NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4533 8.3049 118.1944 54.5983 32.5734 175.0352 2 K 4.0716 8.3548 119.2425 55.9128 32.8349 175.2134 3 I 4.5959 7.7564 121.9115 59.2547 40.9002 175.9497 4 S 4.1397 8.8997 119.8903 60.9244 63.1382 174.7402 5 G 3.7724 8.1491 109.5556 45.9321 0.0000 173.2830 6 R 3.9478 8.6190 124.9326 58.2948 30.6407 176.3559 7 N 4.7362 8.0994 116.1607 51.9095 39.7916 174.5658 8 K 4.8406 8.5908 123.8871 54.4935 34.6255 175.8198 9 L 4.3292 8.7806 126.2325 52.6565 44.0793 176.1168 10 E 4.7755 9.2267 124.6649 56.1643 29.7275 175.6677 11 A 5.1441 9.1776 126.6409 50.3091 23.6027 174.0701 12 T 5.0427 8.4377 114.1374 61.6427 72.0637 174.5288 13 V 4.0553 8.9603 127.1759 63.2860 32.0073 176.3578 14 K 4.5144 9.2224 127.0742 57.5282 34.3514 176.1885 15 E 4.7947 7.7778 118.1942 55.0358 33.2236 174.0007 16 I 5.0940 8.2676 124.8663 59.5320 40.9804 174.6766 17 V 4.3308 8.7525 126.7701 61.0694 33.8666 174.1526 18 K 4.6368 8.8016 127.8740 55.2190 33.3456 176.7114 19 G 4.1756 8.4923 116.1366 44.3257 0.0000 172.9088 20 T 4.0363 8.5308 114.8567 65.9149 68.9413 175.2341 21 V 4.2604 7.9029 118.9285 64.0664 34.3243 175.5657 22 M 5.1475 7.9777 118.1460 53.6593 35.2308 174.8065 23 A 5.0983 9.0700 121.7874 50.1108 22.9992 174.9630 24 K 4.6847 9.0671 123.4869 55.3294 34.0801 175.3555 25 I 4.6198 8.8826 129.2900 59.6950 39.3285 174.6669 26 V 4.5311 8.7787 128.9335 62.1060 32.9086 174.8489 27 M 5.3132 9.2124 126.7526 53.6017 36.8645 173.5754 28 D 5.2258 9.0957 120.8295 52.8750 43.7113 174.3577 29 Y 4.6384 9.2755 127.8098 55.3400 40.6981 175.4304 30 K 3.6567 9.2752 129.1884 57.0745 29.8654 176.4549 31 G 3.9817 8.3669 107.0008 45.3359 0.0000 174.1429 32 T 4.4774 7.8649 117.3107 61.9214 69.9338 173.3590 33 E 4.7240 8.6606 127.0844 55.9692 30.5284 175.5008 34 L 4.9103 9.1311 126.6387 52.9562 45.3551 175.7015 35 V 4.8072 8.3076 120.5043 61.3255 34.1053 174.2591 36 A 4.8646 9.0629 129.7327 50.0189 22.0926 175.0364 37 A 5.2234 8.6296 122.5282 50.3386 21.0578 175.1994 38 I 4.7520 8.2779 114.9733 59.5205 41.9308 175.2314 39 T 4.5725 8.2874 111.6414 60.9941 69.7153 175.7504 40 I 3.7629 8.5227 117.6359 64.2072 37.4247 178.1624 41 D 4.3725 8.1441 120.3642 57.5953 40.5874 178.8508 42 S 4.1492 7.9192 115.0850 61.3702 62.7756 176.7752 43 V 3.5540 7.7324 120.3829 65.9028 31.1674 177.8374 44 A 3.9417 7.9626 120.4077 55.1813 18.0527 179.0860 45 D 4.2541 7.9419 115.2198 57.4559 41.4844 177.9445 46 L 4.1656 8.0386 116.6601 54.3409 42.5916 175.9550 47 D 4.3831 7.6969 117.5236 54.9365 40.0564 173.8592 48 L 4.3913 7.7539 117.8110 55.0247 42.7127 177.7321 49 V 4.5538 8.7389 115.0342 58.8160 35.9163 172.8075 50 P 4.5273 0.0000 0.0000 64.6787 31.5287 176.9955 51 G 4.0214 9.1460 111.3968 45.0941 0.0000 173.6725 52 D 4.5118 7.9357 120.7782 54.3323 41.9436 175.7291 53 K 4.7489 8.6019 122.9798 56.1372 33.0982 176.4905 54 V 4.5997 9.0653 117.7216 60.1688 37.0410 174.2102 55 T 4.9709 8.3499 117.1758 61.7553 70.5222 174.3212 56 A 4.2135 9.0462 130.2754 51.5648 19.7004 175.6922 57 L 5.1873 8.4717 124.0099 53.1545 45.0748 175.7077 58 V 4.4351 8.6561 125.4356 60.6561 34.9178 174.7711 59 K 4.2462 8.7247 128.6252 55.9844 33.0136 177.2023 60 A 3.9909 8.7551 128.4527 55.6208 18.3818 179.4786 61 T 4.0986 7.8623 103.3159 63.3903 69.1020 174.7041 62 E 4.5117 8.1089 121.1582 56.0691 29.8331 174.7901 63 M 4.5229 7.6391 119.6356 53.7497 33.6444 175.4925 64 E 4.4854 8.5443 125.5156 55.1551 31.3820 175.4311 65 V 4.4219 8.0535 119.0402 61.0271 33.9916 174.5830 66 L 4.8493 8.4078 126.0474 52.9034 44.5062 176.3236 67 K 4.1316 8.3299 121.8029 56.7746 32.4042 175.7507 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 8.30 4.45 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 2 K 8.35 4.07 0.00 1.85 1.78 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 I 7.76 4.60 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 1.47 0.74 0.92 0.00 0.00 4 S 8.90 4.14 0.00 3.97 3.99 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 5 G 8.15 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 6 R 8.62 3.95 0.00 1.80 1.99 0.00 3.36 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.58 0.00 7 N 8.10 4.74 0.00 2.78 2.69 0.00 0.00 6.68 7.82 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 8 K 8.59 4.84 0.00 1.56 1.70 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.47 7.81 9 L 8.78 4.33 0.00 1.24 0.55 0.68 0.25 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 10 E 9.23 4.78 0.00 2.01 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 2.36 2.39 0.00 11 A 9.18 5.14 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 12 T 8.44 5.04 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 1.26 0.00 0.00 13 V 8.96 4.06 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 0.94 0.00 0.00 0.99 0.00 0.00 14 K 9.22 4.51 0.00 1.61 1.82 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.55 1.50 7.81 15 E 7.78 4.79 0.00 2.01 1.73 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 2.28 2.34 0.00 16 I 8.27 5.09 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 1.23 0.79 0.91 0.00 0.00 17 V 8.75 4.33 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 1.06 0.00 0.00 0.93 0.00 0.00 18 K 8.80 4.64 0.00 1.67 1.73 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 19 G 8.49 4.18 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 0.00 0.00 0.00 20 T 8.53 4.04 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 21 V 7.90 4.26 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 1.10 0.00 0.00 0.93 0.00 0.00 22 M 7.98 5.15 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 23 A 9.07 5.10 1.17 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 0.00 0.00 24 K 9.07 4.68 0.00 1.82 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.41 7.81 25 I 8.88 4.62 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 1.11 0.83 0.92 0.00 0.00 26 V 8.78 4.53 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 0.76 0.00 0.00 0.94 0.00 0.00 27 M 9.21 5.31 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.47 0.00 28 D 9.10 5.23 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.28 4.64 0.00 3.06 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 30 K 9.28 3.66 0.00 1.48 1.60 0.00 1.48 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.95 0.21 7.81 31 G 8.37 3.98 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 0.00 0.00 0.00 32 T 7.86 4.48 4.48 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 0.00 0.00 0.00 1.26 0.00 0.00 33 E 8.66 4.72 0.00 2.00 1.86 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 2.30 2.49 0.00 34 L 9.13 4.91 0.00 1.59 1.52 0.89 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.31 4.81 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 0.80 0.00 0.00 0.94 0.00 0.00 36 A 9.06 4.86 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 37 A 8.63 5.22 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.28 4.75 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 1.28 0.92 0.91 0.00 0.00 39 T 8.29 4.57 4.39 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 1.21 0.00 0.00 40 I 8.52 3.76 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 1.69 0.60 0.99 0.00 0.00 41 D 8.14 4.37 0.00 2.78 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 42 S 7.92 4.15 0.00 4.06 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 43 V 7.73 3.55 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 1.05 0.00 0.00 0.93 0.00 0.00 44 A 7.96 3.94 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 45 D 7.94 4.25 0.00 2.76 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 46 L 8.04 4.17 0.00 1.77 1.70 0.95 1.00 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 47 D 7.70 4.38 0.00 2.71 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 48 L 7.75 4.39 0.00 1.70 1.60 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.74 4.55 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 0.74 0.00 0.00 0.96 0.00 0.00 50 P 0.00 4.53 0.00 2.04 2.18 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 51 G 9.15 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.94 4.51 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 4.75 0.00 1.65 1.77 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.42 7.81 54 V 9.07 4.60 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 0.81 0.00 0.00 0.99 0.00 0.00 55 T 8.35 4.97 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 1.20 0.00 0.00 56 A 9.05 4.21 1.18 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 0.00 0.00 57 L 8.47 5.19 0.00 1.58 1.50 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.66 4.44 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 0.86 0.00 0.00 0.89 0.00 0.00 59 K 8.72 4.25 0.00 1.82 1.64 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.43 7.81 60 A 8.76 3.99 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 61 T 7.86 4.10 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 1.20 0.00 0.00 62 E 8.11 4.51 0.00 2.09 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 2.24 2.20 0.00 63 M 7.64 4.52 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 64 E 8.54 4.49 0.00 1.99 1.86 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 2.26 2.27 0.00 65 V 8.05 4.42 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 0.84 0.00 0.00 0.93 0.00 0.00 66 L 8.41 4.85 0.00 1.63 1.52 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.33 4.13 0.00 1.64 1.59 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81