NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4748 8.3193 115.4153 57.6183 64.5995 173.7692 2 S 4.1416 8.2869 116.2683 58.1607 64.6768 173.7242 3 N 4.4142 9.1734 122.8455 56.4992 38.7656 178.6877 4 A 4.0520 8.0458 121.6447 55.2201 18.5360 179.7247 5 K 3.9744 8.0854 116.8604 59.5419 32.1574 179.4454 6 F 3.9841 8.4937 120.9835 61.3877 39.3601 176.8496 7 D 4.5638 8.7777 120.3081 56.7967 40.5429 178.5724 8 Q 3.9496 8.1387 120.0883 59.0970 29.0239 178.2205 9 F 4.1423 8.0879 121.8778 61.2699 39.0096 177.2821 10 S 3.5529 8.0342 114.5568 61.2289 62.7351 176.6183 11 S 4.0959 8.0932 117.9121 61.0868 62.7519 176.1205 12 D 4.3108 8.1366 122.6202 57.1862 40.5234 178.5548 13 F 3.8764 8.0930 121.3928 61.2816 39.2993 177.0602 14 Q 3.9753 8.2387 117.9682 59.1315 28.4483 179.0401 15 T 3.8077 7.9354 110.7872 64.7078 68.7135 176.3613 16 F 4.0670 8.0457 123.5706 60.8757 39.3364 176.4661 17 N 3.7033 7.9094 116.7920 56.4640 38.6615 176.6245 18 A 3.8997 7.9208 122.0133 55.1167 18.4659 179.7481 19 K 3.8791 8.0252 117.0648 59.5118 32.0590 179.3968 20 F 3.8038 8.1638 121.3243 61.1131 39.2392 176.8126 21 D 4.3171 8.2411 118.7340 57.5181 40.5776 178.6164 22 Q 3.9078 8.0824 119.8792 59.1382 28.9571 178.1659 23 F 4.2842 8.2218 121.7427 61.2596 39.3911 177.0339 24 S 3.4561 7.9144 113.1847 61.1949 62.0523 175.9804 25 N 4.2841 7.9782 119.1835 56.3128 38.1959 177.0426 26 D 4.3220 8.2735 120.7059 57.4152 40.8693 178.7754 27 F 3.9744 8.1373 121.4210 61.3068 39.3649 177.0403 28 N 4.3030 8.3610 115.8938 55.8638 38.1587 177.3896 29 A 3.9102 8.0304 122.6577 54.9263 18.4823 179.2060 30 F 4.0481 8.2694 119.4514 61.6398 39.3281 177.3499 31 R 3.3288 7.6524 117.7983 59.1825 29.7989 178.9572 32 S 4.1141 7.8726 112.5663 61.4972 62.3633 175.8154 33 D 4.3180 8.1959 121.9171 57.4084 40.5239 178.7281 34 F 3.8600 8.1525 121.3775 61.2330 39.2825 177.1609 35 Q 3.9113 8.2663 117.6616 58.8318 28.4988 178.7655 36 A 3.8936 8.0412 121.7640 54.9895 18.4048 179.3936 37 F 4.0461 8.1828 119.2680 61.3523 39.4540 177.1267 38 K 3.2716 7.7793 119.5053 59.5431 31.8483 178.4572 39 D 4.2905 8.1132 119.1938 57.1506 40.6310 178.2448 40 D 4.2595 7.9205 118.8034 57.1422 41.1861 178.0671 41 F 3.8264 8.2317 121.5215 60.9263 39.3041 176.9390 42 A 3.9504 8.0414 120.5751 55.0576 18.1779 179.4758 43 R 3.7559 8.0257 117.1961 59.4912 30.1486 178.3689 44 F 4.0968 8.1824 120.4341 61.3414 39.2894 176.4613 45 N 3.6751 7.9636 116.8822 56.5765 38.6316 176.5618 46 Q 3.8650 8.0109 120.8202 59.1549 29.1103 178.3298 47 R 3.8560 7.9186 119.1030 59.1323 30.1197 178.7458 48 F 3.9484 8.2335 120.6466 61.3406 39.3670 176.6004 49 D 4.2517 8.2041 117.7049 57.1484 41.0428 177.7085 50 N 4.1851 8.2282 117.5961 56.6273 39.0481 176.4832 51 F 4.1134 8.2329 121.7621 61.4522 39.2738 177.0280 52 A 3.5312 7.7252 119.0689 54.9043 18.1257 179.5814 53 T 3.8438 7.6763 114.5320 66.8346 68.3624 177.2068 54 K 3.8676 7.6285 118.4758 58.3057 31.9648 177.5333 55 Y 4.2450 6.9873 115.5290 57.1788 38.3124 175.8852 56 R 4.0215 7.3554 122.8403 56.5186 29.4014 176.2502 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 S 8.32 4.47 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.29 4.14 0.00 4.18 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 3 N 9.17 4.41 0.00 2.80 2.97 0.00 0.00 6.82 7.46 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 4 A 8.05 4.05 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 5 K 8.09 3.97 0.00 2.08 1.93 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 6 F 8.49 3.98 0.00 3.28 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 4.56 0.00 2.94 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 8 Q 8.14 3.95 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 9 F 8.09 4.14 0.00 3.00 2.85 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 0.00 0.00 0.00 0.00 10 S 8.03 3.55 0.00 3.94 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 11 S 8.09 4.10 0.00 4.05 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 12 D 8.14 4.31 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.09 3.88 0.00 2.45 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 14 Q 8.24 3.98 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.64 0.00 15 T 7.94 3.81 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 1.26 0.00 0.00 16 F 8.05 4.07 0.00 3.03 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 17 N 7.91 3.70 0.00 2.55 2.72 0.00 0.00 7.14 7.35 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 18 A 7.92 3.90 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 19 K 8.03 3.88 0.00 1.90 1.86 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 20 F 8.16 3.80 0.00 2.42 2.86 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 0.00 0.00 0.00 0.00 21 D 8.24 4.32 0.00 2.86 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 22 Q 8.08 3.91 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 23 F 8.22 4.28 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.91 3.46 0.00 3.50 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 25 N 7.98 4.28 0.00 2.93 2.80 0.00 0.00 7.02 8.24 0.00 0.00 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 8.27 4.32 0.00 2.80 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 27 F 8.14 3.97 0.00 2.41 2.82 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 28 N 8.36 4.30 0.00 2.86 2.81 0.00 0.00 6.92 6.99 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 29 A 8.03 3.91 1.36 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 30 F 8.27 4.05 0.00 3.06 2.98 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 0.00 0.00 0.00 31 R 7.65 3.33 0.00 1.83 1.80 0.00 3.39 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.14 0.00 32 S 7.87 4.11 0.00 3.83 3.94 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 33 D 8.20 4.32 0.00 2.82 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 34 F 8.15 3.86 0.00 2.44 2.81 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 35 Q 8.27 3.91 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 36 A 8.04 3.89 1.36 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 37 F 8.18 4.05 0.00 3.03 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 38 K 7.78 3.27 0.00 1.33 1.69 0.00 1.83 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.40 7.81 39 D 8.11 4.29 0.00 2.78 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.92 4.26 0.00 2.89 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 41 F 8.23 3.83 0.00 2.53 2.85 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 0.00 0.00 0.00 0.00 42 A 8.04 3.95 1.36 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 43 R 8.03 3.76 0.00 1.86 2.12 0.00 3.09 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 44 F 8.18 4.10 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 N 7.96 3.68 0.00 2.55 2.74 0.00 0.00 6.92 7.08 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 46 Q 8.01 3.87 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 47 R 7.92 3.86 0.00 2.00 1.95 0.00 3.23 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 48 F 8.23 3.95 0.00 2.31 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 49 D 8.20 4.25 0.00 2.83 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 50 N 8.23 4.19 0.00 2.83 2.95 0.00 0.00 6.83 7.26 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 51 F 8.23 4.11 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 3.53 0.77 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 53 T 7.68 3.84 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 1.12 0.00 0.00 54 K 7.63 3.87 0.00 1.75 1.51 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.44 7.81 55 Y 6.99 4.24 0.00 2.13 2.63 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 0.00 0.00 0.00 0.00 56 R 7.36 4.02 0.00 1.82 2.08 0.00 3.01 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00