NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0029 8.3393 109.7360 45.5835 0.0000 173.0124 2 S 4.4931 8.2185 119.6693 56.0484 65.9154 171.9453 3 S 4.5827 8.5629 117.7356 57.0627 67.7579 175.0878 4 G 3.9249 8.5325 110.6544 43.9273 0.0000 172.6272 5 S 4.6056 8.1875 121.1691 56.4679 64.3056 174.2494 6 S 4.1783 8.5476 116.5088 58.8481 66.2795 175.8475 7 G 4.1114 9.1720 115.3352 45.5227 0.0000 172.7878 8 R 4.8195 8.6845 123.5609 54.0635 34.3310 175.0378 9 R 5.2642 8.5234 119.3694 54.9520 33.8060 174.7333 10 C 4.8763 8.6019 118.5680 58.5177 33.4861 172.6038 11 Q 4.9446 8.5713 123.2875 54.5745 30.9224 174.7045 12 V 4.2072 9.2928 127.8389 63.0541 31.9025 176.1511 13 A 4.2596 8.6276 129.4219 52.7913 19.8761 177.2423 14 F 4.7533 8.1360 113.2183 55.5646 42.5917 174.6459 15 S 4.5489 8.7608 121.8939 58.9511 63.7735 173.0673 16 Y 4.5598 9.4581 124.9792 55.8142 41.8514 173.7444 17 L 4.7800 7.9176 126.8305 52.6834 42.9470 174.4442 18 P 4.5041 0.0000 0.0000 62.5970 32.1912 176.7121 19 Q 4.3779 8.7820 122.8821 56.2321 28.7973 174.9258 20 N 5.1088 7.6338 113.8664 52.0447 42.7855 173.0436 21 D 4.9092 8.4667 115.8681 54.4434 41.4576 176.3313 22 D 4.7361 8.0684 112.3830 53.8163 42.5526 173.7052 23 E 4.9239 8.2089 115.8463 54.2469 32.7035 174.7552 24 L 4.7636 8.4465 119.2966 53.5047 44.0597 176.6008 25 E 4.8460 8.6652 123.1307 54.6756 30.1682 175.1041 26 L 4.3556 8.9424 127.9624 54.5273 42.8789 176.7664 27 K 4.6182 8.4351 121.4727 54.8569 36.2751 175.0791 28 V 3.7483 8.5360 126.5082 66.4149 30.8859 175.2452 29 G 4.0662 8.6171 116.3165 45.6490 0.0000 173.2491 30 D 4.5884 9.4783 120.7368 54.3248 42.2512 175.6155 31 I 4.9595 8.2103 121.8284 59.7840 39.8173 174.7916 32 I 4.9843 8.1470 128.5388 59.1000 38.8318 175.5971 33 E 5.1834 8.7004 127.0658 54.3564 29.1939 173.7241 34 V 3.9687 8.2909 122.3782 63.9400 32.0256 176.0242 35 V 3.9163 9.0654 122.3659 63.3671 32.7461 176.6136 36 G 3.9084 7.5666 108.2895 45.8171 0.0000 172.1115 37 E 4.9246 8.5725 123.4662 54.6309 31.9188 175.2914 38 V 3.8050 8.1025 128.4581 64.0947 32.3028 176.2921 39 E 4.7606 8.7227 114.9957 54.2125 33.1863 173.8083 40 E 4.2633 8.7836 119.4434 58.5867 29.5277 176.9409 41 G 3.7260 9.2000 115.0055 44.6295 0.0000 171.7417 42 W 4.8671 9.1266 121.0152 54.5197 32.4959 174.7915 43 W 5.3154 8.7918 123.7316 54.7206 33.1266 173.7663 44 E 5.1648 8.8921 121.3323 54.9451 32.0017 175.1086 45 G 4.3273 8.7058 112.6364 44.6571 0.0000 170.9254 46 V 5.2043 8.4761 118.1365 60.3362 34.9665 175.3822 47 L 4.9022 8.2184 128.8502 53.7921 42.0370 175.3580 48 N 4.4438 9.3034 125.7639 53.9007 35.7605 174.2027 49 G 4.0796 8.3413 106.3194 45.5705 0.0000 173.7483 50 K 4.2921 7.4544 119.8307 56.8136 33.0482 175.0864 51 T 5.1657 6.6758 114.2525 62.6980 71.9509 173.5585 52 G 4.2149 8.0380 114.6918 45.5744 0.0000 171.1861 53 M 5.1110 8.4661 117.9659 54.8013 32.2836 175.6734 54 F 5.0102 9.2019 117.1935 54.0648 42.4522 171.8741 55 P 3.8371 0.0000 0.0000 62.2693 32.1022 176.3468 56 S 4.1644 7.5719 118.6432 57.9589 63.1886 174.2803 57 N 4.5149 7.0312 114.6818 53.3417 38.0741 174.7860 58 F 4.7527 7.5046 116.9646 57.0471 40.9592 173.9437 59 I 5.2025 7.8058 112.1729 60.0570 41.2884 174.1623 60 K 4.4571 8.9203 121.9194 55.9617 34.5614 175.7485 61 E 4.5669 9.0544 124.9692 56.8339 30.5822 177.0864 62 L 4.6703 8.2470 119.7105 53.4602 45.1148 176.1003 63 S 4.5040 8.2595 117.2116 57.4586 65.6611 174.7025 64 G 3.8471 8.6477 114.5852 44.0930 0.0000 171.8851 65 P 4.4755 0.0000 0.0000 62.1380 29.5035 177.6633 66 S 4.5860 7.5662 114.4274 57.7988 63.0255 174.2375 67 S 4.8044 8.1669 120.3037 56.1254 66.4342 174.9330 68 G 3.7394 8.5669 109.9608 46.0059 0.0000 173.7451 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 8.34 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 0.00 0.00 0.00 2 S 8.22 4.49 0.00 4.00 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 3 S 8.56 4.58 0.00 3.81 3.74 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 0.00 0.00 0.00 0.00 4 G 8.53 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 0.00 0.00 0.00 5 S 8.19 4.61 0.00 3.96 3.87 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 6 S 8.55 4.18 0.00 3.80 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 7 G 9.17 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 0.00 0.00 0.00 8 R 8.68 4.82 0.00 1.84 1.76 0.00 2.94 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 9 R 8.52 5.26 0.00 1.65 1.80 0.00 3.20 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 10 C 8.60 4.88 0.00 2.96 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 11 Q 8.57 4.94 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 12 V 9.29 4.21 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 0.94 0.00 0.00 0.88 0.00 0.00 13 A 8.63 4.26 1.13 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 0.00 0.00 14 F 8.14 4.75 0.00 3.03 2.96 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 0.00 0.00 0.00 15 S 8.76 4.55 0.00 3.76 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 16 Y 9.46 4.56 0.00 2.77 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 17 L 7.92 4.78 0.00 1.34 1.45 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.50 0.00 2.40 2.41 0.00 3.66 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 19 Q 8.78 4.38 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.28 0.00 20 N 7.63 5.11 0.00 2.74 2.70 0.00 0.00 6.96 8.00 0.00 0.00 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 D 8.47 4.91 0.00 2.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.07 4.74 0.00 2.62 2.57 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 0.00 0.00 0.00 0.00 23 E 8.21 4.92 0.00 2.14 2.18 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 2.39 2.44 0.00 24 L 8.45 4.76 0.00 1.66 1.62 1.03 0.93 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 25 E 8.67 4.85 0.00 2.01 1.92 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 2.23 2.44 0.00 26 L 8.94 4.36 0.00 1.97 1.61 0.90 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.44 4.62 0.00 1.92 1.70 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.37 7.81 28 V 8.54 3.75 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 0.60 0.00 0.00 0.92 0.00 0.00 29 G 8.62 4.07 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 0.00 0.00 0.00 30 D 9.48 4.59 0.00 2.72 2.56 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 31 I 8.21 4.96 1.86 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 1.34 0.76 0.98 0.00 0.00 32 I 8.15 4.98 1.45 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.00 0.66 0.00 0.00 33 E 8.70 5.18 0.00 1.93 1.92 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 2.58 2.15 0.00 34 V 8.29 3.97 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 0.85 0.00 0.00 1.28 0.00 0.00 35 V 9.07 3.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 1.04 0.00 0.00 36 G 7.57 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 0.00 0.00 0.00 37 E 8.57 4.92 0.00 1.59 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 2.67 2.53 0.00 38 V 8.10 3.80 2.24 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 0.81 0.00 0.00 1.08 0.00 0.00 39 E 8.72 4.76 0.00 2.18 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 2.14 2.44 0.00 40 E 8.78 4.26 0.00 2.00 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 0.00 2.32 2.36 0.00 41 G 9.20 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 42 W 9.13 4.87 0.00 3.20 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 43 W 8.79 5.32 0.00 2.24 2.72 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 0.00 0.00 0.00 44 E 8.89 5.16 0.00 2.14 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 45 G 8.71 4.33 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 0.00 46 V 8.48 5.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 47 L 8.22 4.90 0.00 1.66 1.49 0.96 0.69 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 48 N 9.30 4.44 0.00 2.91 2.89 0.00 0.00 7.42 7.65 0.00 0.00 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 G 8.34 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 50 K 7.45 4.29 0.00 1.94 1.76 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.48 7.81 51 T 6.68 5.17 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 1.33 0.00 0.00 52 G 8.04 4.21 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 0.00 53 M 8.47 5.11 0.00 2.14 2.33 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 54 F 9.20 5.01 0.00 2.83 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 55 P 0.00 3.84 0.00 1.87 1.16 0.00 3.20 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.10 0.00 56 S 7.57 4.16 0.00 2.72 2.63 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 57 N 7.03 4.51 0.00 2.23 2.16 0.00 0.00 6.31 7.09 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 58 F 7.50 4.75 0.00 2.77 2.89 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 59 I 7.81 5.20 2.11 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.55 1.07 0.00 0.00 60 K 8.92 4.46 0.00 1.87 2.02 0.00 1.35 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.46 7.81 61 E 9.05 4.57 0.00 1.94 2.06 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 2.57 2.69 0.00 62 L 8.25 4.67 0.00 1.59 1.55 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.26 4.50 0.00 3.77 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.48 0.00 2.19 2.11 0.00 3.75 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 1.99 1.98 0.00 66 S 7.57 4.59 0.00 4.04 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 67 S 8.17 4.80 0.00 3.80 3.72 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 0.00 0.00 0.00 68 G 8.57 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00