NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3446 8.2544 119.7064 56.3789 30.3357 174.1051 9 N 4.7232 8.4412 121.2632 52.9630 41.1580 172.7203 10 E 4.1751 8.9888 117.3010 57.6449 31.0698 176.2860 11 L 4.4454 7.8608 116.3934 54.6368 41.5952 176.3187 12 E 4.4616 7.9521 119.9904 56.7060 31.3316 176.5295 13 E 4.4700 7.6204 116.6530 56.3045 28.7983 176.1869 14 M 4.6093 7.8780 118.3242 55.1834 34.1548 176.4421 15 Q 4.2996 7.8923 115.5791 56.5766 29.5205 177.2202 16 R 4.0727 7.4186 120.5491 58.8362 30.4900 178.6812 17 R 4.3692 8.1546 118.1755 57.8671 30.3600 178.6479 18 A 4.0395 7.5217 121.6148 54.6309 18.2414 178.1469 19 D 4.6042 7.6550 113.0491 54.9182 41.2346 177.1837 20 Q 4.2253 7.7217 119.6265 58.8203 29.2607 176.7194 21 L 4.2624 7.9123 118.0244 55.6657 41.6807 177.6962 22 A 4.4717 7.4088 118.1811 52.7567 19.3584 178.1088 23 D 4.3131 7.6813 116.6847 55.5406 41.6928 178.0384 24 E 4.2978 8.0183 117.8110 57.8461 30.2136 178.0513 25 S 4.4314 7.8085 116.3011 59.4498 61.5113 175.7640 26 L 4.2354 7.4202 122.6900 57.1341 42.1331 178.0856 27 E 4.2856 8.1116 119.3127 58.7796 29.3898 178.4729 28 S 4.3187 8.0322 113.4867 60.6618 63.1685 175.7390 29 T 4.0441 7.5974 115.0972 63.7255 67.0541 175.7630 30 R 4.1179 7.2321 118.5836 58.7165 30.8266 178.6948 31 R 4.0197 7.7701 116.6259 59.0678 30.2159 178.8313 32 M 4.1872 8.2079 118.9472 58.2565 31.8015 178.1831 33 L 3.9401 7.4189 120.1203 58.3895 42.2215 178.7611 34 Q 4.9678 7.8917 120.0834 58.1079 29.1854 177.7030 35 L 4.0971 7.7491 119.4035 56.8345 41.5391 179.4632 36 V 3.7498 7.5790 118.1330 65.6667 31.9085 177.4772 37 E 4.0161 7.6967 116.9436 59.6885 29.2368 179.3462 38 E 4.0719 8.1618 117.8364 59.1405 29.0093 179.3936 39 S 4.1646 7.6178 114.6654 60.7846 62.8879 176.5561 40 K 3.8164 8.4629 123.0336 59.5584 32.0624 178.5916 41 D 4.3198 8.7691 119.2247 57.3497 40.6910 178.3910 42 A 4.3171 8.0272 118.1721 53.3970 18.6182 178.6608 43 G 3.8237 7.3791 104.3921 46.6106 0.0000 176.2030 44 I 3.7132 8.1307 122.7946 64.3480 37.1610 178.7014 45 R 3.9491 7.9838 118.6600 59.6249 29.7322 179.1833 46 T 3.9032 7.8707 114.9830 66.4406 68.2553 176.5048 47 L 4.0066 7.7804 120.9183 57.7356 41.7911 179.6909 48 V 3.6764 8.1240 119.3576 65.0318 31.0471 178.3872 49 M 4.0433 8.0439 119.3968 58.2647 31.9477 178.5647 50 L 4.2907 7.7160 118.7680 57.2822 41.6489 179.2171 51 D 4.2381 7.8693 118.2606 57.2344 41.3408 177.8699 52 E 3.9581 7.8647 118.7861 59.6272 29.5483 179.3640 53 Q 4.0762 8.6688 118.3344 59.1339 28.6004 179.2337 54 G 3.7657 7.6430 105.2203 47.9485 0.0000 175.1352 55 E 4.4271 8.1589 121.8371 58.6304 29.6577 179.1174 56 Q 4.0202 8.0504 118.0845 58.9432 28.6682 178.6751 57 L 4.1815 8.1555 119.0861 56.7402 41.5561 178.7664 58 D 4.4541 8.0383 119.3246 56.6273 41.2723 178.7415 59 R 4.0123 7.8895 118.0970 59.3801 29.8894 179.0438 60 V 3.5957 7.5212 116.8041 65.9049 31.8412 177.4454 61 E 4.0776 7.9113 119.2846 59.2117 29.5112 178.3276 62 E 4.0891 8.2837 118.8734 59.5246 29.5213 179.5544 63 G 3.6767 8.2190 105.5158 48.3371 0.0000 175.6391 64 M 4.3869 7.9315 120.3513 57.5870 31.9820 178.5020 65 N 4.4303 8.0456 116.4390 56.0037 39.1133 176.6062 66 H 4.0430 8.8429 120.0020 59.3508 29.8753 177.3464 67 I 3.7014 8.2986 121.8249 64.4984 36.5131 177.9518 68 N 4.3348 8.3250 117.4013 56.0829 38.7618 176.2918 69 Q 4.2900 7.9887 120.6961 58.9320 29.2162 177.0500 70 D 4.5537 7.8788 118.9784 56.8139 40.9749 178.6261 71 M 4.1000 8.2115 119.9187 58.2032 31.7261 178.7823 72 K 4.0725 7.4169 118.2617 59.0618 31.9754 178.7519 73 E 4.0455 7.7621 118.5165 59.1089 29.6210 178.4809 74 A 4.1477 7.8254 120.3446 54.1548 18.4024 178.3414 75 E 4.1391 7.7553 115.6323 57.3624 29.9956 177.3658 76 K 4.3097 7.6316 118.2744 58.9728 33.0347 177.3127 77 N 4.6073 8.0095 113.4316 54.7055 38.8531 175.7353 78 L 4.2725 7.6627 117.9667 56.4066 42.5621 178.3441 79 K 4.0960 7.9500 119.7351 59.4339 32.3245 178.4339 80 D 4.5533 7.9929 116.9046 56.3868 41.0832 177.0609 81 L 4.5210 7.2303 118.3553 53.9439 40.9857 176.6996 82 G 4.3633 8.1110 110.2667 45.9225 0.0000 170.8930 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 8 R 8.25 4.34 0.00 1.82 1.99 0.00 3.11 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 9 N 8.44 4.72 0.00 2.83 2.74 0.00 0.00 7.09 6.77 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 10 E 8.99 4.18 0.00 1.99 1.98 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 2.27 2.32 0.00 11 L 7.86 4.45 0.00 1.63 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.95 4.46 0.00 1.97 1.90 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 2.27 2.29 0.00 13 E 7.62 4.47 0.00 1.96 1.94 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 2.30 2.33 0.00 14 M 7.88 4.61 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 15 Q 7.89 4.30 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 16 R 7.42 4.07 0.00 2.04 1.96 0.00 3.12 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 17 R 8.15 4.37 0.00 1.82 2.07 0.00 3.56 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.49 0.00 18 A 7.52 4.04 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 19 D 7.65 4.60 0.00 2.72 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 20 Q 7.72 4.23 0.00 2.39 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.62 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 21 L 7.91 4.26 0.00 1.77 1.68 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 22 A 7.41 4.47 1.37 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 0.00 0.00 23 D 7.68 4.31 0.00 2.87 2.71 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 0.00 0.00 0.00 24 E 8.02 4.30 0.00 2.00 1.98 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 2.35 2.51 0.00 25 S 7.81 4.43 0.00 3.86 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 26 L 7.42 4.24 0.00 2.05 1.64 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 27 E 8.11 4.29 0.00 2.28 1.94 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 2.30 2.35 0.00 28 S 8.03 4.32 0.00 4.13 4.14 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 29 T 7.60 4.04 4.47 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 1.29 0.00 0.00 30 R 7.23 4.12 0.00 2.06 1.94 0.00 3.18 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 1.57 1.88 0.00 31 R 7.77 4.02 0.00 1.81 1.99 0.00 3.16 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 32 M 8.21 4.19 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 33 L 7.42 3.94 0.00 2.00 1.86 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.89 4.97 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.25 0.00 35 L 7.75 4.10 0.00 1.88 1.70 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.58 3.75 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 0.95 0.00 0.00 0.97 0.00 0.00 37 E 7.70 4.02 0.00 2.09 1.99 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 2.33 2.43 0.00 38 E 8.16 4.07 0.00 2.05 1.99 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 2.33 2.49 0.00 39 S 7.62 4.16 0.00 4.17 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 40 K 8.46 3.82 0.00 1.85 2.00 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.47 7.81 41 D 8.77 4.32 0.00 2.68 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 42 A 8.03 4.32 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 43 G 7.38 3.82 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 0.00 0.00 0.00 44 I 8.13 3.71 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.92 0.91 0.00 0.00 45 R 7.98 3.95 0.00 1.87 1.98 0.00 3.13 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 1.65 1.85 0.00 46 T 7.87 3.90 4.42 0.00 0.00 0.00 0.00 0.00 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 47 L 7.78 4.01 0.00 1.89 1.70 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 V 8.12 3.68 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 0.91 0.00 0.00 0.93 0.00 0.00 49 M 8.04 4.04 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 50 L 7.72 4.29 0.00 1.80 1.73 0.92 1.22 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 51 D 7.87 4.24 0.00 2.75 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.86 3.96 0.00 2.13 1.99 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 2.33 2.53 0.00 53 Q 8.67 4.08 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 54 G 7.64 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 55 E 8.16 4.43 0.00 2.20 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 2.32 2.34 0.00 56 Q 8.05 4.02 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 57 L 8.16 4.18 0.00 1.74 1.71 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.04 4.45 0.00 2.83 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 4.01 0.00 1.99 1.98 0.00 3.12 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 60 V 7.52 3.60 2.22 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 0.79 0.00 0.00 0.99 0.00 0.00 61 E 7.91 4.08 0.00 2.17 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 2.31 2.35 0.00 62 E 8.28 4.09 0.00 2.28 2.01 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 2.35 2.48 0.00 63 G 8.22 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 M 7.93 4.39 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.88 0.00 65 N 8.05 4.43 0.00 2.86 2.85 0.00 0.00 6.79 8.16 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 66 H 8.84 4.04 0.00 3.36 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.30 3.70 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.59 0.92 0.00 0.00 68 N 8.32 4.33 0.00 2.92 2.85 0.00 0.00 6.95 6.68 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 69 Q 7.99 4.29 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 70 D 7.88 4.55 0.00 2.85 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 71 M 8.21 4.10 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.87 0.00 72 K 7.42 4.07 0.00 2.05 1.87 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.47 1.60 7.81 73 E 7.76 4.05 0.00 2.12 2.15 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 2.30 2.36 0.00 74 A 7.83 4.15 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 75 E 7.76 4.14 0.00 2.17 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 2.32 2.31 0.00 76 K 7.63 4.31 0.00 1.86 1.93 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 77 N 8.01 4.61 0.00 2.75 2.85 0.00 0.00 6.89 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.66 4.27 0.00 1.73 1.72 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.95 4.10 0.00 1.95 1.95 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.46 7.81 80 D 7.99 4.55 0.00 2.72 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 81 L 7.23 4.52 0.00 1.63 1.59 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.11 4.36 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 0.00