NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2630 8.3044 120.3486 54.9058 33.3100 174.8615 2 E 3.8785 8.4602 121.9894 54.5739 28.5624 171.1205 3 V 3.7379 8.3851 127.6413 62.1054 33.3048 174.9174 4 A 3.9922 8.2661 126.8721 52.0073 18.4806 177.3397 5 M 4.1796 8.5838 123.7731 55.1417 31.5426 175.3407 6 V 4.3349 7.8398 125.1733 60.6682 34.1508 176.1653 7 S 4.2559 8.3314 119.3943 58.1295 61.1344 174.1900 8 A 4.2432 8.1111 128.4237 51.1206 16.4193 175.8788 9 E 4.6358 7.6805 120.2727 55.2430 32.8075 174.8913 10 S 4.2557 8.0190 117.8940 58.0881 63.2675 174.4262 11 S 4.3362 8.4816 120.4854 58.3729 64.3090 170.8376 12 G 3.9897 10.5168 115.4359 44.8093 0.0000 175.0749 13 C 4.2034 9.1914 115.7887 61.0033 25.8179 172.5149 14 N 4.7307 7.7813 109.8438 52.8524 39.0797 174.9921 15 S 3.5258 7.8293 116.1037 59.1052 59.6175 170.7332 16 H 4.6505 7.6583 123.9950 54.7460 29.3692 176.2007 17 M 3.8121 7.6622 119.0619 55.5530 32.9486 175.9911 18 P 4.1465 0.0000 0.0000 62.2966 33.2798 175.3049 19 Y 4.2963 7.5912 115.5390 58.9952 38.4239 174.5261 20 G 3.5824 9.0234 111.9829 45.7732 0.0000 174.9911 21 Y 4.0842 8.2483 121.5739 60.1473 38.9786 177.0303 22 A 4.0836 8.2108 121.2454 54.4325 18.3564 178.2038 23 A 4.3974 7.4627 117.0466 52.9220 19.3520 178.3210 24 Q 4.1748 7.8421 116.2174 56.0396 28.8158 177.3273 25 A 3.9147 7.4652 122.0556 54.7283 18.1884 179.6587 26 R 3.9255 7.8974 116.9618 59.2498 30.1084 178.2475 27 A 3.9750 8.0971 121.0092 54.8292 17.8309 179.5107 28 R 3.3705 7.5122 116.1579 59.3883 29.8517 178.1478 29 E 3.7611 7.6898 118.3598 58.3829 30.0158 178.0465 30 R 4.2546 7.6897 117.2904 58.2165 30.6223 178.1942 31 E 4.1051 9.1259 119.3668 58.7254 29.1644 179.0345 32 R 3.8996 7.3598 118.2280 58.8549 30.2595 177.4064 33 L 4.3123 7.8863 118.2110 55.8694 42.0970 177.2085 34 A 4.4280 7.7331 120.0135 53.3473 18.4864 177.5711 35 H 4.4955 7.9959 113.0414 56.8535 29.4025 176.1329 36 S 4.3572 7.6474 113.3989 59.5275 62.5601 174.3365 37 R 4.3352 7.8580 118.3146 56.1999 29.9351 176.5421 38 A 4.0446 8.1175 120.0573 55.4324 18.5766 179.3749 39 A 4.3063 7.6285 119.4295 51.1438 17.0314 176.5019 40 A 4.0364 7.8092 124.4839 52.7955 20.3681 178.4922 41 A 3.6595 7.6771 115.3587 53.2278 16.1244 177.3993 42 A 4.3663 7.5572 125.6853 54.3202 20.1961 178.8444 43 A 3.8921 8.0097 117.5913 55.0707 18.0019 178.9928 44 V 3.9272 7.7175 115.1711 64.3988 31.9466 177.4380 45 A 3.9858 7.9596 120.4890 55.3053 18.2195 179.2441 46 A 4.0475 7.8657 116.4613 55.7987 19.0418 178.1407 47 A 4.0777 7.4564 116.9905 53.3871 19.7638 176.6098 48 T 3.3256 8.4466 109.2478 64.0468 65.3583 172.1275 49 A 4.0195 7.7497 123.1388 52.6846 19.7428 177.6361 50 A 4.4265 8.2013 122.0037 52.1632 18.8322 178.4731 51 V 4.4569 7.2538 116.5612 62.5608 32.0691 173.4451 52 E 4.7022 8.8833 119.9530 53.8518 32.5246 175.9252 53 G 4.7585 9.3696 119.6807 46.8950 0.0000 169.9263 54 T 3.3514 7.6724 124.0745 62.0457 68.3943 171.4471 55 G 4.4043 8.3640 111.5822 44.1188 0.0000 172.5445 56 G 4.0320 7.4951 110.6974 43.0311 0.0000 171.8862 57 S 3.6971 9.0239 126.9437 56.5315 62.4687 171.2206 58 G 4.0835 8.0155 112.9388 45.8181 0.0000 171.6164 59 G 4.0099 7.6868 104.9632 45.9461 0.0000 172.7520 60 G 4.2192 8.4503 107.5248 43.2707 0.0000 171.7412 61 P 4.4890 0.0000 0.0000 62.0172 29.6466 174.0797 62 H 4.6249 7.9207 122.6377 56.8522 32.3039 170.7460 63 H 4.3944 8.5942 130.9912 56.5479 36.5889 173.2156 64 H 4.9382 8.6024 114.0857 53.6121 30.5759 174.4318 65 H 5.3714 7.6932 131.1357 56.1570 29.3490 173.5306 66 Q 4.5140 7.5201 123.8566 56.0535 32.0205 172.5998 67 T 4.5006 7.3050 114.5382 62.5259 72.2630 173.5305 68 R 4.5349 7.9401 119.5390 56.2757 33.6156 173.2666 69 G 4.2918 8.5161 120.7475 44.4607 0.0000 176.0062 70 A 4.3544 8.2729 121.3354 51.1061 21.3243 176.3580 71 Y 4.4698 8.7147 122.9349 57.5110 39.7321 174.8658 72 S 4.4699 6.9328 118.2610 57.3561 65.7139 171.4332 73 S 3.5508 8.4785 125.5930 58.5670 61.0539 170.7622 74 H 4.8488 8.5314 124.6228 54.0555 31.1959 174.4845 75 D 4.6729 9.0674 124.6685 55.1359 40.6484 176.7535 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 4.26 0.00 1.99 2.05 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 2.48 2.53 0.00 2 E 8.46 3.88 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 3 V 8.39 3.74 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 0.83 0.00 0.00 0.98 0.00 0.00 4 A 8.27 3.99 1.25 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 0.00 0.00 5 M 8.58 4.18 0.00 1.99 2.03 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 2.58 2.52 0.00 6 V 7.84 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 0.98 0.00 0.00 0.96 0.00 0.00 7 S 8.33 4.26 0.00 3.90 3.83 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 8 A 8.11 4.24 1.25 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 0.00 0.00 9 E 7.68 4.64 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 10 S 8.02 4.26 0.00 3.93 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.48 4.34 0.00 3.82 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 12 G 10.52 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 0.00 0.00 0.00 13 C 9.19 4.20 0.00 3.06 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 14 N 7.78 4.73 0.00 2.67 2.79 0.00 0.00 7.16 7.57 0.00 0.00 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 S 7.83 3.53 0.00 3.93 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 16 H 7.66 4.65 0.00 3.17 3.30 0.00 5.82 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 M 7.66 3.81 0.00 1.87 1.66 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.37 0.00 18 P 0.00 4.15 0.00 2.09 1.94 0.00 3.69 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 19 Y 7.59 4.30 0.00 3.02 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 20 G 9.02 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.25 4.08 0.00 3.02 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 22 A 8.21 4.08 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 23 A 7.46 4.40 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 24 Q 7.84 4.17 0.00 1.90 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.29 0.00 25 A 7.47 3.91 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 26 R 7.90 3.93 0.00 1.83 1.90 0.00 3.33 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 27 A 8.10 3.98 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 28 R 7.51 3.37 0.00 1.90 1.96 0.00 3.03 0.00 0.00 3.07 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 29 E 7.69 3.76 0.00 1.94 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 0.00 2.30 2.48 0.00 30 R 7.69 4.25 0.00 1.93 1.94 0.00 3.34 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 31 E 9.13 4.11 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 32 R 7.36 3.90 0.00 1.64 1.96 0.00 3.23 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 33 L 7.89 4.31 0.00 1.74 1.63 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.73 4.43 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 35 H 8.00 4.50 0.00 3.31 3.38 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.65 4.36 0.00 3.79 3.88 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 37 R 7.86 4.34 0.00 1.80 1.88 0.00 3.30 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 38 A 8.12 4.04 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 39 A 7.63 4.31 1.26 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 0.00 0.00 0.00 40 A 7.81 4.04 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 41 A 7.68 3.66 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 42 A 7.56 4.37 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 43 A 8.01 3.89 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 44 V 7.72 3.93 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 1.05 0.00 0.00 0.93 0.00 0.00 45 A 7.96 3.99 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 46 A 7.87 4.05 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 47 A 7.46 4.08 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 48 T 8.45 3.33 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 49 A 7.75 4.02 1.25 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 0.00 0.00 50 A 8.20 4.43 1.27 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 0.00 0.00 0.00 51 V 7.25 4.46 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 0.92 0.00 0.00 0.93 0.00 0.00 52 E 8.88 4.70 0.00 1.91 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 53 G 9.37 4.76 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 0.00 0.00 0.00 54 T 7.67 3.35 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 55 G 8.36 4.40 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 0.00 56 G 7.50 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.02 3.70 0.00 4.03 3.88 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 58 G 8.02 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.69 4.01 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 0.00 0.00 0.00 60 G 8.45 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 0.00 0.00 0.00 0.00 61 P 0.00 4.49 0.00 2.23 2.13 0.00 3.84 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.97 0.00 62 H 7.92 4.62 0.00 3.07 3.24 0.00 5.96 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.59 4.39 0.00 3.05 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.60 4.94 0.00 3.30 3.26 0.00 5.74 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.69 5.37 0.00 3.26 3.32 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 7.52 4.51 0.00 1.95 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 67 T 7.31 4.50 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 1.22 0.00 0.00 68 R 7.94 4.53 0.00 1.74 1.81 0.00 3.23 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 69 G 8.52 4.29 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 0.00 70 A 8.27 4.35 1.23 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 0.00 0.00 0.00 71 Y 8.71 4.47 0.00 2.80 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 72 S 6.93 4.47 0.00 3.57 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 8.48 3.55 0.00 3.88 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 74 H 8.53 4.85 0.00 3.16 3.19 0.00 5.77 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 9.07 4.67 0.00 2.77 2.66 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 0.00 0.00 0.00 0.00