NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4629 8.2893 120.3260 55.3202 33.4256 175.0815 2 T 4.0111 8.3520 113.6590 60.8936 69.8992 170.5132 3 E 4.5405 9.2345 124.0491 55.1400 32.3088 176.4621 4 E 4.7435 8.4796 121.9982 55.0742 31.9780 174.8939 5 V 4.5683 8.6397 123.9071 61.1747 33.1787 174.2602 6 I 4.5017 8.2934 128.4724 60.1679 38.6937 175.0553 7 V 4.7446 8.1453 119.3992 59.5088 36.6999 174.6574 8 I 4.7463 8.2897 121.5096 59.3103 40.2036 175.2788 9 A 4.4328 8.8630 129.1684 52.1176 18.9486 177.9524 10 K 4.1723 8.2779 119.3770 55.6483 33.7183 176.7668 11 W 5.4110 7.9315 117.8862 54.4242 33.3991 174.6329 12 D 4.6163 8.8781 122.7922 53.7456 39.6711 174.8714 13 Y 4.6683 8.6694 123.6297 55.8772 42.3436 173.6153 14 T 5.3323 7.4418 119.4928 58.9945 69.3618 173.9687 15 A 4.2519 8.4982 131.0184 52.8883 18.8728 177.5021 16 Q 4.2564 8.8370 119.6815 56.7028 29.1436 175.3125 17 Q 4.7311 7.6210 115.9503 54.3794 33.2465 175.4184 18 D 4.4627 8.6559 118.4772 57.3657 40.6674 178.0393 19 Q 4.2375 8.1642 116.5539 57.0692 29.1911 175.6146 20 E 4.5495 7.8723 118.1451 55.1700 31.2032 174.4108 21 L 4.9312 8.1064 119.0707 52.9554 44.5333 176.5399 22 D 4.7662 8.7826 123.0476 54.2538 42.7494 174.6466 23 I 5.6329 8.7582 116.8456 58.3075 41.7846 173.6386 24 K 4.8517 8.3528 121.0017 54.3360 34.9239 176.5608 25 K 4.1516 8.7361 118.9077 59.3710 32.0849 177.5808 26 N 5.2337 7.7385 116.2418 52.0627 39.4177 173.6422 27 E 4.5549 8.1967 118.0700 54.4157 31.9891 174.4863 28 R 4.4496 8.3724 125.9374 55.3686 30.9204 175.7309 29 L 4.6649 8.1535 123.0694 52.6335 45.6739 175.8869 30 W 4.8114 8.7337 121.7267 55.1840 30.3941 175.6158 31 L 4.7143 8.8816 126.2123 54.6895 41.8950 177.9556 32 L 5.1805 8.7940 121.8054 55.1500 44.3392 176.9610 33 D 4.4592 7.7225 118.1932 53.5367 44.7556 175.7349 34 D 3.3700 8.2492 122.1452 52.4130 39.9801 177.4065 35 S 4.2363 7.8224 116.9139 61.5245 63.0915 174.9962 36 K 4.5272 7.8402 117.8119 55.6426 32.9306 176.9010 37 T 4.1825 8.7884 117.6361 66.2470 68.6151 174.7506 38 W 4.9497 8.4591 120.1814 55.0796 30.9406 175.9384 39 W 5.6006 8.8306 123.7724 54.4617 31.3669 175.0235 40 R 4.5271 8.6441 124.9932 55.6346 31.0113 175.3482 41 V 5.0984 9.4017 125.6748 60.1536 35.7879 173.9876 42 R 5.2314 9.3118 121.2358 54.7635 33.5058 173.8685 43 N 5.8197 9.1445 120.7871 51.0911 42.2136 175.5719 44 A 3.7614 9.2947 122.8954 55.0829 18.5228 178.5449 45 A 4.1864 7.9702 116.3488 52.3399 18.4945 176.9786 46 N 4.2812 8.3722 113.8437 54.4459 38.0552 173.6623 47 R 4.9254 7.7225 114.5108 54.1855 33.0235 175.1502 48 T 5.1450 8.1420 111.2507 60.4242 72.2202 172.7561 49 G 4.1256 8.8165 109.3286 47.1331 0.0000 171.5723 50 Y 5.1989 9.0180 117.8143 56.6486 38.9227 176.3424 51 V 4.6479 9.3333 118.7561 56.9327 34.2662 176.0095 52 P 4.1492 0.0000 0.0000 62.3497 29.8298 179.0581 53 S 3.3165 6.7660 118.3980 58.0410 60.9958 174.9919 54 N 3.9986 7.4461 121.2456 55.9776 39.5222 174.0691 55 Y 4.9452 7.4083 116.2481 58.3779 37.8323 175.5587 56 V 4.7306 7.7090 116.8265 59.9405 35.2664 174.7209 57 E 4.7986 8.7192 122.9962 54.3307 32.7236 175.1797 58 R 4.5301 8.6541 125.0771 56.2452 31.2270 176.8239 59 K 4.0661 7.9789 121.7592 57.0761 33.4806 175.6631 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 M 8.29 4.46 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 T 8.35 4.01 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 3 E 9.23 4.54 0.00 1.94 1.88 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 2.23 2.29 0.00 4 E 8.48 4.74 0.00 1.92 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 0.00 2.34 2.25 0.00 5 V 8.64 4.57 1.95 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 0.97 0.00 0.00 0.80 0.00 0.00 6 I 8.29 4.50 1.84 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.08 0.75 0.00 0.00 7 V 8.15 4.74 2.26 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 0.92 0.00 0.00 1.00 0.00 0.00 8 I 8.29 4.75 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.57 0.79 0.00 0.00 9 A 8.86 4.43 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.28 4.17 0.00 0.79 0.74 0.00 1.24 0.00 0.00 1.27 0.00 0.00 2.75 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.11 0.95 7.81 11 W 7.93 5.41 0.00 3.37 2.77 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 12 D 8.88 4.62 0.00 2.67 2.70 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 0.00 0.00 0.00 13 Y 8.67 4.67 0.00 3.05 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 14 T 7.44 5.33 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 0.84 0.00 0.00 15 A 8.50 4.25 1.31 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 0.00 0.00 0.00 16 Q 8.84 4.26 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 17 Q 7.62 4.73 0.00 2.41 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.96 0.00 0.00 0.00 0.00 0.00 2.74 2.86 0.00 18 D 8.66 4.46 0.00 2.72 2.77 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 19 Q 8.16 4.24 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 20 E 7.87 4.55 0.00 2.16 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 2.52 2.60 0.00 21 L 8.11 4.93 0.00 1.55 1.61 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.78 4.77 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.76 5.63 1.93 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 1.56 2.15 1.05 0.00 0.00 24 K 8.35 4.85 0.00 1.62 1.77 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.58 7.81 25 K 8.74 4.15 0.00 1.78 1.93 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.66 1.44 7.81 26 N 7.74 5.23 0.00 2.58 2.68 0.00 0.00 7.16 7.60 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 27 E 8.20 4.55 0.00 2.07 1.82 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 2.27 2.32 0.00 28 R 8.37 4.45 0.00 1.36 1.36 0.00 3.01 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 29 L 8.15 4.66 0.00 1.50 1.56 1.17 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.73 4.81 0.00 3.49 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 31 L 8.88 4.71 0.00 1.72 1.45 0.97 0.76 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 32 L 8.79 5.18 0.00 1.35 1.67 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 33 D 7.72 4.46 0.00 2.63 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 3.37 0.00 1.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 4.24 0.00 3.89 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 36 K 7.84 4.53 0.00 2.11 1.94 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.48 7.81 37 T 8.79 4.18 4.56 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 0.00 0.00 0.00 1.43 0.00 0.00 38 W 8.46 4.95 0.00 3.24 3.40 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 39 W 8.83 5.60 0.00 3.45 3.07 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 40 R 8.64 4.53 0.00 1.18 1.54 0.00 2.71 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.00 41 V 9.40 5.10 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 1.01 0.00 0.00 1.10 0.00 0.00 42 R 9.31 5.23 0.00 1.85 1.88 0.00 2.93 0.00 0.00 2.94 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 43 N 9.14 5.82 0.00 2.71 2.77 0.00 0.00 7.08 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 44 A 9.29 3.76 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 0.00 0.00 45 A 7.97 4.19 1.31 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 0.00 0.00 0.00 46 N 8.37 4.28 0.00 2.82 2.92 0.00 0.00 6.90 8.44 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 47 R 7.72 4.93 0.00 1.82 1.83 0.00 3.15 0.00 0.00 3.42 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 48 T 8.14 5.15 4.20 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 1.20 0.00 0.00 49 G 8.82 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 Y 9.02 5.20 0.00 3.20 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 9.33 4.65 2.16 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 1.19 0.00 0.00 1.00 0.00 0.00 52 P 0.00 4.15 0.00 1.71 1.46 0.00 3.53 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.85 0.00 53 S 6.77 3.32 0.00 3.68 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.45 4.00 0.00 2.32 2.48 0.00 0.00 7.00 7.28 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 55 Y 7.41 4.95 0.00 3.22 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 4.73 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 0.65 0.00 0.00 1.03 0.00 0.00 57 E 8.72 4.80 0.00 2.02 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 58 R 8.65 4.53 0.00 1.77 1.86 0.00 3.35 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 59 K 7.98 4.07 0.00 1.81 1.60 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.33 7.81