NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3375 8.3044 118.1934 55.4998 31.9307 174.6929 2 T 4.2272 8.2462 119.0431 60.0031 69.4457 171.4067 3 Q 4.7114 8.9103 122.1853 53.6694 31.8812 176.1866 4 K 3.8475 8.7634 121.8872 58.2082 32.3364 176.7964 5 F 4.6756 8.2258 117.4427 55.7912 40.4584 174.4049 6 T 4.7216 8.0870 119.4620 59.4182 70.3545 174.6897 7 K 4.0909 8.3711 123.3542 59.3083 32.9822 178.7389 8 D 4.2798 7.7425 119.0174 56.6974 41.5169 176.4911 9 M 4.2977 7.5180 115.0647 54.7817 32.2906 175.7123 10 T 4.6156 8.0001 110.3388 60.8980 71.6200 175.7265 11 F 4.0612 8.7941 121.0265 60.8024 38.8156 177.8476 12 A 4.0645 8.3549 120.3165 55.4288 17.9244 179.7964 13 Q 3.9363 7.7701 115.3578 58.8675 29.1048 178.3260 14 A 4.3562 8.0526 121.8196 55.3952 16.9146 179.5474 15 L 4.0390 8.2517 117.5829 58.1778 41.5659 179.3642 16 Q 3.8783 7.7715 115.1141 57.5393 28.8859 177.8500 17 T 4.3509 7.7246 117.0067 64.8579 69.0838 174.9638 18 H 4.7677 7.7638 118.0903 52.9097 32.5595 172.3786 19 P 4.3543 0.0000 0.0000 65.7003 31.1013 178.7483 20 G 3.7269 8.2001 103.7228 47.3620 0.0000 175.5413 21 V 3.4749 7.9975 120.7594 65.8023 31.3233 177.7267 22 A 4.1036 8.0644 120.6758 55.1642 18.2000 179.8157 23 G 3.5433 8.0279 103.5944 47.8639 0.0000 175.7854 24 V 3.6034 7.5251 120.4669 65.6450 31.5094 177.9580 25 L 3.9915 8.1867 118.9431 58.1118 41.6126 179.8324 26 R 4.0688 8.2642 118.0533 59.3995 29.7471 179.1385 27 S 4.2570 8.2852 112.1418 60.9264 62.3576 174.6054 28 Y 4.3836 7.9462 117.8167 57.4185 38.1611 175.7968 29 N 4.3140 7.7826 115.8541 54.2937 38.5013 174.2111 30 L 4.3350 8.3473 116.7830 55.2320 42.0513 178.8893 31 G 3.5796 7.9503 110.9598 48.6054 0.0000 175.6747 32 C 4.4017 8.0472 116.6328 61.0307 27.9446 175.2490 33 I 3.5210 7.3808 116.2489 64.0300 36.5084 178.4146 34 G 3.5067 7.4176 105.4286 47.4656 0.0000 175.2064 35 C 4.2670 7.7888 120.7240 62.3806 31.7321 174.9495 36 M 4.3543 7.9758 115.4742 55.5867 30.7796 176.3737 37 G 3.7729 7.7934 107.3987 46.9495 0.0000 174.7002 38 A 4.5139 8.1023 120.6691 52.1476 18.7226 180.4235 39 Q 4.0924 7.8616 117.6188 59.7399 28.8131 178.0529 40 N 4.8837 8.1604 111.9516 53.0486 38.8865 174.0533 41 E 4.7774 8.0456 120.0836 54.2348 32.0381 175.7106 42 S 4.5904 8.3518 120.3589 58.0451 65.0281 175.4283 43 L 2.7460 8.1397 125.4477 57.9004 41.4224 179.8798 44 E 3.9679 7.8451 119.0482 59.1390 29.6196 178.9211 45 Q 4.1275 8.0899 117.8841 59.0726 29.0917 178.8512 46 G 3.8372 8.3745 106.0378 47.6277 0.0000 175.3466 47 A 4.1035 8.3652 123.0543 55.4841 18.4890 179.4866 48 N 4.3226 8.4432 114.2189 56.3656 38.3967 177.5245 49 A 4.1095 7.9244 121.1793 54.7982 18.4661 178.3734 50 H 4.7676 7.9264 111.6797 54.7660 29.2959 175.0653 51 G 3.9027 8.1892 108.4151 47.0366 0.0000 173.8887 52 L 4.8217 8.0983 117.8985 52.3693 44.9551 175.6939 53 N 4.8454 8.4119 118.8363 52.0285 40.0602 176.3557 54 V 3.7677 8.4296 126.0436 64.6275 31.3627 178.1221 55 E 3.9103 8.5908 119.6890 59.6573 29.2595 178.8204 56 D 4.3956 7.7910 116.4348 57.2085 41.1776 178.3821 57 I 3.4468 7.6578 119.8927 64.3823 37.1858 178.1154 58 L 3.8867 8.2209 120.1710 57.6533 41.2387 179.3327 59 R 3.8356 7.9730 118.6362 59.8859 29.7623 178.1124 60 D 4.2545 7.5299 116.3156 56.9550 41.4978 177.9042 61 L 3.6369 7.7749 119.6668 57.7868 41.5703 179.3012 62 N 4.6087 8.3847 116.3234 56.2084 38.3381 177.3233 63 A 3.9777 7.6458 122.3729 54.9363 18.1318 179.6075 64 L 3.9408 7.5882 116.6440 57.4716 41.6349 179.0988 65 A 4.1809 7.6762 120.4488 54.7594 18.5886 179.4191 66 L 4.0285 7.8167 116.9982 57.3768 41.7676 179.0662 67 E 3.9101 8.2494 114.0191 57.0605 28.1270 175.2047 68 H 4.3286 7.8358 116.5489 58.2032 29.0827 175.6352 69 H 4.3677 8.2642 115.4655 55.4808 28.7545 174.0788 70 H 4.7631 8.6226 122.1249 54.1619 29.9137 175.5719 71 H 4.3787 8.6566 119.5916 57.2025 29.0095 174.7800 72 H 4.8121 7.4027 120.0223 54.6673 32.6545 172.2757 73 H 4.3342 8.6637 124.8303 56.3759 29.7139 174.5582 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 8.30 4.34 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 2 T 8.25 4.23 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 1.19 0.00 0.00 3 Q 8.91 4.71 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 4 K 8.76 3.85 0.00 1.53 1.45 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.41 7.81 5 F 8.23 4.68 0.00 3.15 2.88 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 6 T 8.09 4.72 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 1.21 0.00 0.00 7 K 8.37 4.09 0.00 1.94 2.03 0.00 1.54 0.00 0.00 1.92 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.40 7.81 8 D 7.74 4.28 0.00 2.61 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 9 M 7.52 4.30 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.76 0.00 10 T 8.00 4.62 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 1.23 0.00 0.00 11 F 8.79 4.06 0.00 3.22 3.14 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 12 A 8.35 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.77 3.94 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 14 A 8.05 4.36 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 0.00 0.00 15 L 8.25 4.04 0.00 1.90 1.79 1.01 1.27 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 16 Q 7.77 3.88 0.00 1.99 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.94 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 17 T 7.72 4.35 4.46 0.00 0.00 0.00 0.00 0.00 0.00 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 18 H 7.76 4.77 0.00 3.50 3.26 0.00 5.83 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.35 0.00 2.18 2.14 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 20 G 8.20 3.73 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 0.00 0.00 0.00 21 V 8.00 3.47 2.21 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 1.07 0.00 0.00 0.87 0.00 0.00 22 A 8.06 4.10 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 23 G 8.03 3.54 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 0.00 0.00 0.00 24 V 7.53 3.60 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 0.65 0.00 0.00 0.90 0.00 0.00 25 L 8.19 3.99 0.00 1.85 1.74 1.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.26 4.07 0.00 1.86 2.00 0.00 3.13 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 27 S 8.29 4.26 0.00 4.01 4.33 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 28 Y 7.95 4.38 0.00 3.09 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 29 N 7.78 4.31 0.00 2.91 3.00 0.00 0.00 7.06 7.88 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 30 L 8.35 4.34 0.00 1.79 1.57 1.10 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.95 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.40 0.00 3.00 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 33 I 7.38 3.52 1.38 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.48 -0.12 0.00 0.00 34 G 7.42 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.79 4.27 0.00 2.99 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 36 M 7.98 4.35 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 37 G 7.79 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 0.00 0.00 0.00 38 A 8.10 4.51 1.06 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 39 Q 7.86 4.09 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 40 N 8.16 4.88 0.00 2.74 2.86 0.00 0.00 6.70 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 41 E 8.05 4.78 0.00 2.09 2.20 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 2.41 2.55 0.00 42 S 8.35 4.59 0.00 3.89 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 43 L 8.14 2.75 0.00 1.45 1.43 0.93 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.85 3.97 0.00 1.96 1.93 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 2.32 2.36 0.00 45 Q 8.09 4.13 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 46 G 8.37 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 47 A 8.37 4.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.44 4.32 0.00 2.81 2.92 0.00 0.00 7.28 6.57 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 49 A 7.92 4.11 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.93 4.77 0.00 3.18 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.19 3.90 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 0.00 0.00 0.00 52 L 8.10 4.82 0.00 1.67 1.66 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.41 4.85 0.00 2.74 2.71 0.00 0.00 6.65 7.73 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 54 V 8.43 3.77 2.08 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 1.07 0.00 0.00 0.89 0.00 0.00 55 E 8.59 3.91 0.00 2.02 2.06 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 2.58 2.48 0.00 56 D 7.79 4.40 0.00 2.89 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 57 I 7.66 3.45 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.67 0.69 0.00 0.00 58 L 8.22 3.89 0.00 1.76 1.73 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.97 3.84 0.00 1.95 2.10 0.00 3.10 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 60 D 7.53 4.25 0.00 2.59 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.77 3.64 0.00 1.30 0.36 0.66 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.38 4.61 0.00 2.80 2.92 0.00 0.00 7.02 8.03 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 63 A 7.65 3.98 1.14 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 64 L 7.59 3.94 0.00 1.61 1.65 0.70 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.68 4.18 1.44 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 0.00 0.00 66 L 7.82 4.03 0.00 1.74 1.83 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.25 3.91 0.00 2.04 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 0.00 2.28 2.49 0.00 68 H 7.84 4.33 0.00 3.15 3.35 0.00 5.65 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 69 H 8.26 4.37 0.00 3.27 3.31 0.00 5.53 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.62 4.76 0.00 3.26 3.20 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.66 4.38 0.00 3.27 3.44 0.00 5.47 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.40 4.81 0.00 3.07 3.07 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 8.66 4.33 0.00 3.11 3.07 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00