NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8927 8.3393 109.7362 45.7869 0.0000 173.7084 3 S 4.3778 7.6239 120.4816 57.4684 66.3160 170.2661 4 V 3.6087 8.3296 115.4996 64.0581 31.7533 179.3041 5 E 3.8859 8.2836 118.9157 59.8143 29.3195 178.8349 6 D 4.3470 7.7741 118.5106 57.4547 40.8509 178.9335 7 R 3.9537 8.2287 118.7554 59.1417 29.9455 179.4021 8 V 3.5749 7.7574 117.9237 66.2118 31.6762 178.0456 9 T 4.3339 7.7935 116.8580 66.1530 68.2040 176.3324 10 Q 3.9183 8.1471 121.1679 59.1371 29.1689 177.7921 11 L 3.9337 8.1252 120.2748 58.1179 41.5430 179.4792 12 E 3.9969 8.6294 118.7129 59.3670 29.3976 179.4473 13 R 3.8935 7.9574 118.6643 59.3751 30.1572 178.6924 14 I 3.6438 8.0011 119.9619 64.3023 37.0421 178.2839 15 S 4.0247 8.5260 114.3054 61.4924 62.2225 175.9415 16 N 4.2925 8.4028 119.0332 56.1510 38.2679 177.1548 17 A 3.9863 8.0320 122.0397 55.6257 18.5512 179.2149 18 H 4.1548 8.7197 114.9308 59.3339 28.7558 178.1413 19 S 4.1421 8.3175 116.8362 61.6469 62.6757 176.5468 20 Q 3.9608 8.1533 122.1583 59.1751 28.7893 178.4078 21 L 3.9950 7.9382 119.9585 57.7099 41.6180 179.2519 22 L 3.9844 8.4250 119.2842 58.3694 41.7278 179.8767 23 T 4.1096 8.0060 116.8100 66.2144 68.3406 176.9029 24 Q 4.0192 8.1786 120.1051 58.7646 28.7399 178.4392 25 L 3.9620 8.1140 121.4872 58.1498 42.1338 178.9214 26 Q 4.0161 8.3050 118.2460 59.1750 28.6832 178.8197 27 Q 4.0885 7.9516 120.0533 59.1759 29.0669 178.1858 28 Q 4.0387 8.3198 119.3541 58.5234 28.6442 178.2203 29 L 3.9655 8.4649 122.2346 58.2055 42.1591 179.2815 30 S 4.1226 8.1581 114.1475 61.4088 62.9564 176.2407 31 D 4.3483 8.2278 122.7680 57.0895 40.5101 178.0998 32 N 4.3038 8.3276 117.6768 56.7969 38.8904 176.9429 33 Q 4.0140 8.3441 119.6857 58.9526 28.7633 178.7299 34 S 4.0693 8.1009 114.1553 61.4908 62.3570 176.0477 35 D 4.3368 8.0491 121.3976 57.3580 40.5023 178.7001 36 I 3.6852 8.1356 120.7158 64.6736 37.1488 178.2424 37 D 4.3499 8.3429 119.7213 57.3471 40.5588 179.1422 38 S 4.1016 8.2489 115.7705 61.4697 62.7963 176.4340 39 L 3.9154 8.1161 123.1855 58.0574 41.7666 178.6705 40 R 3.9622 8.2744 119.0598 59.5786 29.8935 178.4001 41 G 3.7083 8.1653 105.2003 48.1950 0.0000 175.6129 42 Q 4.0179 8.0944 120.5541 58.6580 28.6691 178.8537 43 I 3.7265 8.0598 121.0882 64.3963 37.0563 178.5143 44 Q 4.0105 8.3425 119.1048 58.8491 28.5815 178.2832 45 E 3.9325 8.3364 120.3697 59.5291 29.6286 178.5142 46 N 4.3626 8.4898 116.7222 56.5536 38.5505 177.1613 47 Q 4.0020 8.6096 121.2752 59.1185 28.9910 177.4787 48 Y 4.0215 8.2781 120.7123 61.0154 38.8683 178.3673 49 Q 4.2573 8.3156 120.1841 58.3285 28.7411 178.4109 50 L 3.9637 8.4014 121.8853 58.1955 42.1221 178.7623 51 N 4.2704 8.3311 116.6087 56.3349 38.5349 177.3983 52 Q 3.8889 7.6795 119.5589 58.8530 28.6881 178.9121 53 V 3.6649 7.7019 119.3131 66.0126 31.6771 178.3124 54 V 3.5733 8.0641 118.2351 65.6051 31.3306 177.6562 55 E 3.9063 8.2067 119.2794 59.4457 29.4368 179.1407 56 R 3.9936 8.2890 118.1707 58.8413 30.0038 178.7760 57 Q 3.9307 8.3115 120.0151 59.0447 29.0588 178.2886 58 K 3.8882 7.8907 119.0874 59.7124 32.1195 179.2335 59 Q 3.9946 8.0015 118.0110 59.0758 28.5674 178.9680 60 I 3.7167 8.0380 121.0643 64.4524 37.0507 178.5761 61 L 3.9847 8.1396 119.9135 57.4807 41.4140 179.3146 62 L 3.9172 7.9776 120.4456 58.1413 41.8293 178.9151 63 Q 3.9413 7.8707 118.2842 59.1544 29.2174 177.6653 64 I 3.8492 8.0047 121.1619 64.6512 36.7219 178.1243 65 D 4.3387 8.3615 119.8291 57.4536 40.4489 178.6257 66 S 4.3519 7.9371 112.5004 59.4818 62.3772 173.5109 67 L 4.5138 7.4030 122.4681 53.5094 42.0134 175.8643 68 S 4.5726 8.1850 118.9778 58.8012 62.2804 173.6845 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 2 G 8.34 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 3 S 7.62 4.38 0.00 4.14 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 4 V 8.33 3.61 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 0.90 0.00 0.00 0.93 0.00 0.00 5 E 8.28 3.89 0.00 2.07 1.97 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 2.39 2.50 0.00 6 D 7.77 4.35 0.00 2.81 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 7 R 8.23 3.95 0.00 1.91 1.98 0.00 3.17 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 8 V 7.76 3.57 2.29 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 1.05 0.00 0.00 1.00 0.00 0.00 9 T 7.79 4.33 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 1.21 0.00 0.00 10 Q 8.15 3.92 0.00 2.17 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 11 L 8.13 3.93 0.00 1.88 1.71 0.92 1.22 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 12 E 8.63 4.00 0.00 2.15 1.99 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 2.32 2.48 0.00 13 R 7.96 3.89 0.00 1.90 2.08 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 14 I 8.00 3.64 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.66 0.71 0.00 0.00 15 S 8.53 4.02 0.00 3.82 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 16 N 8.40 4.29 0.00 2.76 2.85 0.00 0.00 6.94 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 17 A 8.03 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 18 H 8.72 4.15 0.00 3.29 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.32 4.14 0.00 3.99 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 20 Q 8.15 3.96 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 21 L 7.94 3.99 0.00 1.93 1.69 0.95 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.43 3.98 0.00 1.85 1.73 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.01 4.11 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 1.21 0.00 0.00 24 Q 8.18 4.02 0.00 2.24 2.14 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 2.36 0.00 25 L 8.11 3.96 0.00 1.94 1.84 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.30 4.02 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 27 Q 7.95 4.09 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 28 Q 8.32 4.04 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 29 L 8.46 3.97 0.00 1.80 1.88 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.16 4.12 0.00 4.10 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.35 0.00 2.85 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 32 N 8.33 4.30 0.00 2.97 2.91 0.00 0.00 7.21 6.74 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 33 Q 8.34 4.01 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 34 S 8.10 4.07 0.00 3.90 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 35 D 8.05 4.34 0.00 3.01 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 36 I 8.14 3.69 2.00 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 1.52 0.72 0.91 0.00 0.00 37 D 8.34 4.35 0.00 2.81 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 38 S 8.25 4.10 0.00 4.05 3.90 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 39 L 8.12 3.92 0.00 2.02 1.66 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.27 3.96 0.00 1.90 2.09 0.00 3.17 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 41 G 8.17 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 0.00 0.00 0.00 42 Q 8.09 4.02 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.69 0.00 43 I 8.06 3.73 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.73 0.92 0.00 0.00 44 Q 8.34 4.01 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 45 E 8.34 3.93 0.00 2.06 2.11 0.00 0.00 0.00 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 2.42 0.00 46 N 8.49 4.36 0.00 2.92 2.88 0.00 0.00 6.71 7.83 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 47 Q 8.61 4.00 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 48 Y 8.28 4.02 0.00 3.22 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 49 Q 8.32 4.26 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 50 L 8.40 3.96 0.00 1.93 1.65 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.33 4.27 0.00 2.77 2.75 0.00 0.00 7.01 7.28 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 52 Q 7.68 3.89 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.04 2.29 0.00 53 V 7.70 3.66 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 1.06 0.00 0.00 0.98 0.00 0.00 54 V 8.06 3.57 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 0.92 0.00 0.00 0.98 0.00 0.00 55 E 8.21 3.91 0.00 2.09 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 2.27 2.36 0.00 56 R 8.29 3.99 0.00 1.93 1.95 0.00 3.17 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 57 Q 8.31 3.93 0.00 2.16 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 58 K 7.89 3.89 0.00 2.03 1.84 0.00 1.71 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.69 7.81 59 Q 8.00 3.99 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 60 I 8.04 3.72 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.91 0.00 0.00 61 L 8.14 3.98 0.00 1.68 1.71 0.91 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.98 3.92 0.00 2.04 1.65 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 7.87 3.94 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 64 I 8.00 3.85 1.92 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 1.52 0.91 0.00 0.00 65 D 8.36 4.34 0.00 2.70 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 66 S 7.94 4.35 0.00 4.04 4.09 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 0.00 0.00 0.00 0.00 67 L 7.40 4.51 0.00 1.55 1.56 0.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.19 4.57 0.00 3.81 3.64 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