NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.3015 8.1844 122.4903 54.9382 41.5861 175.4879 2 E 4.5847 8.3205 126.7273 54.4649 33.3374 173.1307 3 C 5.2820 9.4768 122.8803 55.5820 44.7907 171.8814 4 H 5.4037 8.6146 116.6476 54.3824 30.6982 173.9747 5 N 5.7261 9.2048 119.8295 51.2787 42.3573 173.6702 6 Q 4.8547 8.2435 121.5002 55.4670 30.9346 173.9329 7 Q 3.8749 8.9566 124.6388 56.9679 29.0719 176.6412 8 S 3.8014 8.8857 109.1781 59.6996 60.8366 171.6381 9 S 3.7676 7.7723 123.6705 59.2331 61.9846 170.4449 10 Q 4.4541 7.9850 122.3973 56.5940 29.1648 178.4211 11 T 4.4962 9.0810 120.2859 61.6730 70.4225 172.2540 12 P 4.5347 0.0000 0.0000 62.8105 32.4278 175.5004 13 T 4.8541 9.2082 120.0920 61.7615 72.3786 172.5402 14 T 5.0506 8.3608 111.5184 60.3963 71.2783 173.7478 15 T 4.5177 9.0668 114.6185 60.0539 72.0936 172.7985 16 G 4.0595 8.7781 114.2269 44.8362 0.0000 173.6607 17 C 4.7661 8.7283 124.3857 56.4980 39.8816 175.3216 18 S 4.6590 8.0874 119.0438 56.7699 64.5589 174.8808 19 G 4.2300 7.1867 105.0813 44.8673 0.0000 172.6681 20 G 5.0507 8.1448 123.1205 46.8958 0.0000 173.8012 21 E 4.4123 7.6709 118.4990 56.1088 30.3249 176.2320 22 T 4.7703 8.0517 110.2511 60.8946 69.4354 172.9772 23 N 5.1027 8.0119 116.9461 53.4998 43.7330 174.1102 24 C 5.4990 8.5786 116.8234 55.7307 44.2213 172.7087 25 Y 5.2424 8.0798 117.6816 55.9606 41.0383 173.7698 26 K 4.5323 9.1394 120.4759 54.7438 35.5584 174.9753 27 K 5.0127 8.7451 126.0744 54.7794 36.1546 175.1834 28 R 4.4014 8.2343 122.2744 55.1897 34.1945 173.6033 29 W 5.3642 8.5927 120.8724 55.9981 32.2353 173.2340 30 R 5.0158 8.5844 114.9279 53.7868 29.9780 173.7871 31 D 4.6814 8.4032 121.3335 53.0356 45.3028 175.5405 32 H 4.1781 8.4357 113.9691 58.3091 30.5544 174.5787 33 R 4.3377 9.8169 117.4271 59.1499 32.1046 175.5684 34 G 3.5515 7.4682 104.1359 45.2845 0.0000 172.8684 35 Y 4.9376 7.4697 118.4602 56.8520 41.5071 174.4802 36 R 4.9175 9.4689 124.7012 54.8851 34.9422 174.4472 37 T 4.9679 8.6121 113.3126 60.0544 72.5420 172.6420 38 E 4.8115 8.9424 122.2418 55.4144 34.9451 175.1337 39 R 4.8391 8.6654 121.7662 54.7841 32.8794 174.5429 40 G 4.2382 8.0599 116.6090 45.7912 0.0000 172.5595 41 C 4.9815 9.9678 121.8620 54.9791 43.1499 174.3541 42 G 3.5313 7.8642 108.5063 47.4805 0.0000 173.7382 43 C 6.0229 8.0275 135.0000 56.4936 45.4510 172.8881 44 P 4.5664 0.0000 0.0000 62.4306 32.1433 174.3298 45 S 4.4418 7.8742 111.5481 57.6463 65.1868 172.4308 46 V 3.8587 8.3782 117.0724 60.5828 32.0777 169.7723 47 K 4.1348 7.8245 124.3431 58.3474 36.5442 172.6343 48 N 4.1969 8.7473 113.0765 55.2927 41.4441 172.9864 49 G 4.2212 9.4478 115.0770 45.8243 0.0000 173.4167 50 I 4.2783 7.3213 111.5377 60.1055 39.9847 174.3290 51 E 4.7018 8.7935 122.6726 54.7506 31.3325 175.1660 52 I 5.1247 8.1795 126.1006 60.0307 41.8319 174.7552 53 N 4.7841 8.9787 122.1595 52.6244 42.9022 172.6388 54 C 5.2084 8.7043 124.4180 55.4123 43.6968 173.2206 55 C 5.0007 8.8842 123.7468 55.8834 47.2219 172.9686 56 T 4.8641 8.3682 115.1103 59.2270 67.9066 173.6811 57 T 4.4434 7.1597 122.2923 61.7258 68.9837 174.2506 58 D 4.0133 8.4953 121.7305 55.7339 39.6638 174.7593 59 R 3.6274 7.5834 124.2814 57.3796 27.6640 175.9498 60 C 4.5684 7.7647 113.9467 56.4805 44.7066 173.8039 61 N 4.6189 7.7046 116.7860 52.3937 35.7149 174.5314 62 N 4.5021 8.0250 123.9821 54.4015 39.3808 173.9053 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 L 8.18 4.30 0.00 1.62 1.69 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 2 E 8.32 4.58 0.00 2.08 1.70 0.00 0.00 0.00 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 2.35 0.00 3 C 9.48 5.28 0.00 2.92 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 4 H 8.61 5.40 0.00 2.91 3.10 0.00 5.66 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 9.20 5.73 0.00 2.67 2.61 0.00 0.00 6.64 7.13 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 6 Q 8.24 4.85 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.71 0.00 0.00 0.00 0.00 0.00 2.22 2.37 0.00 7 Q 8.96 3.87 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.36 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 8 S 8.89 3.80 0.00 3.98 3.89 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 7.77 3.77 0.00 3.93 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 10 Q 7.98 4.45 0.00 2.02 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.47 6.51 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 11 T 9.08 4.50 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 12 P 0.00 4.53 0.00 2.14 2.04 0.00 3.70 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 13 T 9.21 4.85 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 T 8.36 5.05 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 15 T 9.07 4.52 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 16 G 8.78 4.06 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 0.00 0.00 0.00 17 C 8.73 4.77 0.00 2.98 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 18 S 8.09 4.66 0.00 3.99 3.74 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 19 G 7.19 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 0.00 0.00 0.00 0.00 20 G 8.14 5.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 7.67 4.41 0.00 1.98 1.89 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 2.31 2.29 0.00 22 T 8.05 4.77 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 23 N 8.01 5.10 0.00 2.86 2.69 0.00 0.00 6.77 7.66 0.00 0.00 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 C 8.58 5.50 0.00 3.03 2.92 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 0.00 0.00 0.00 0.00 25 Y 8.08 5.24 0.00 2.29 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 9.14 4.53 0.00 1.73 1.75 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.32 7.81 27 K 8.75 5.01 0.00 1.33 1.00 0.00 1.49 0.00 0.00 1.32 0.00 0.00 2.72 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.91 1.13 7.81 28 R 8.23 4.40 0.00 1.61 1.47 0.00 3.03 0.00 0.00 3.10 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.39 0.00 29 W 8.59 5.36 0.00 3.25 3.33 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 30 R 8.58 5.02 0.00 2.00 2.14 0.00 2.64 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 31 D 8.40 4.68 0.00 2.71 2.52 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 0.00 0.00 0.00 0.00 32 H 8.44 4.18 0.00 2.95 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 9.82 4.34 0.00 1.77 1.85 0.00 3.18 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 34 G 7.47 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.47 4.94 0.00 2.72 2.60 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 36 R 9.47 4.92 0.00 1.98 2.27 0.00 3.44 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.89 0.00 37 T 8.61 4.97 4.16 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 1.16 0.00 0.00 38 E 8.94 4.81 0.00 1.80 1.77 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 2.24 2.31 0.00 39 R 8.67 4.84 0.00 1.77 1.78 0.00 3.01 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 40 G 8.06 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 0.00 0.00 0.00 0.00 41 C 9.97 4.98 0.00 2.94 2.98 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 42 G 7.86 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.03 6.02 0.00 2.99 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 44 P 0.00 4.57 0.00 2.23 2.08 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 45 S 7.87 4.44 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 46 V 8.38 3.86 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 0.73 0.00 0.00 0.95 0.00 0.00 47 K 7.82 4.13 0.00 1.88 1.83 0.00 1.93 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 1.26 7.81 48 N 8.75 4.20 0.00 2.61 2.66 0.00 0.00 7.13 7.99 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 49 G 9.45 4.22 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 0.00 50 I 7.32 4.28 2.23 0.00 0.00 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 1.35 0.75 1.15 0.00 0.00 51 E 8.79 4.70 0.00 2.10 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 52 I 8.18 5.12 1.85 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 1.34 1.05 0.88 0.00 0.00 53 N 8.98 4.78 0.00 2.65 2.64 0.00 0.00 6.60 6.98 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 54 C 8.70 5.21 0.00 2.95 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.88 5.00 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.37 4.86 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 57 T 7.16 4.44 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 58 D 8.50 4.01 0.00 2.81 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 3.63 0.00 2.04 1.89 0.00 3.17 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 60 C 7.76 4.57 0.00 2.91 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 61 N 7.70 4.62 0.00 2.83 2.82 0.00 0.00 5.76 8.02 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 62 N 8.03 4.50 0.00 2.62 2.63 0.00 0.00 7.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00