NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2011 8.4444 121.4767 56.2148 30.6684 176.2528 2 C 4.4876 8.4442 124.3531 53.9770 43.5819 169.8010 3 E 4.1907 8.2422 128.5408 54.8276 28.6415 175.1250 4 S 4.5168 7.3475 115.3945 56.2881 61.2585 172.7622 5 G 4.0610 7.7828 112.7704 42.4711 0.0000 168.9897 6 P 4.4208 0.0000 0.0000 63.8042 31.1717 178.2158 7 C 4.3522 8.2732 119.1422 58.5672 43.8225 174.1432 8 C 4.7584 8.0353 116.8549 56.5970 41.7595 171.9796 9 R 3.9337 7.9511 120.4647 57.4868 29.4848 176.5352 10 N 4.9179 8.1851 119.1240 54.4882 41.9776 176.4232 11 C 4.7093 7.9252 110.2287 56.6092 44.6295 173.9061 12 K 4.2777 7.5337 118.8902 53.7959 33.7680 175.5697 13 F 4.3818 7.9107 122.2746 57.2682 38.3848 175.4375 14 L 4.3567 7.9666 125.5629 54.3060 42.3264 177.5578 15 K 4.3152 8.3487 118.6767 57.1349 29.5939 177.5621 16 E 3.6650 7.5605 117.7494 58.2227 27.2242 176.5704 17 G 4.0692 8.8144 119.3012 46.2408 0.0000 172.8840 18 T 4.6875 7.9500 114.9961 61.1709 71.9877 175.0670 19 I 3.2786 8.5612 127.7936 62.0018 37.0908 176.5709 20 C 4.4004 9.2540 129.5427 57.8185 39.0300 172.7669 21 K 4.5605 7.5711 116.9807 54.5925 34.8837 177.0432 22 R 4.5678 8.5790 126.9559 54.4917 29.0811 176.2080 23 A 4.2773 7.3297 122.7911 52.0599 19.9408 176.8906 24 R 4.7090 8.3232 119.0482 56.2270 32.9378 174.0369 25 G 4.3458 8.7713 117.1978 45.7026 0.0000 173.4320 26 D 4.6700 7.2663 116.8924 54.8189 43.9927 175.9767 27 D 4.8330 7.7365 123.3165 53.9964 41.4401 177.1413 28 M 4.2497 7.9572 128.9115 54.3608 30.2955 177.0328 29 D 4.6802 8.7942 122.0260 54.1496 41.0420 173.2637 30 D 5.1949 6.9158 113.0987 55.0430 42.9295 173.7167 31 Y 4.6780 7.9082 118.1492 57.5950 39.5585 176.3149 32 C 4.5603 9.3561 122.0911 56.8097 36.5030 174.0002 33 N 4.6686 8.6714 118.6033 52.7915 38.5283 177.2957 34 G 4.1610 7.7846 109.6062 45.7201 0.0000 175.2641 35 K 3.6364 7.4309 117.3040 57.1434 33.7823 176.5334 36 T 4.9789 7.2293 111.0106 60.5968 70.8257 173.5375 37 C 5.2370 9.4453 121.7728 56.5343 41.0188 173.8727 38 D 4.6532 7.9713 112.9923 55.9498 42.0740 175.2695 39 C 4.3690 8.3256 112.8381 56.6832 40.9068 170.7896 40 P 4.4990 0.0000 0.0000 62.4566 32.2145 176.6605 41 R 4.2849 8.3424 122.1061 56.3398 31.0297 176.0752 42 N 4.9227 8.3953 121.8750 50.5246 38.6783 172.5794 43 P 3.9763 0.0000 0.0000 62.5377 32.4751 176.3594 44 H 3.9210 7.7659 118.7194 57.1338 26.5145 177.6147 45 K 4.2753 7.5588 119.4473 58.4012 30.6853 175.6724 46 G 3.9073 7.9344 117.9613 44.3835 0.0000 169.7749 47 P 4.4111 0.0000 0.0000 61.2569 33.0062 176.9293 48 A 4.0645 8.4570 124.0349 53.3929 19.0918 177.6849 49 T 3.9465 8.5932 110.1796 62.3090 70.2303 172.0541 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 E 8.44 4.20 0.00 1.99 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 2.23 2.33 0.00 2 C 8.44 4.49 0.00 2.98 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 3 E 8.24 4.19 0.00 2.08 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 2.47 2.36 0.00 4 S 7.35 4.52 0.00 3.84 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 5 G 7.78 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 6 P 0.00 4.42 0.00 2.04 2.20 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 7 C 8.27 4.35 0.00 2.96 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 8 C 8.04 4.76 0.00 2.99 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 3.93 0.00 1.68 1.74 0.00 3.13 0.00 0.00 3.28 7.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 10 N 8.19 4.92 0.00 2.71 2.69 0.00 0.00 6.64 7.63 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 11 C 7.93 4.71 0.00 2.84 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 12 K 7.53 4.28 0.00 1.66 1.61 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.31 7.81 13 F 7.91 4.38 0.00 3.13 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 14 L 7.97 4.36 0.00 1.88 1.68 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.35 4.32 0.00 1.87 1.80 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.40 7.81 16 E 7.56 3.66 0.00 1.99 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 0.00 2.24 2.44 0.00 17 G 8.81 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 0.00 0.00 0.00 18 T 7.95 4.69 4.32 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 1.26 0.00 0.00 19 I 8.56 3.28 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.32 0.77 0.00 0.00 20 C 9.25 4.40 0.00 2.95 3.09 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 0.00 21 K 7.57 4.56 0.00 1.78 1.67 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.43 7.81 22 R 8.58 4.57 0.00 1.81 1.85 0.00 3.45 0.00 0.00 3.83 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 23 A 7.33 4.28 1.38 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 0.00 0.00 24 R 8.32 4.71 0.00 1.71 1.75 0.00 3.27 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 25 G 8.77 4.35 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 0.00 26 D 7.27 4.67 0.00 2.65 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 27 D 7.74 4.83 0.00 2.62 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 28 M 7.96 4.25 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.97 0.00 29 D 8.79 4.68 0.00 2.30 2.28 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 30 D 6.92 5.19 0.00 2.44 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 31 Y 7.91 4.68 0.00 2.85 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 32 C 9.36 4.56 0.00 3.02 3.15 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 0.00 0.00 0.00 33 N 8.67 4.67 0.00 2.77 2.77 0.00 0.00 6.69 7.67 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 34 G 7.78 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 0.00 0.00 0.00 0.00 35 K 7.43 3.64 0.00 1.49 1.59 0.00 1.56 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.20 1.19 7.81 36 T 7.23 4.98 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 37 C 9.45 5.24 0.00 3.16 3.19 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 0.00 0.00 0.00 38 D 7.97 4.65 0.00 2.61 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 39 C 8.33 4.37 0.00 3.05 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 40 P 0.00 4.50 0.00 2.46 1.99 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 41 R 8.34 4.28 0.00 1.77 1.84 0.00 3.24 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 42 N 8.40 4.92 0.00 3.02 2.98 0.00 0.00 7.29 7.74 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 43 P 0.00 3.98 0.00 2.14 1.91 0.00 3.75 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 2.10 2.13 0.00 44 H 7.77 3.92 0.00 3.25 3.47 0.00 5.90 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.56 4.28 0.00 1.73 1.81 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.64 7.81 46 G 7.93 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.41 0.00 2.21 2.08 0.00 3.81 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.99 0.00 48 A 8.46 4.06 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 49 T 8.59 3.95 4.29 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 1.36 0.00 0.00