NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4717 8.3049 120.3471 56.1231 32.6880 172.0906 2 I 2.8775 7.7179 127.3044 58.7153 37.4067 168.7071 3 V 2.9282 8.6343 124.6546 61.6177 32.5519 173.7837 4 P 4.1247 0.0000 0.0000 62.8207 31.4482 176.2238 5 V 3.7282 8.3143 123.6506 63.4975 32.1666 172.3485 6 R 4.4651 8.7214 130.1977 54.7343 30.1010 175.8040 7 C 4.0768 8.2630 121.5307 59.1379 32.4517 174.2835 8 F 4.5431 8.2726 124.3700 61.1267 38.5831 177.1593 9 S 4.3673 7.9532 115.2605 61.5448 63.3134 174.6880 10 C 4.2762 8.0862 114.1837 58.8999 41.6870 175.0942 11 G 3.8729 8.2577 106.7917 43.7853 0.0000 173.4377 12 K 3.9469 7.7821 121.2578 56.0306 32.7941 175.9218 13 V 4.0223 8.2609 125.4064 63.1517 31.5451 175.7504 14 V 4.3771 8.3822 124.2208 62.5785 33.3601 177.3558 15 G 3.6928 8.2750 107.9266 48.3812 0.0000 173.6691 16 D 4.7658 8.0516 116.9925 53.5089 39.8235 176.5285 17 K 4.6437 7.9193 116.8560 55.9472 33.6389 177.8484 18 W 4.4150 8.4149 130.5305 60.6931 30.7662 178.0648 19 E 3.8758 8.3098 118.0545 59.2940 28.9287 179.2715 20 S 4.0769 8.0790 114.7939 61.8423 62.7293 175.9761 21 Y 3.9392 7.7570 121.5246 60.5519 38.5060 177.8339 22 L 3.4262 7.7654 121.5276 57.9502 42.0567 178.6717 23 N 4.2258 8.1823 116.6639 56.3237 38.5028 177.3376 24 L 4.1805 7.7209 119.6421 56.9120 41.3390 179.3783 25 L 3.7843 7.0449 119.5750 57.6193 41.5194 178.7386 26 Q 3.9219 7.6870 118.4813 59.1116 29.3524 177.8072 27 E 4.1047 7.9556 118.7133 59.4554 29.7414 178.9920 28 D 4.2762 8.0088 116.2064 54.9135 41.1103 176.0321 29 E 3.8829 7.2860 116.6277 56.0627 27.6023 174.6232 30 L 4.4389 7.3576 117.2072 53.6562 43.6123 176.5916 31 D 4.7518 8.1723 119.4281 52.3457 42.0582 177.0733 32 E 4.0250 8.7396 122.5647 59.8470 29.4763 179.7411 33 G 3.8688 8.2983 104.9020 48.8183 0.0000 175.6026 34 T 4.0807 8.1272 117.9610 65.3986 68.2434 176.8724 35 A 3.9851 7.8209 122.3070 55.2351 18.6429 179.2377 36 L 4.1871 7.9592 117.1170 58.4453 41.2972 180.1036 37 S 4.2281 7.7641 113.3229 61.5440 62.5204 176.5277 38 R 4.0957 7.9904 119.8809 58.1179 29.9949 177.3799 39 L 4.3914 8.0427 117.3683 55.1160 42.1179 177.3615 40 G 3.9769 7.7787 106.8445 45.0434 0.0000 174.7077 41 L 4.3126 7.4325 119.8593 53.8160 40.2155 175.9829 42 K 4.2624 8.3375 122.3508 57.7106 33.9885 178.5185 43 R 4.5912 7.4825 116.0008 54.2548 32.7179 176.7593 44 Y 4.2576 8.1262 119.7817 59.9812 37.7143 178.5005 45 C 4.1536 7.5256 116.3913 61.6366 29.7171 176.0734 46 C 4.3975 7.9614 116.0239 57.8533 34.6874 175.1675 47 R 4.2005 7.5823 120.5563 58.2925 30.2934 178.5478 48 R 4.0955 8.1438 115.1788 58.4101 29.2112 178.5073 49 M 3.7813 7.0594 120.3153 58.6534 32.2596 177.6759 50 I 4.0287 7.4526 119.0999 63.9070 37.4947 177.8318 51 L 3.8394 7.4046 119.9451 57.9488 42.0256 177.8468 52 T 4.3133 7.4846 112.9950 64.4707 69.2529 174.8500 53 H 4.0323 7.5651 121.5784 56.0581 30.1313 174.4765 54 V 4.0332 7.8854 126.4549 61.0999 32.2369 175.9350 55 D 4.3984 7.9908 129.5562 53.6928 39.0908 176.4157 56 L 3.8306 7.6875 123.3092 56.8865 42.0455 178.1465 57 I 3.8218 7.7277 118.4534 64.5104 37.4932 177.3693 58 E 4.0398 7.5873 116.6736 58.9295 29.5771 178.8155 59 K 4.1852 8.0745 118.6575 58.5635 32.4452 178.9863 60 F 4.8891 7.6735 117.5839 60.6767 38.6289 177.2337 61 L 4.2440 7.9188 117.4218 56.8727 41.5759 178.5349 62 R 4.1686 7.5647 116.8425 56.6950 30.1654 175.5263 63 Y 4.2511 7.2529 117.2173 57.7788 38.2321 174.4271 64 N 4.3676 9.1014 124.7043 56.2726 39.2572 172.5721 65 P 4.4700 0.0000 0.0000 62.9315 31.6600 175.8188 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 8.30 4.47 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.75 0.00 2 I 7.72 2.88 1.88 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.17 0.86 0.00 0.00 3 V 8.63 2.93 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 0.68 0.00 0.00 0.47 0.00 0.00 4 P 0.00 4.12 0.00 1.80 1.87 0.00 3.31 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 5 V 8.31 3.73 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 0.80 0.00 0.00 0.92 0.00 0.00 6 R 8.72 4.47 0.00 2.01 2.01 0.00 3.33 0.00 0.00 3.83 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 7 C 8.26 4.08 0.00 2.85 2.74 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 8 F 8.27 4.54 0.00 3.05 2.97 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 9 S 7.95 4.37 0.00 3.86 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 10 C 8.09 4.28 0.00 3.05 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.26 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 0.00 0.00 0.00 12 K 7.78 3.95 0.00 1.78 1.67 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.42 7.81 13 V 8.26 4.02 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 0.82 0.00 0.00 0.93 0.00 0.00 14 V 8.38 4.38 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 0.92 0.00 0.00 0.99 0.00 0.00 15 G 8.27 3.69 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 0.00 0.00 0.00 16 D 8.05 4.77 0.00 2.83 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 17 K 7.92 4.64 0.00 2.06 1.85 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.36 7.81 18 W 8.41 4.41 0.00 3.40 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 19 E 8.31 3.88 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 2.53 2.56 0.00 20 S 8.08 4.08 0.00 3.90 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 3.94 0.00 3.03 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 22 L 7.77 3.43 0.00 1.43 1.38 0.35 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.18 4.23 0.00 2.93 2.77 0.00 0.00 7.05 7.59 0.00 0.00 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 L 7.72 4.18 0.00 1.66 1.59 0.90 0.61 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 25 L 7.04 3.78 0.00 1.57 1.46 0.43 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.69 3.92 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 27 E 7.96 4.10 0.00 1.98 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 2.27 2.30 0.00 28 D 8.01 4.28 0.00 2.65 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 29 E 7.29 3.88 0.00 2.18 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 2.21 2.34 0.00 30 L 7.36 4.44 0.00 1.72 1.55 0.88 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.17 4.75 0.00 2.86 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 32 E 8.74 4.02 0.00 2.14 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 0.00 2.51 2.53 0.00 33 G 8.30 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 0.00 0.00 0.00 34 T 8.13 4.08 4.23 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 1.21 0.00 0.00 35 A 7.82 3.99 1.33 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 36 L 7.96 4.19 0.00 1.92 1.78 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.76 4.23 0.00 4.06 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 38 R 7.99 4.10 0.00 1.82 2.09 0.00 3.23 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 39 L 8.04 4.39 0.00 1.85 1.73 1.13 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.78 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.43 4.31 0.00 1.76 1.65 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.34 4.26 0.00 1.86 1.93 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.39 7.81 43 R 7.48 4.59 0.00 1.78 1.94 0.00 2.83 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 44 Y 8.13 4.26 0.00 3.24 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.53 4.15 0.00 3.13 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 46 C 7.96 4.40 0.00 2.93 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 47 R 7.58 4.20 0.00 2.06 2.00 0.00 3.21 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 48 R 8.14 4.10 0.00 2.11 2.23 0.00 2.79 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.92 0.00 49 M 7.06 3.78 0.00 1.91 1.98 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 2.29 2.33 0.00 50 I 7.45 4.03 1.67 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.91 0.08 0.00 0.00 51 L 7.40 3.84 0.00 1.56 1.86 1.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.48 4.31 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 1.23 0.00 0.00 53 H 7.57 4.03 0.00 3.12 2.96 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.89 4.03 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 0.79 0.00 0.00 0.91 0.00 0.00 55 D 7.99 4.40 0.00 2.70 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 56 L 7.69 3.83 0.00 1.65 0.82 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.73 3.82 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.90 0.00 0.00 58 E 7.59 4.04 0.00 2.13 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 2.52 2.60 0.00 59 K 8.07 4.19 0.00 1.58 1.76 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.29 7.81 60 F 7.67 4.89 0.00 3.27 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 61 L 7.92 4.24 0.00 1.70 1.78 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.56 4.17 0.00 1.81 1.65 0.00 3.20 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 63 Y 7.25 4.25 0.00 3.17 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.10 4.37 0.00 2.69 2.91 0.00 0.00 7.27 7.69 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 65 P 0.00 4.47 0.00 2.24 2.04 0.00 3.96 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00