NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3595 8.1233 123.5833 51.9824 20.1597 177.8159 2 D 4.2619 8.6437 123.6913 56.7772 40.8078 176.9841 3 D 4.3488 8.5519 121.0907 57.2699 41.3508 177.9109 4 A 3.9831 8.0994 120.6663 55.9200 18.2770 179.8010 5 T 3.9410 7.8376 113.1323 66.4806 68.5110 177.2329 6 S 4.1225 8.0208 117.3147 61.5746 62.7183 176.5181 7 Q 3.9272 7.8668 120.0835 59.0542 28.5423 178.7790 8 A 3.6497 7.7842 121.3407 54.9442 18.3285 179.7637 9 K 4.0089 8.2787 116.6663 59.7222 32.3069 179.2943 10 A 4.0016 7.8576 120.1851 55.2755 18.2976 179.5522 11 A 3.9309 7.7228 119.1958 55.2967 18.4005 179.9131 12 F 4.5464 8.0798 116.3499 60.7112 38.8895 177.6567 13 D 4.4270 8.3569 118.7788 57.5280 40.6639 178.8819 14 S 4.1763 8.0491 115.4398 61.6807 62.8039 176.8406 15 L 4.1943 8.1150 121.6594 58.1164 41.3452 179.7462 16 T 3.9546 8.2042 115.6255 66.4438 68.3810 176.6925 17 A 4.0498 8.1126 122.8263 55.2090 18.3464 179.5189 18 Q 4.1975 8.5180 117.6807 58.6090 28.8313 179.1029 19 A 4.0642 8.0891 121.5710 55.5999 18.3879 179.8753 20 T 3.9940 8.0532 114.2409 66.4928 68.0223 177.0138 21 E 3.9509 8.2456 120.6844 59.6942 29.7061 179.2039 22 M 4.2984 8.1086 118.5788 58.8041 32.1127 178.9115 23 S 4.1806 8.2506 115.3130 61.5799 62.9381 177.1057 24 G 3.7191 8.2789 108.3461 48.2425 0.0000 175.2945 25 Y 4.2904 7.6221 119.1915 60.6773 37.8981 178.8262 26 A 3.9486 7.9786 121.5730 54.7234 18.4201 179.6257 27 W 4.1436 8.0778 117.3069 59.9769 29.2094 178.6286 28 A 4.0862 8.1610 120.6421 54.9208 17.8387 179.4077 29 L 3.9267 8.2284 119.0639 58.4590 42.2743 179.4808 30 V 3.7150 7.8012 117.4256 65.1588 31.3605 177.9037 31 V 3.6469 7.9981 118.6423 66.4619 31.3637 178.0380 32 L 4.0676 7.8563 117.8967 57.5514 41.4174 179.7044 33 V 3.5915 7.8040 118.3588 66.0378 31.4659 178.3414 34 V 3.7701 8.0816 118.1507 65.7170 31.3080 178.1613 35 G 3.6476 8.3585 105.5739 47.6638 0.0000 175.3285 36 A 4.0390 7.9787 123.1359 55.4855 18.4291 179.9705 37 T 3.9009 7.9705 114.1469 66.5471 68.4742 177.3442 38 V 3.7189 8.1440 120.5133 65.9638 31.5956 178.0319 39 G 3.7083 8.0741 105.4049 48.0617 0.0000 175.3473 40 I 3.8844 7.9518 122.8111 64.0639 37.2839 178.8617 41 K 4.1354 8.3002 118.9122 59.3165 31.8011 179.4681 42 L 4.1488 8.0928 119.5423 57.5433 41.5650 179.2547 43 F 3.9737 8.2296 117.9510 60.8088 39.0665 177.9167 44 K 4.1036 8.2616 117.7107 59.2546 31.7744 179.5192 45 K 4.0064 8.2829 118.9158 59.7147 32.0435 179.1765 46 F 4.1822 8.6267 117.9442 60.5611 38.6146 177.5575 47 V 3.6276 7.9473 117.5681 66.6492 31.0893 178.4145 48 S 4.1988 7.9031 113.1302 61.3819 62.6851 176.8708 49 R 4.0217 7.9685 120.0562 59.2764 29.9963 178.7932 50 A 4.1497 7.7970 118.5384 54.5567 18.3834 177.5427 51 S 4.2736 7.6499 117.9993 58.9097 62.9326 174.0300 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 A 8.12 4.36 1.29 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 0.00 0.00 0.00 2 D 8.64 4.26 0.00 2.79 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 3 D 8.55 4.35 0.00 2.68 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.10 3.98 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.84 3.94 4.26 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 1.26 0.00 0.00 6 S 8.02 4.12 0.00 4.05 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 7 Q 7.87 3.93 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 8 A 7.78 3.65 1.22 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 0.00 0.00 0.00 9 K 8.28 4.01 0.00 2.02 1.92 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.75 7.81 10 A 7.86 4.00 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 11 A 7.72 3.93 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 12 F 8.08 4.55 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.36 4.43 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.18 0.00 3.91 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 15 L 8.11 4.19 0.00 1.85 1.81 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.20 3.95 4.28 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 1.23 0.00 0.00 17 A 8.11 4.05 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 18 Q 8.52 4.20 0.00 2.40 2.21 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 2.42 2.39 0.00 19 A 8.09 4.06 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 20 T 8.05 3.99 4.28 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 1.27 0.00 0.00 21 E 8.25 3.95 0.00 2.25 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 0.00 2.35 2.53 0.00 22 M 8.11 4.30 0.00 2.13 2.16 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 2.70 2.65 0.00 23 S 8.25 4.18 0.00 4.02 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.28 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 7.62 4.29 0.00 3.14 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 26 A 7.98 3.95 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 27 W 8.08 4.14 0.00 3.48 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 28 A 8.16 4.09 1.40 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 0.00 0.00 29 L 8.23 3.93 0.00 1.92 1.70 0.93 0.75 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 30 V 7.80 3.72 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 0.96 0.00 0.00 0.88 0.00 0.00 31 V 8.00 3.65 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 1.02 0.00 0.00 1.10 0.00 0.00 32 L 7.86 4.07 0.00 1.78 1.72 0.96 0.94 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 33 V 7.80 3.59 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 34 V 8.08 3.77 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 0.99 0.00 0.00 0.99 0.00 0.00 35 G 8.36 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 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 37 T 7.97 3.90 4.27 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 0.00 0.00 0.00 1.24 0.00 0.00 38 V 8.14 3.72 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 1.04 0.00 0.00 0.98 0.00 0.00 39 G 8.07 3.71 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 0.00 0.00 0.00 40 I 7.95 3.88 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 0.91 0.00 0.00 41 K 8.30 4.14 0.00 1.88 1.91 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.69 1.66 7.81 42 L 8.09 4.15 0.00 1.84 1.79 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.23 3.97 0.00 3.26 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 44 K 8.26 4.10 0.00 2.00 1.93 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.67 7.81 45 K 8.28 4.01 0.00 2.05 1.91 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.82 1.68 7.81 46 F 8.63 4.18 0.00 3.19 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.95 3.63 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 1.08 0.00 0.00 1.08 0.00 0.00 48 S 7.90 4.20 0.00 3.95 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 49 R 7.97 4.02 0.00 1.71 1.91 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 50 A 7.80 4.15 1.35 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 51 S 7.65 4.27 0.00 4.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00