NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3774 8.1627 120.6157 55.6232 34.1895 173.8426 2 E 4.5733 8.6813 125.0982 54.0498 30.4306 170.0714 3 V 4.2227 9.3419 120.7004 60.3245 34.8681 174.1762 4 N 5.1134 8.3999 119.2485 51.5663 40.7071 175.9174 5 K 3.7321 9.1879 119.3339 60.5383 31.7659 177.7397 6 K 4.1569 8.0945 118.3616 58.5618 32.2315 178.5835 7 Q 3.9979 8.0744 117.4730 59.2746 28.2991 179.1619 8 L 4.0838 8.7713 121.1552 58.4785 42.1435 179.0575 9 A 3.8300 7.6068 119.7746 55.0353 18.1563 179.0987 10 D 4.3251 8.2237 116.8765 57.2200 41.0352 178.1239 11 I 3.5493 7.9786 120.2204 64.1666 37.2053 177.3976 12 F 4.6397 7.9129 113.7745 56.0710 39.0711 176.0468 13 G 3.9721 8.1613 105.8672 46.3451 0.0000 174.6999 14 A 4.4034 8.1778 123.3594 51.1021 20.4463 177.1213 15 S 4.7231 8.0581 110.8615 56.6738 65.3961 175.2816 16 I 3.1387 8.4266 125.7914 64.7095 36.5069 178.5160 17 R 4.0186 7.8171 115.3926 59.6132 29.2743 178.6680 18 T 3.8758 8.5915 117.6103 66.3496 68.2995 176.8224 19 I 2.9024 6.8701 121.1356 64.1231 36.8070 178.2577 20 Q 3.9421 8.0670 118.3410 58.2632 28.6510 177.4048 21 N 4.6527 8.2926 118.1982 55.2727 39.0932 177.1419 22 W 4.7138 7.9907 120.3947 59.8753 29.2130 178.0375 23 Q 4.0633 8.3983 118.5132 58.1922 28.5605 176.4150 24 E 4.6425 7.7095 113.3977 56.4709 30.4915 176.3587 25 Q 4.4047 8.1456 117.5045 55.5895 29.4038 176.0798 26 G 4.4373 8.3996 107.8744 45.9492 0.0000 173.6530 27 M 2.5500 7.9469 116.6435 52.6972 31.9005 175.1903 28 P 4.4185 0.0000 0.0000 62.1138 29.9223 175.0005 29 V 4.1520 7.6482 125.5054 61.3368 32.0456 176.4137 30 L 3.5575 7.2369 120.6876 57.8582 41.8995 178.0452 31 R 4.5148 7.3096 115.8484 54.4369 32.1611 178.0574 32 G 3.2508 8.3427 108.1470 47.0140 0.0000 175.8780 33 G 3.8239 7.7498 108.4133 44.3857 0.0000 174.2549 34 G 4.0666 8.1324 105.7673 45.7942 0.0000 173.6499 35 K 3.6101 8.9075 115.5637 54.4653 29.7220 173.3289 36 G 3.6023 7.8992 105.1447 44.9301 0.0000 171.9259 37 N 4.5023 8.1687 120.3502 52.4928 39.5936 174.3764 38 E 5.5021 7.7358 121.6344 56.3414 31.4237 177.3164 39 V 3.3393 7.7906 118.9330 64.4880 32.1352 175.1750 40 L 4.1815 7.8871 129.1886 53.5228 45.3932 174.4879 41 Y 4.8649 8.2664 117.5098 56.2195 41.3229 175.0947 42 D 4.9155 8.6690 126.0610 53.4635 37.3851 176.7367 43 S 4.8303 8.7555 124.8463 62.3290 62.9849 176.0534 44 A 4.1792 8.0079 122.3468 54.6530 18.6993 179.2140 45 A 4.1392 7.8864 118.6727 54.9029 18.5231 179.6880 46 V 3.6132 9.5848 117.1127 65.1248 31.2925 177.8654 47 I 4.5933 7.4663 112.9598 63.7603 37.7522 177.6263 48 K 3.9049 7.9485 122.2597 58.7344 30.7422 177.8925 49 W 4.1692 8.3342 128.1199 59.6408 30.7259 177.3349 50 Y 4.0614 8.4476 120.6877 58.9770 38.0919 177.0574 51 A 3.8928 9.8023 121.0642 53.7941 18.6388 178.2658 52 E 4.2730 7.1249 114.0074 56.7651 30.1948 176.0401 53 R 4.3315 6.6200 114.5323 57.3522 35.6513 175.9072 54 D 4.2404 7.2867 117.8120 53.9818 40.3668 177.6139 55 A 3.8185 6.7668 121.0435 53.6181 17.9841 179.1471 56 E 4.3779 7.8413 115.0518 58.1240 30.4314 178.8718 57 I 3.7201 7.3643 119.0480 64.6698 36.9370 177.6114 58 E 4.2324 8.4497 119.0849 58.9725 29.1477 178.8192 59 N 4.1369 9.6314 116.9153 55.2201 38.4450 176.4529 60 E 3.9781 8.4637 122.4293 59.3971 29.4795 179.0258 61 K 4.2132 7.6673 117.2090 58.9459 32.2721 178.8318 62 L 4.1479 8.4635 121.7627 57.7041 41.9266 178.9215 63 R 4.0709 7.8432 115.4471 58.9645 29.2757 178.6281 64 R 3.9429 7.9712 118.9784 59.3101 30.1925 177.5890 65 E 4.4593 7.6418 115.5903 56.2079 29.2822 178.5851 66 V 3.6475 7.1149 121.3871 64.9273 31.4147 177.5990 67 E 3.9755 8.3658 116.9687 58.1358 30.0455 176.2355 68 E 4.1157 7.4782 122.7182 56.3463 30.3026 174.5943 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 8.16 4.38 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 2 E 8.68 4.57 0.00 2.04 1.80 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 2.15 2.36 0.00 3 V 9.34 4.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 1.21 0.00 0.00 4 N 8.40 5.11 0.00 2.70 2.79 0.00 0.00 6.43 7.70 0.00 0.00 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 K 9.19 3.73 0.00 2.11 1.92 0.00 1.53 0.00 0.00 1.92 0.00 0.00 3.16 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.54 7.81 6 K 8.09 4.16 0.00 1.82 1.76 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.48 7.81 7 Q 8.07 4.00 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 8 L 8.77 4.08 0.00 1.93 1.61 -0.17 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.61 3.83 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 10 D 8.22 4.33 0.00 2.97 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.55 2.09 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 1.85 1.01 0.11 0.00 0.00 12 F 7.91 4.64 0.00 3.03 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 13 G 8.16 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 0.00 0.00 0.00 14 A 8.18 4.40 1.07 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 15 S 8.06 4.72 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 16 I 8.43 3.14 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.45 0.90 0.00 0.00 17 R 7.82 4.02 0.00 1.91 2.01 0.00 3.10 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 18 T 8.59 3.88 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 0.90 0.00 0.00 19 I 6.87 2.90 1.64 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.63 0.32 0.00 0.00 20 Q 8.07 3.94 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 21 N 8.29 4.65 0.00 2.86 3.00 0.00 0.00 7.44 7.84 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 22 W 7.99 4.71 0.00 3.42 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 23 Q 8.40 4.06 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 24 E 7.71 4.64 0.00 2.10 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 2.29 2.52 0.00 25 Q 8.15 4.40 0.00 2.60 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.60 0.00 0.00 0.00 0.00 0.00 2.63 2.65 0.00 26 G 8.40 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.95 2.55 0.00 1.40 0.57 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 28 P 0.00 4.42 0.00 2.42 2.20 0.00 2.42 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 29 V 7.65 4.15 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.78 0.00 0.00 30 L 7.24 3.56 0.00 1.56 1.59 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.31 4.51 0.00 1.79 1.76 0.00 3.11 0.00 0.00 3.50 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 32 G 8.34 3.25 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 0.00 33 G 7.75 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 8.13 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 35 K 8.91 3.61 0.00 1.82 1.77 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.42 7.81 36 G 7.90 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.17 4.50 0.00 2.62 2.67 0.00 0.00 6.99 6.07 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 38 E 7.74 5.50 0.00 2.05 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 1.98 2.01 0.00 39 V 7.79 3.34 2.02 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 0.68 0.00 0.00 0.93 0.00 0.00 40 L 7.89 4.18 0.00 1.44 1.43 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.27 4.86 0.00 3.09 2.85 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 42 D 8.67 4.92 0.00 2.90 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 43 S 8.76 4.83 0.00 3.94 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 44 A 8.01 4.18 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 45 A 7.89 4.14 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.58 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 1.32 0.00 0.00 1.15 0.00 0.00 47 I 7.47 4.59 2.07 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 1.67 0.95 0.81 0.00 0.00 48 K 7.95 3.90 0.00 1.90 2.02 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.56 7.81 49 W 8.33 4.17 0.00 3.42 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 4.06 0.00 2.48 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.80 3.89 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.12 4.27 0.00 1.85 2.14 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 2.11 2.01 0.00 53 R 6.62 4.33 0.00 1.74 1.68 0.00 2.21 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 54 D 7.29 4.24 0.00 1.58 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 0.00 0.00 0.00 55 A 6.77 3.82 1.06 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 0.00 0.00 56 E 7.84 4.38 0.00 1.96 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 57 I 7.36 3.72 2.37 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 2.10 0.77 1.26 0.00 0.00 58 E 8.45 4.23 0.00 2.06 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 0.00 2.64 2.59 0.00 59 N 9.63 4.14 0.00 2.93 2.87 0.00 0.00 6.41 7.63 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 60 E 8.46 3.98 0.00 2.22 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 2.33 2.37 0.00 61 K 7.67 4.21 0.00 1.88 2.08 0.00 1.38 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.69 1.50 7.81 62 L 8.46 4.15 0.00 1.59 1.71 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 63 R 7.84 4.07 0.00 2.04 2.19 0.00 2.97 0.00 0.00 3.27 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.69 0.00 64 R 7.97 3.94 0.00 1.83 2.08 0.00 3.30 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 65 E 7.64 4.46 0.00 2.39 2.07 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 2.31 2.35 0.00 66 V 7.11 3.65 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 0.71 0.00 0.00 0.93 0.00 0.00 67 E 8.37 3.98 0.00 2.08 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 2.27 2.39 0.00 68 E 7.48 4.12 0.00 2.15 1.91 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 2.27 2.28 0.00