NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6085 8.3649 120.2003 54.1006 42.3676 174.7145 2 R 4.5923 8.2196 121.9561 52.2747 33.1560 173.9388 3 I 3.8325 8.3975 117.7536 61.2039 39.2836 175.8269 4 C 4.7365 8.6229 125.5497 55.8508 37.8592 171.7770 5 T 4.6445 7.2933 112.4704 61.1986 73.0375 171.9997 6 N 4.5029 7.6895 115.9517 53.1298 39.9216 175.2620 7 C 3.9858 8.4122 114.3299 60.4008 40.4146 176.2572 8 A 3.8383 8.0131 120.5399 54.8659 18.3153 178.5560 9 A 4.2593 8.0761 117.9637 54.2289 18.8536 178.6451 10 G 3.8286 8.0272 105.9062 45.1763 0.0000 173.2662 11 T 4.4715 8.5879 119.4731 62.1968 69.1792 173.9853 12 K 5.1405 8.0219 126.8134 57.3290 32.5913 175.6824 13 G 4.1976 8.2912 114.9969 45.8607 0.0000 173.2099 14 C 4.8509 8.5447 118.1337 56.0901 37.1278 173.1698 15 K 5.0043 9.4289 124.2583 55.7185 33.5054 175.2131 16 Y 5.0243 9.2922 123.9418 56.8835 39.7305 175.0481 17 F 5.3275 9.7083 122.3534 55.6588 43.1097 175.3515 18 S 4.7228 9.0952 117.7675 57.4230 63.9360 175.3840 19 D 4.2573 8.3793 120.4759 56.3543 39.4969 177.5902 20 D 4.4445 8.0560 118.9996 56.1546 39.5924 175.7883 21 G 3.5467 7.2168 109.6227 45.2377 0.0000 174.0714 22 T 4.0835 8.6784 120.2388 63.2846 68.9426 173.4313 23 F 4.2140 8.8048 128.6956 58.1159 39.5538 174.5116 24 V 3.7068 7.4374 129.9730 63.0516 31.1967 173.1009 25 C 4.2214 6.4742 112.0154 54.4003 44.1796 171.6006 26 E 4.9611 8.9438 122.0681 55.5512 30.4907 176.3853 27 G 3.8291 9.7305 114.3651 45.8961 0.0000 173.6093 28 E 4.9269 8.3447 123.9390 54.5995 30.2233 175.7193 29 S 4.3410 8.0295 113.5659 57.3609 64.2852 173.2523 30 D 4.6438 8.6149 124.4418 53.9516 41.4621 173.9149 31 P 4.8417 0.0000 0.0000 63.6075 32.2956 176.7582 32 R 4.4232 8.2546 116.9223 58.7630 32.7606 176.2990 33 N 4.5306 8.8283 114.2012 51.3203 38.1492 173.1442 34 P 4.1803 0.0000 0.0000 62.3677 30.9186 176.4925 35 K 4.0093 8.5266 123.7016 57.0156 31.8434 175.9880 36 A 4.6330 8.4402 124.4542 53.6947 24.3813 177.0991 37 A 4.1032 8.1289 116.7987 55.1386 18.5771 177.3139 38 P 4.6682 0.0000 0.0000 61.8970 29.3546 176.7583 39 R 4.4162 7.3592 119.6249 55.4550 31.1829 174.3130 40 N 4.6194 8.1862 113.5409 51.6473 38.5041 175.2033 41 C 4.2761 8.6769 119.9066 56.9118 36.1828 172.5235 42 D 4.7183 8.5358 125.2389 52.1473 41.0006 176.1615 43 P 4.7082 0.0000 0.0000 62.0199 30.5776 177.3348 44 R 4.5126 7.4219 116.7873 56.9443 34.3524 174.9394 45 I 4.1409 7.6099 118.0287 60.4405 38.4585 174.6753 46 A 4.7782 8.4585 125.6423 53.2875 21.5615 175.7402 47 Y 5.1054 7.7780 111.8441 55.6760 41.9136 174.2082 48 G 3.6307 8.6056 107.8552 44.3217 0.0000 172.0024 49 I 4.3378 9.1394 126.6432 60.4344 38.2768 176.0997 50 C 4.2603 8.8905 125.0229 59.1620 41.2768 173.6056 51 P 4.5618 0.0000 0.0000 60.9122 29.3041 176.3034 52 L 4.3804 7.2660 117.7990 53.9752 45.6492 174.4733 53 A 4.3084 8.5943 127.5375 52.3726 19.0259 176.6956 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 D 8.36 4.61 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.22 4.59 0.00 1.88 1.99 0.00 3.27 0.00 0.00 3.36 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 3 I 8.40 3.83 1.97 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.68 1.00 0.00 0.00 4 C 8.62 4.74 0.00 3.02 3.07 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 5 T 7.29 4.64 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 1.33 0.00 0.00 6 N 7.69 4.50 0.00 2.78 2.84 0.00 0.00 6.17 7.72 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 7 C 8.41 3.99 0.00 2.90 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.84 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 9 A 8.08 4.26 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 10 G 8.03 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 0.00 0.00 0.00 11 T 8.59 4.47 4.37 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 1.27 0.00 0.00 12 K 8.02 5.14 0.00 1.90 1.77 0.00 1.62 0.00 0.00 2.41 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.37 7.81 13 G 8.29 4.20 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 0.00 14 C 8.54 4.85 0.00 3.24 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 15 K 9.43 5.00 0.00 2.14 1.92 0.00 1.68 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.68 1.66 7.81 16 Y 9.29 5.02 0.00 3.06 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.71 5.33 0.00 2.75 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 18 S 9.10 4.72 0.00 4.05 3.76 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 19 D 8.38 4.26 0.00 2.84 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 20 D 8.06 4.44 0.00 2.84 2.87 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 21 G 7.22 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.68 4.08 4.34 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 1.24 0.00 0.00 23 F 8.80 4.21 0.00 2.65 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 24 V 7.44 3.71 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 0.73 0.00 0.00 0.89 0.00 0.00 25 C 6.47 4.22 0.00 2.77 2.80 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 26 E 8.94 4.96 0.00 2.29 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 2.38 2.64 0.00 27 G 9.73 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 0.00 0.00 0.00 28 E 8.34 4.93 0.00 1.91 1.83 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 2.22 2.25 0.00 29 S 8.03 4.34 0.00 4.03 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 30 D 8.61 4.64 0.00 2.66 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.84 0.00 2.22 2.13 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 32 R 8.25 4.42 0.00 1.99 1.95 0.00 3.37 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 33 N 8.83 4.53 0.00 2.76 2.81 0.00 0.00 7.49 7.61 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 34 P 0.00 4.18 0.00 2.06 2.08 0.00 3.68 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 35 K 8.53 4.01 0.00 1.75 1.80 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.45 7.81 36 A 8.44 4.63 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 37 A 8.13 4.10 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 38 P 0.00 4.67 0.00 2.16 1.99 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 39 R 7.36 4.42 0.00 1.78 1.85 0.00 3.23 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 40 N 8.19 4.62 0.00 2.85 2.78 0.00 0.00 6.28 7.64 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 41 C 8.68 4.28 0.00 2.98 3.08 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 42 D 8.54 4.72 0.00 2.64 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.71 0.00 2.06 2.04 0.00 3.67 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 2.01 2.05 0.00 44 R 7.42 4.51 0.00 1.86 2.02 0.00 3.16 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 45 I 7.61 4.14 1.88 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.77 1.12 0.00 0.00 46 A 8.46 4.78 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 47 Y 7.78 5.11 0.00 3.01 3.05 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 0.00 0.00 0.00 0.00 48 G 8.61 3.63 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 0.00 0.00 0.00 49 I 9.14 4.34 1.94 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.86 0.87 0.00 0.00 50 C 8.89 4.26 0.00 2.96 3.14 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 51 P 0.00 4.56 0.00 2.02 2.02 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 52 L 7.27 4.38 0.00 1.55 1.52 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.59 4.31 1.24 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 0.00 0.00 0.00