NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9431 8.2133 109.7360 45.6552 0.0000 175.7873 2 R 3.9132 7.9808 117.3353 55.8804 30.1789 174.5957 3 K 4.3117 7.4481 114.4997 55.5963 36.2910 174.4678 4 K 4.0923 8.6799 122.4533 56.2114 32.5930 176.3599 5 I 4.3994 8.1437 119.6224 59.3670 39.5880 174.4554 6 Q 4.6426 8.1686 122.3938 54.3693 30.8921 176.7399 7 I 4.1484 8.0082 125.4816 60.6954 35.0142 174.7222 8 T 4.5880 7.3988 115.6619 60.0667 70.4865 173.2902 9 R 4.0097 8.3833 127.2895 56.3465 30.5200 176.0110 10 I 4.1188 8.2035 125.3316 60.8126 37.7231 177.0778 11 M 3.7475 8.6462 125.5122 57.8790 32.1162 176.7543 12 D 4.5009 7.6216 119.1387 53.6417 41.3859 176.4135 13 E 3.8092 8.7564 126.5906 59.1296 29.2571 178.6081 14 R 3.8555 7.8557 118.1869 59.6073 30.3075 177.9614 15 N 4.3573 8.0944 116.3823 56.3422 38.4958 176.4209 16 R 3.8909 8.9770 121.5856 59.7529 30.2696 178.3220 17 Q 4.1183 8.0498 118.4413 58.7464 28.9633 178.2839 18 V 3.6097 7.4319 119.1914 66.2263 31.7325 177.8982 19 T 3.8770 8.1590 113.0137 65.0941 67.0768 175.8820 20 F 4.1770 8.0490 121.8766 61.6271 39.1275 177.2930 21 T 3.6625 7.9925 115.0685 66.4251 68.1624 176.8435 22 K 3.9805 7.8566 120.0926 59.5533 31.5454 179.6275 23 R 3.8949 7.7655 118.0117 58.7015 29.9719 178.4305 24 K 3.3697 7.9990 119.9901 59.8035 31.9250 178.5947 25 F 3.9518 7.9851 120.3742 60.8966 39.1367 177.6020 26 G 3.4859 7.7461 104.8485 47.0455 0.0000 175.3953 27 L 3.9738 8.8097 123.4723 58.1739 42.0749 178.5358 28 M 3.1198 7.3443 116.5781 58.3350 30.5371 178.3262 29 K 3.5063 7.1456 120.5949 59.1668 32.1744 178.9368 30 K 3.8508 8.7729 119.7219 59.3490 31.8578 178.9930 31 A 3.5680 7.8028 120.5328 55.3344 18.0334 178.9407 32 Y 3.9926 7.1117 118.9462 59.9071 39.0390 177.5888 33 E 3.9028 8.2410 119.6062 59.4581 29.5186 179.1606 34 L 3.9586 8.5813 121.2256 58.0612 42.0151 178.9649 35 S 4.0762 7.7577 113.5092 61.2234 62.1044 176.2876 36 V 3.4856 7.3551 120.1909 65.6562 31.2743 177.7651 37 L 4.1733 7.6519 117.6070 56.7531 41.5941 177.4684 38 A 4.4781 7.4999 117.0706 50.5245 21.0033 174.8033 39 D 4.2535 8.4531 115.1579 54.7850 39.9788 172.2491 40 A 4.4298 7.4282 121.3257 51.0988 20.8493 176.5772 41 E 4.4915 8.4457 119.0508 55.9257 29.9179 176.6648 42 I 4.8510 8.1908 122.9241 59.5402 42.3412 174.6856 43 A 4.7449 8.5966 125.0052 50.4719 21.7083 175.1113 44 L 4.7511 8.7410 124.2789 53.9996 44.5945 175.3290 45 I 5.1530 8.5172 126.2650 59.6338 40.2945 174.9328 46 I 4.8393 8.1909 126.0226 59.6057 41.3921 174.6934 47 F 4.5883 9.1553 123.8204 55.6094 41.0164 174.1623 48 N 4.7149 8.7474 122.5117 52.6413 39.5500 176.4169 49 S 4.2680 8.5592 118.8815 60.8864 63.1035 174.9389 50 S 4.4472 8.1073 116.1235 58.1809 62.7020 172.8196 51 N 4.0945 8.6435 121.1348 53.3548 36.0811 172.2318 52 K 4.4479 7.6430 120.1349 54.8616 35.7412 173.9191 53 L 4.8825 8.4946 130.0193 52.7527 43.3873 175.2091 54 F 4.5822 8.4943 127.3821 56.3122 42.8562 172.8097 55 Q 5.0430 8.4204 126.3910 54.5177 31.4059 173.4941 56 Y 4.8775 8.8350 126.6017 55.8774 42.3681 174.2795 57 A 4.7758 7.3431 126.9649 51.1745 21.3712 176.3029 58 S 4.1189 8.3099 118.9744 59.6528 64.1214 175.0510 59 T 4.3065 7.6232 115.0924 61.7729 67.9380 172.0399 60 D 4.0389 8.3101 119.6566 54.0788 40.0305 173.3318 61 M 4.1797 8.3754 125.5353 57.6527 31.9021 176.7623 62 D 4.4051 8.4324 118.6504 57.8138 40.5691 178.5782 63 K 4.0151 8.0453 118.6198 60.0435 32.8864 179.1007 64 V 3.9927 7.9847 119.4163 65.8598 31.0015 177.8031 65 L 4.0192 7.8278 117.8043 57.8269 41.3454 179.3153 66 L 4.0189 7.2351 118.8655 57.9303 42.4412 178.3915 67 K 4.0287 9.3696 119.9830 59.9121 32.2453 177.8993 68 Y 4.3385 8.1933 119.6103 61.3371 38.4538 178.4962 69 T 4.0209 7.6627 115.4838 66.3341 68.7415 176.1797 70 E 4.0338 8.5397 121.3800 59.4434 29.2664 178.7616 71 Y 4.0170 7.5937 115.3115 60.5015 38.1061 176.9570 72 N 4.3489 7.6657 116.3735 54.0791 39.5420 174.4592 73 E 4.2735 7.2448 121.3344 54.8076 30.6813 174.2331 74 P 4.4147 0.0000 0.0000 63.1166 31.3913 176.0679 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 8.21 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 0.00 0.00 0.00 2 R 7.98 3.91 0.00 1.89 2.01 0.00 3.41 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 3 K 7.45 4.31 0.00 1.80 1.72 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.34 7.81 4 K 8.68 4.09 0.00 1.74 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.42 7.81 5 I 8.14 4.40 1.88 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 1.30 0.78 0.97 0.00 0.00 6 Q 8.17 4.64 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.49 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 7 I 8.01 4.15 1.88 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 1.30 0.92 0.92 0.00 0.00 8 T 7.40 4.59 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 1.28 0.00 0.00 9 R 8.38 4.01 0.00 1.81 1.82 0.00 3.27 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 10 I 8.20 4.12 1.89 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 1.43 0.72 0.95 0.00 0.00 11 M 8.65 3.75 0.00 2.01 2.14 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.56 0.00 12 D 7.62 4.50 0.00 2.52 2.64 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 13 E 8.76 3.81 0.00 2.03 1.95 0.00 0.00 0.00 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 2.37 0.00 14 R 7.86 3.86 0.00 1.92 1.91 0.00 3.24 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 15 N 8.09 4.36 0.00 2.88 2.80 0.00 0.00 6.74 7.66 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 16 R 8.98 3.89 0.00 2.10 2.08 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 17 Q 8.05 4.12 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.63 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 18 V 7.43 3.61 2.47 0.00 0.00 0.00 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 0.98 0.00 0.00 19 T 8.16 3.88 4.28 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 1.37 0.00 0.00 20 F 8.05 4.18 0.00 3.23 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.99 3.66 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 1.21 0.00 0.00 22 K 7.86 3.98 0.00 1.89 1.83 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.65 1.62 7.81 23 R 7.77 3.89 0.00 1.65 1.86 0.00 3.26 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.77 0.00 24 K 8.00 3.37 0.00 0.99 1.51 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.21 1.06 7.81 25 F 7.99 3.95 0.00 3.08 2.99 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 26 G 7.75 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.81 3.97 0.00 1.71 1.45 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.34 3.12 0.00 1.61 1.54 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 2.10 0.00 29 K 7.15 3.51 0.00 1.44 1.83 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.32 7.81 30 K 8.77 3.85 0.00 1.81 1.76 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.43 7.81 31 A 7.80 3.57 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.11 3.99 0.00 2.68 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 33 E 8.24 3.90 0.00 2.02 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 2.41 2.55 0.00 34 L 8.58 3.96 0.00 1.66 1.72 0.90 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.76 4.08 0.00 4.07 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 36 V 7.36 3.49 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 0.78 0.00 0.00 0.46 0.00 0.00 37 L 7.65 4.17 0.00 1.65 1.69 0.90 0.60 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 38 A 7.50 4.48 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.45 4.25 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 40 A 7.43 4.43 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 41 E 8.45 4.49 0.00 1.89 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 2.30 2.30 0.00 42 I 8.19 4.85 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.16 0.96 0.00 0.00 43 A 8.60 4.74 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 44 L 8.74 4.75 0.00 1.84 1.66 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.52 5.15 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 0.77 0.00 0.00 46 I 8.19 4.84 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.30 1.16 0.00 0.00 47 F 9.16 4.59 0.00 2.82 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 48 N 8.75 4.71 0.00 3.04 2.82 0.00 0.00 6.97 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 49 S 8.56 4.27 0.00 4.00 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 50 S 8.11 4.45 0.00 3.99 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 51 N 8.64 4.09 0.00 2.86 2.89 0.00 0.00 6.81 6.29 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 52 K 7.64 4.45 0.00 1.90 1.70 0.00 1.90 0.00 0.00 1.96 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.53 7.81 53 L 8.49 4.88 0.00 1.57 1.45 0.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.49 4.58 0.00 3.14 2.76 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 55 Q 8.42 5.04 0.00 1.99 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.44 0.00 0.00 0.00 0.00 0.00 2.24 2.32 0.00 56 Y 8.83 4.88 0.00 3.46 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 57 A 7.34 4.78 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 58 S 8.31 4.12 0.00 3.92 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 59 T 7.62 4.31 4.50 0.00 0.00 0.00 0.00 0.00 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 60 D 8.31 4.04 0.00 2.88 2.58 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 61 M 8.38 4.18 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.61 0.00 62 D 8.43 4.41 0.00 2.98 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 63 K 8.05 4.02 0.00 2.09 2.06 0.00 1.44 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.61 1.50 7.81 64 V 7.98 3.99 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 1.03 0.00 0.00 0.98 0.00 0.00 65 L 7.83 4.02 0.00 1.77 1.74 0.94 0.78 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 66 L 7.24 4.02 0.00 1.67 1.71 0.93 0.65 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 67 K 9.37 4.03 0.00 2.03 1.94 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.61 1.65 7.81 68 Y 8.19 4.34 0.00 3.24 3.22 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 69 T 7.66 4.02 4.47 0.00 0.00 0.00 0.00 0.00 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 70 E 8.54 4.03 0.00 1.85 1.72 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 0.00 2.25 2.50 0.00 71 Y 7.59 4.02 0.00 2.83 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.67 4.35 0.00 2.52 2.77 0.00 0.00 7.24 7.73 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 73 E 7.24 4.27 0.00 2.18 1.76 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 2.27 2.22 0.00 74 P 0.00 4.41 0.00 2.21 2.01 0.00 3.83 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 1.97 1.95 0.00