.1207 8.1760 121.5725 58.7486 29.4683 178.3193 38 L 4.3802 8.2190 116.9091 53.8073 42.6136 176.4991 39 G 3.8427 8.4951 107.0963 46.9679 0.0000 173.3041 40 L 4.9322 7.6561 116.3374 52.3824 45.7510 176.5238 41 N 4.7677 9.1832 118.1248 52.6148 39.6187 176.7292 42 E 4.0152 8.8099 120.1000 59.4940 29.4363 179.7050 43 A 4.1001 7.9832 120.6405 55.1576 18.4423 179.5037 44 Q 4.2122 8.0956 116.5329 58.9004 28.7342 179.0524 45 I 3.9158 7.7678 120.7101 64.0093 37.3835 177.8718 46 K 3.9315 8.0823 120.4867 59.9098 32.0718 178.9727 47 I 3.8902 8.0190 119.8303 63.8552 36.9556 178.3563 48 W 4.0373 8.1756 129.6285 60.5060 30.5281 178.1412 49 F 4.0489 8.9184 117.8836 60.5271 38.4503 177.6071 50 Q 4.0688 8.2984 117.7681 59.2969 28.4911 178.8857 51 N 4.2675 8.0667 117.3648 55.8232 38.6221 177.5344 52 K 3.2160 7.3635 121.0709 59.2374 31.8393 179.0439 53 R 3.9930 7.6798 116.8832 59.2691 30.0155 178.6564 54 A 4.0942 7.7502 120.3215 55.0106 17.8691 179.5938 55 K 3.8047 8.1388 118.3715 59.6792 31.9531 179.1213 56 I 3.7849 7.3752 119.0171 64.0564 37.0493 178.2494 57 K 4.1710 7.6843 118.4215 57.8548 33.1563 177.9835 58 K 4.2720 7.5443 119.4362 52.1051 30.6619 176.4168 59 S 4.6230 8.1789 116.1593 58.1082 62.8399 171.6262 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 5 R 8.24 4.23 0.00 1.76 1.90 0.00 3.17 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 6 T 8.20 4.02 3.96 0.00 0.00 0.00 0.00 0.00 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 7 A 8.77 4.42 1.16 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 0.00 0.00 8 F 8.22 4.65 0.00 3.08 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 9 S 9.12 4.50 0.00 4.06 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 10 S 8.62 4.15 0.00 3.89 3.97 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 11 E 8.12 4.05 0.00 2.17 2.19 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 2.35 2.38 0.00 12 Q 7.65 3.82 0.00 2.36 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 13 L 7.95 3.57 0.00 1.69 1.72 1.05 0.67 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 14 A 7.67 3.91 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 R 7.79 3.83 0.00 1.90 1.94 0.00 3.12 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 16 L 7.79 3.60 0.00 0.79 0.13 -0.65 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.93 4.11 0.00 1.93 1.92 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.61 1.71 7.81 18 R 7.94 3.94 0.00 1.91 2.05 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 19 E 8.41 4.04 0.00 2.37 2.25 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 2.50 2.52 0.00 20 F 8.39 4.15 0.00 2.90 3.26 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 21 N 8.16 4.49 0.00 2.97 2.89 0.00 0.00 7.06 6.97 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 22 E 7.95 4.43 0.00 1.95 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 0.00 2.34 2.44 0.00 23 N 7.84 4.47 0.00 2.68 2.74 0.00 0.00 7.23 7.21 0.00 0.00 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 R 8.36 3.42 0.00 1.24 0.73 0.00 2.68 0.00 0.00 3.04 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.35 0.00 25 Y 7.88 4.81 0.00 3.05 2.87 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 26 L 8.48 4.40 0.00 1.46 1.42 0.41 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.88 4.65 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 1.22 0.00 0.00 28 E 8.73 3.87 0.00 2.04 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 2.38 2.39 0.00 29 R 7.84 3.83 0.00 1.91 1.89 0.00 3.24 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.67 0.00 30 R 7.72 3.83 0.00 1.93 2.02 0.00 3.20 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 31 R 8.03 3.81 0.00 1.92 2.05 0.00 3.29 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 32 Q 7.85 3.96 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.55 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 33 Q 8.20 3.99 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.72 0.00 34 L 8.06 3.98 0.00 1.65 1.68 0.93 0.63 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 35 S 7.77 4.13 0.00 3.91 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 36 S 7.93 4.19 0.00 4.08 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 37 E 8.18 4.12 0.00 2.02 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 2.33 2.49 0.00 38 L 8.22 4.38 0.00 1.59 1.68 0.78 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.50 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.66 4.93 0.00 1.63 1.63 0.93 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 41 N 9.18 4.77 0.00 2.78 2.75 0.00 0.00 7.34 7.39 0.00 0.00 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 E 8.81 4.02 0.00 2.02 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 0.00 2.55 2.39 0.00 43 A 7.98 4.10 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.10 4.21 0.00 2.38 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 45 I 7.77 3.92 2.04 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 1.49 0.86 0.91 0.00 0.00 46 K 8.08 3.93 0.00 1.94 2.04 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.62 1.54 7.81 47 I 8.02 3.89 2.02 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.54 0.99 0.00 0.00 48 W 8.18 4.04 0.00 3.51 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.92 4.05 0.00 3.40 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 50 Q 8.30 4.07 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 51 N 8.07 4.27 0.00 2.70 2.64 0.00 0.00 6.71 8.33 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 52 K 7.36 3.22 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.93 0.00 0.00 2.37 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.30 0.21 7.81 53 R 7.68 3.99 0.00 2.00 2.00 0.00 3.01 0.00 0.00 2.65 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.97 0.00 54 A 7.75 4.09 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.14 3.80 0.00 1.66 1.83 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.38 7.81 56 I 7.38 3.78 2.03 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 1.76 1.02 0.93 0.00 0.00 57 K 7.68 4.17 0.00 1.89 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.63 7.81 58 K 7.54 4.27 0.00 1.74 1.75 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.33 7.81 59 S 8.18 4.62 0.00 3.89 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