NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9337 8.3544 109.7373 45.7119 0.0000 172.3583 2 S 4.2333 8.2525 113.1565 55.9896 64.8338 171.5405 3 S 4.7009 8.7046 123.0773 57.2833 65.0653 171.6062 4 G 3.9739 8.0806 119.9378 45.0863 0.0000 174.9743 5 S 4.0858 9.0526 120.4135 58.2863 62.8901 174.9626 6 S 4.3874 8.4385 116.7823 57.0188 62.2074 174.8986 7 G 3.9614 8.3208 117.1502 45.5617 0.0000 170.3862 8 S 4.5502 8.3864 113.6996 58.6498 64.6295 173.9403 9 T 3.4409 8.2400 117.1299 63.1312 65.5602 173.1273 10 Q 4.3535 7.8475 123.2016 54.8247 27.7332 173.2442 11 T 4.4808 7.9350 116.6158 64.3965 71.6465 176.3202 12 D 4.3631 8.1111 120.5054 56.2622 39.6961 177.8525 13 K 3.7998 7.6521 120.0232 59.2365 32.2482 177.5460 14 A 4.1964 8.1342 119.9970 55.4088 18.2474 179.2115 15 L 3.9632 7.5074 117.2238 58.4307 41.7792 179.1304 16 Y 4.4230 8.4624 119.8040 61.0826 38.4858 177.9408 17 N 4.2192 7.7734 115.7445 56.5258 38.7924 176.9080 18 R 4.0854 8.0047 117.4839 59.5587 30.2865 178.3830 19 L 4.2742 7.7248 116.7232 56.8877 42.8971 179.4307 20 V 4.2233 7.3941 120.9008 59.6086 30.3165 172.9920 21 P 4.4759 0.0000 0.0000 61.6908 32.4877 176.6968 22 L 4.5675 8.1250 119.2422 53.3897 42.6029 175.2782 23 V 4.2796 8.2195 118.0914 61.8469 33.7627 176.6737 24 N 4.6195 8.1703 115.1809 52.7712 38.4726 176.1373 25 G 3.8620 9.0468 105.5526 45.5619 0.0000 174.3477 26 V 4.1642 7.0669 119.3994 60.1393 33.6358 174.0570 27 R 4.1009 8.4908 125.0888 55.9370 30.3827 176.1215 28 E 4.4523 8.3492 123.0093 54.4608 33.6821 175.4134 29 F 5.3536 7.5392 123.2278 57.4890 40.0253 174.2933 30 S 4.8783 8.6898 114.1469 55.9826 66.2306 175.1958 31 E 3.9362 8.7987 120.2728 59.5713 28.5098 179.5725 32 I 3.8713 7.5568 119.7173 64.2704 37.9442 177.4294 33 Q 4.2750 8.0444 118.1642 59.5329 28.5533 178.3964 34 L 3.6457 8.0673 119.7009 57.8031 41.4195 179.4709 35 S 4.0190 7.6408 112.7094 61.5899 62.6230 176.6706 36 R 4.2041 7.7809 120.2958 58.5909 30.1889 178.6635 37 L 3.8950 7.9736 119.1523 57.6005 41.5280 179.3394 38 K 3.7629 8.0298 117.9545 59.7709 31.7649 178.7395 39 K 3.8543 7.2650 116.2191 60.0023 32.1121 178.9124 40 L 4.2163 7.6832 117.6610 56.3417 41.4939 178.2218 41 G 4.1234 8.1473 106.9139 45.5848 0.0000 174.3002 42 I 4.1529 7.3702 121.6044 60.0860 36.3670 175.9577 43 H 4.5724 8.3160 126.8561 54.8418 27.1263 175.3871 44 K 4.7783 7.4761 118.1713 55.0021 35.2737 176.3333 45 T 4.5730 8.5732 117.1583 65.2216 70.7924 174.5642 46 D 4.6486 7.7773 120.8779 52.7478 41.7295 175.5626 47 P 5.0046 0.0000 0.0000 64.2169 31.0501 177.9734 48 S 4.2933 7.8747 116.1404 62.0006 62.9631 176.6003 49 T 4.1471 7.9697 108.5288 64.3750 68.5362 174.7148 50 L 4.1222 7.1693 121.3332 55.1997 42.4509 176.2492 51 T 4.6592 7.8685 114.7358 59.7753 70.6449 174.7554 52 E 3.7943 8.6696 125.9268 59.5648 29.1593 179.5624 53 E 3.9033 8.1488 118.7009 59.4320 29.7889 178.6723 54 E 4.0015 8.6483 118.8698 59.2248 29.5800 179.1965 55 V 3.6349 7.7474 118.0566 66.2235 31.4754 177.9679 56 R 3.9645 8.2467 115.8729 59.2964 29.0817 178.9839 57 K 3.9386 7.7389 118.5817 59.4273 31.9850 179.1019 58 F 4.3758 8.6476 119.4626 61.1621 39.4045 176.6287 59 A 3.8901 8.1442 120.3886 54.6092 18.2662 179.3174 60 R 3.7910 7.9291 116.1366 59.6551 30.3316 178.6937 61 L 4.2017 7.4363 117.3832 57.2581 40.1499 176.3149 62 N 4.5162 7.6789 117.8504 51.7881 38.7909 173.9427 63 I 4.3016 7.9317 127.0095 59.3445 38.7493 175.4790 64 D 4.6263 8.3288 125.9990 52.9205 41.6802 176.1387 65 P 4.0136 0.0000 0.0000 65.6346 31.8402 177.7051 66 A 4.1167 8.1711 121.3397 54.4981 18.8383 177.7281 67 T 4.4742 7.0327 104.3661 60.1361 67.9590 174.1897 68 I 3.8419 7.5205 123.5617 61.4182 37.0189 175.6399 69 T 4.4440 8.0850 120.5990 59.9191 68.3077 174.3389 70 W 4.4452 8.9694 130.0858 55.1835 28.1895 176.5478 71 Q 4.1648 8.4285 121.1103 56.0035 27.9827 177.9296 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 G 8.35 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 0.00 0.00 0.00 2 S 8.25 4.23 0.00 3.87 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 3 S 8.70 4.70 0.00 3.87 3.75 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 4 G 8.08 3.97 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 5 S 9.05 4.09 0.00 3.99 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 6 S 8.44 4.39 0.00 4.01 3.97 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 7 G 8.32 3.96 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 0.00 0.00 0.00 8 S 8.39 4.55 0.00 3.98 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 9 T 8.24 3.44 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 10 Q 7.85 4.35 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.37 6.62 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 11 T 7.94 4.48 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 12 D 8.11 4.36 0.00 2.95 2.91 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 13 K 7.65 3.80 0.00 1.78 1.95 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.60 7.81 14 A 8.13 4.20 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 15 L 7.51 3.96 0.00 1.95 1.74 0.93 0.71 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 16 Y 8.46 4.42 0.00 3.15 3.20 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 17 N 7.77 4.22 0.00 2.90 2.89 0.00 0.00 7.13 7.60 0.00 0.00 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 R 8.00 4.09 0.00 1.96 2.01 0.00 3.22 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 19 L 7.72 4.27 0.00 1.90 2.00 0.61 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.39 4.22 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.86 0.00 0.00 21 P 0.00 4.48 0.00 2.20 2.05 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 22 L 8.12 4.57 0.00 1.52 1.57 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 23 V 8.22 4.28 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 0.80 0.00 0.00 0.92 0.00 0.00 24 N 8.17 4.62 0.00 2.72 2.80 0.00 0.00 7.09 8.48 0.00 0.00 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 G 9.05 3.86 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 0.00 0.00 0.00 26 V 7.07 4.16 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 0.72 0.00 0.00 0.89 0.00 0.00 27 R 8.49 4.10 0.00 1.61 1.74 0.00 3.14 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 28 E 8.35 4.45 0.00 1.73 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.26 0.00 29 F 7.54 5.35 0.00 3.05 2.84 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 30 S 8.69 4.88 0.00 3.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 3.94 0.00 2.19 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 2.38 2.43 0.00 32 I 7.56 3.87 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.43 0.94 0.00 0.00 33 Q 8.04 4.28 0.00 1.96 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.17 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 34 L 8.07 3.65 0.00 1.62 1.59 0.93 0.86 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 35 S 7.64 4.02 0.00 4.06 3.92 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 36 R 7.78 4.20 0.00 2.23 2.01 0.00 3.24 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 37 L 7.97 3.90 0.00 1.52 1.50 -0.24 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.03 3.76 0.00 1.79 1.84 0.00 1.53 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.49 7.81 39 K 7.27 3.85 0.00 2.07 1.91 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.22 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.56 7.81 40 L 7.68 4.22 0.00 1.83 1.74 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.15 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.37 4.15 1.80 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 1.80 0.62 0.92 0.00 0.00 43 H 8.32 4.57 0.00 3.09 3.30 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.48 4.78 0.00 1.74 1.77 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.45 7.81 45 T 8.57 4.57 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 46 D 7.78 4.65 0.00 2.69 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.00 0.00 2.23 1.70 0.00 3.18 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 48 S 7.87 4.29 0.00 4.04 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 49 T 7.97 4.15 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 1.23 0.00 0.00 50 L 7.17 4.12 0.00 2.21 1.68 0.99 1.07 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 51 T 7.87 4.66 4.23 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 0.00 0.00 1.26 0.00 0.00 52 E 8.67 3.79 0.00 2.02 1.96 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 2.35 2.38 0.00 53 E 8.15 3.90 0.00 2.02 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 2.38 2.41 0.00 54 E 8.65 4.00 0.00 2.07 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 2.33 2.47 0.00 55 V 7.75 3.63 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.32 0.00 0.00 56 R 8.25 3.96 0.00 2.05 2.23 0.00 2.82 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 57 K 7.74 3.94 0.00 2.14 1.94 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.62 7.81 58 F 8.65 4.38 0.00 2.85 3.36 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 59 A 8.14 3.89 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 60 R 7.93 3.79 0.00 1.97 1.99 0.00 3.18 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 61 L 7.44 4.20 0.00 1.77 1.82 0.87 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 62 N 7.68 4.52 0.00 2.40 2.62 0.00 0.00 6.91 7.43 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 63 I 7.93 4.30 1.73 0.00 0.00 0.66 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 0.84 0.70 0.00 0.00 64 D 8.33 4.63 0.00 2.67 2.54 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 65 P 0.00 4.01 0.00 2.18 2.17 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 66 A 8.17 4.12 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 67 T 7.03 4.47 4.23 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 0.00 0.00 1.21 0.00 0.00 68 I 7.52 3.84 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.80 0.00 0.00 69 T 8.08 4.44 4.25 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 0.00 0.00 1.25 0.00 0.00 70 W 8.97 4.45 0.00 3.28 3.25 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 0.00 0.00 0.00 71 Q 8.43 4.16 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00