NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4467 8.1633 120.3268 54.4407 33.6400 177.3481 2 K 3.5749 8.1040 116.2294 59.9386 32.2843 176.2789 3 A 4.1360 8.4920 128.0288 54.6942 20.5915 179.6654 4 K 3.8921 8.2836 116.5562 59.8468 32.1245 177.6830 5 E 4.1299 7.7622 116.6109 58.7695 29.7270 177.6785 6 L 4.0714 8.0795 119.3352 55.7713 42.3363 177.9566 7 R 4.1616 8.7507 120.8656 56.7986 29.9099 177.9365 8 E 4.0089 7.6442 116.0684 57.1565 29.8307 174.6118 9 K 3.8235 7.5863 123.3138 55.2250 32.8906 176.1731 10 S 4.0635 8.7065 117.4295 62.0017 62.3370 176.8870 11 V 3.5504 7.8165 120.5075 65.7462 31.2275 177.3261 12 E 4.4805 7.6942 116.0961 57.3974 29.7759 178.7151 13 E 4.0943 8.1732 119.5516 59.2876 29.6071 178.6362 14 L 3.9494 8.0323 118.8322 58.2225 41.5667 179.4538 15 N 4.4123 8.1399 115.8755 56.7343 36.7254 176.0956 16 T 3.9172 7.9253 118.3819 66.6255 68.4383 175.8914 17 E 4.5097 8.0120 120.6645 58.7967 29.7109 178.7611 18 L 3.9100 7.8339 121.3996 58.3795 40.6068 178.9272 19 L 4.0179 7.9126 118.4834 58.0453 41.5599 178.9364 20 N 4.9915 7.6547 116.7131 56.4956 38.5466 177.0467 21 L 4.2722 8.2785 120.2052 55.9950 41.6724 175.9783 22 L 3.8865 8.1135 128.4605 56.1281 42.1016 176.9263 23 R 4.5768 8.9000 129.3834 57.5847 28.5228 178.1953 24 E 4.2527 7.4793 117.1106 59.8571 29.2929 178.8406 25 Q 4.0261 8.3714 118.4184 59.3119 29.4978 176.8858 26 F 4.0876 8.5047 121.8915 60.7804 38.8668 176.3811 27 N 4.1663 9.9572 116.6724 57.0904 38.5191 177.5499 28 L 3.8997 7.2592 118.0947 58.2527 41.9689 179.3887 29 R 3.8775 7.9686 117.7009 59.7426 29.9065 178.6989 30 M 3.8851 7.5811 117.2446 58.7488 32.2663 178.5602 31 Q 4.4057 9.3349 121.3941 57.8609 28.9103 177.7090 32 A 4.6587 8.4601 122.1664 52.3317 20.0016 178.1596 33 A 4.1969 7.8000 117.0410 53.5306 18.7191 177.9718 34 S 4.6842 7.9245 113.0692 57.9411 65.0813 176.1866 35 G 3.8094 8.0356 116.2480 45.9942 0.0000 179.7439 36 Q 2.7832 10.0699 123.0562 56.6005 29.1084 175.8491 37 L 3.8216 5.6200 132.8594 55.4909 41.1409 175.3247 38 Q 4.7272 8.5541 126.4554 56.2088 29.4950 176.3208 39 Q 4.7125 7.6932 116.8401 54.6180 29.1550 176.1945 40 S 4.1001 8.3151 117.8719 61.8037 63.6346 176.1371 41 H 4.0202 8.5616 119.0850 58.3175 27.4842 176.8870 42 L 3.7931 7.2634 120.2802 57.7907 41.5980 178.8314 43 L 4.0870 7.8636 117.0987 58.1140 41.1797 178.8029 44 K 3.8792 8.2434 119.2751 61.2949 32.1611 178.9345 45 Q 4.2975 8.7359 119.1052 56.3698 31.3636 175.2795 46 V 3.7613 8.5027 123.7996 65.2785 31.3259 174.9985 47 R 3.9092 7.2157 118.5578 59.5346 29.8611 179.2621 48 R 3.8919 7.9848 117.1649 59.2272 29.9525 178.2983 49 D 4.3232 8.0076 117.3817 57.5670 41.1108 178.1903 50 V 3.5463 8.2329 118.6655 66.4779 30.9366 177.1936 51 A 4.2320 8.2764 120.2468 55.1754 18.0265 179.3621 52 R 4.0519 8.8251 116.5817 58.6244 30.2063 179.2083 53 V 3.7425 7.7809 116.2973 66.3126 31.6287 178.0563 54 K 4.1185 8.7813 117.5347 59.5475 32.0296 179.2775 55 T 4.0035 9.0175 116.9213 66.6723 68.6160 175.4557 56 L 4.8756 8.6950 122.1341 54.7055 43.8661 178.2466 57 L 3.5024 8.4113 119.2672 56.4797 41.7147 173.9979 58 N 4.5293 7.9413 118.0694 54.1302 39.7288 176.0906 59 E 4.0746 8.0475 116.0487 59.4972 30.2178 179.8641 60 K 3.6152 7.7667 117.8408 59.3107 32.0743 175.8907 61 A 4.0517 7.9843 125.2232 53.3470 17.3670 176.9388 62 G 4.9727 7.4416 120.1360 46.9695 0.0000 171.0555 63 A 4.2842 8.0558 128.5527 51.8857 19.3078 176.9356 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 8.16 4.45 0.00 2.39 2.14 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 2 K 8.10 3.57 0.00 1.82 1.69 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.50 7.81 3 A 8.49 4.14 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.28 3.89 0.00 1.72 1.91 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.49 7.81 5 E 7.76 4.13 0.00 2.01 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 2.71 2.42 0.00 6 L 8.08 4.07 0.00 1.85 1.58 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 7 R 8.75 4.16 0.00 2.03 2.10 0.00 3.19 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 8 E 7.64 4.01 0.00 2.24 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 2.53 2.44 0.00 9 K 7.59 3.82 0.00 2.15 1.78 0.00 1.61 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 10 S 8.71 4.06 0.00 4.04 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 3.55 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 0.89 0.00 0.00 0.93 0.00 0.00 12 E 7.69 4.48 0.00 2.18 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 2.24 0.00 13 E 8.17 4.09 0.00 2.08 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 2.53 2.49 0.00 14 L 8.03 3.95 0.00 1.64 1.74 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.14 4.41 0.00 2.98 3.07 0.00 0.00 6.13 7.22 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 16 T 7.93 3.92 4.44 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 1.21 0.00 0.00 17 E 8.01 4.51 0.00 2.24 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 0.00 2.36 2.60 0.00 18 L 7.83 3.91 0.00 1.88 1.87 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.91 4.02 0.00 2.01 1.72 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 20 N 7.65 4.99 0.00 2.96 2.88 0.00 0.00 6.64 6.62 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 21 L 8.28 4.27 0.00 1.77 1.69 1.11 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.11 3.89 0.00 1.52 1.77 0.84 0.97 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 23 R 8.90 4.58 0.00 2.07 2.20 0.00 3.66 0.00 0.00 2.98 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 24 E 7.48 4.25 0.00 2.29 2.25 0.00 0.00 0.00 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 2.35 0.00 25 Q 8.37 4.03 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 26 F 8.50 4.09 0.00 3.13 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 27 N 9.96 4.17 0.00 2.99 2.92 0.00 0.00 7.16 6.62 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 28 L 7.26 3.90 0.00 1.79 1.71 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.97 3.88 0.00 1.93 1.70 0.00 3.15 0.00 0.00 3.09 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 30 M 7.58 3.89 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 31 Q 9.33 4.41 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 32 A 8.46 4.66 1.33 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 0.00 0.00 33 A 7.80 4.20 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 34 S 7.92 4.68 0.00 4.18 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 35 G 8.04 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 10.07 2.78 0.00 2.43 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.54 6.68 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 37 L 5.62 3.82 0.00 1.69 1.63 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.55 4.73 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 7.04 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 39 Q 7.69 4.71 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00 40 S 8.32 4.10 0.00 4.06 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 41 H 8.56 4.02 0.00 3.39 3.62 0.00 5.48 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 42 L 7.26 3.79 0.00 1.89 1.72 0.63 1.22 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 43 L 7.86 4.09 0.00 1.75 1.74 0.91 0.82 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 44 K 8.24 3.88 0.00 1.87 1.99 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.55 7.81 45 Q 8.74 4.30 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 5.68 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 46 V 8.50 3.76 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 1.01 0.00 0.00 1.00 0.00 0.00 47 R 7.22 3.91 0.00 2.28 1.96 0.00 3.19 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 48 R 7.98 3.89 0.00 1.85 1.99 0.00 3.29 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 49 D 8.01 4.32 0.00 2.85 2.68 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 50 V 8.23 3.55 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.01 0.00 0.00 51 A 8.28 4.23 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 52 R 8.83 4.05 0.00 1.98 2.03 0.00 3.16 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 53 V 7.78 3.74 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 0.83 0.00 0.00 1.05 0.00 0.00 54 K 8.78 4.12 0.00 1.86 1.86 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.64 7.81 55 T 9.02 4.00 4.43 0.00 0.00 0.00 0.00 0.00 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 56 L 8.69 4.88 0.00 1.72 1.63 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.41 3.50 0.00 1.75 1.93 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.94 4.53 0.00 2.89 2.89 0.00 0.00 6.73 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.05 4.07 0.00 2.36 2.23 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 2.30 2.51 0.00 60 K 7.77 3.62 0.00 1.83 1.94 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.61 7.81 61 A 7.98 4.05 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 62 G 7.44 4.97 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 0.00 0.00 0.00 63 A 8.06 4.28 1.20 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 0.00 0.00 0.00