NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.7427 8.1401 118.8133 57.3213 39.2000 174.4621 2 A 4.6369 8.4639 117.9049 51.7284 21.2881 174.7361 3 S 4.3940 8.5087 113.8160 58.6841 66.8249 172.0397 4 L 4.2702 8.6094 120.2691 57.1689 42.4017 177.1225 5 E 4.2374 7.9542 117.3009 56.9931 30.4615 175.7884 6 E 3.8547 8.1784 118.4961 56.8431 29.8749 176.4555 7 Q 4.8087 8.3590 123.8304 54.7504 32.2581 175.5688 8 N 5.0394 8.1447 124.1554 51.8698 35.9805 177.7028 9 N 4.4325 8.8343 112.5955 53.9243 40.2827 174.9642 10 D 4.8930 8.1383 118.4056 54.0689 40.7141 178.8755 11 A 4.2581 8.1779 135.0000 53.3858 24.2694 178.4549 12 L 4.5922 8.4546 121.2222 56.0391 43.9710 175.2440 13 S 4.7592 8.1314 112.4737 55.7012 66.4904 172.8934 14 P 4.2164 0.0000 0.0000 66.1099 30.8448 178.1986 15 A 3.9980 8.1237 119.7451 54.3632 17.9143 178.7458 16 I 3.7951 7.4635 116.5305 64.1346 37.8997 177.8186 17 R 4.1392 8.0972 118.8054 59.1474 30.2304 178.7590 18 R 4.1023 7.8194 115.9369 57.6138 29.6654 178.1414 19 L 3.8636 8.3616 121.6325 58.2742 41.8911 178.8648 20 L 4.0409 7.7895 118.7121 57.3528 41.4631 179.0406 21 A 4.1611 8.2162 121.0500 54.3808 18.5078 178.8728 22 E 3.7916 8.1408 117.0690 59.5411 29.5606 177.2675 23 H 4.6612 7.6317 111.5744 54.9109 29.2013 174.2156 24 N 4.2075 8.2919 117.4540 54.8914 37.5506 173.6046 25 L 4.8154 8.2708 115.8178 52.6905 44.6824 176.2457 26 D 4.7332 8.3699 121.9465 53.0353 42.3572 177.2995 27 A 4.3146 8.4422 124.8319 53.3136 18.8730 179.4697 28 S 4.0699 7.6006 109.6380 61.2030 62.8719 176.0007 29 A 4.0944 7.5922 122.0151 53.3952 18.4672 177.2158 30 I 4.3385 7.2403 116.3606 59.8704 39.0319 175.1024 31 K 4.5754 8.1385 119.6481 55.1335 35.4953 177.7630 32 G 3.9542 8.4490 113.4688 44.6803 0.0000 173.3703 33 T 4.1609 7.8808 119.6936 61.8982 69.3956 176.4328 34 G 3.8291 7.8616 111.0833 46.1565 0.0000 175.2242 35 V 3.7687 8.2300 118.3753 64.9795 31.8727 176.6283 36 G 4.0973 7.8707 109.5520 44.6455 0.0000 175.0962 37 G 3.9140 8.4807 106.5303 45.5506 0.0000 174.2182 38 R 3.7751 7.6233 118.5532 55.9669 29.6145 176.0415 39 L 3.8011 8.5524 125.8787 55.7606 41.9614 176.8958 40 T 4.4031 8.1611 116.8583 60.7078 70.9352 174.6778 41 R 4.2560 8.2086 118.8253 57.5765 30.0728 176.8076 42 E 4.2034 7.5560 117.0640 58.1074 29.7683 177.0116 43 D 4.6107 7.8555 117.0770 56.7026 41.6433 177.8061 44 V 3.9244 7.5595 116.8061 63.9451 31.5743 177.3565 45 E 3.9704 7.7221 118.3990 59.3728 30.0612 178.0364 46 K 4.4267 7.9041 117.2416 56.2466 32.0880 176.6367 47 H 4.9440 7.9262 116.5946 57.8038 36.8213 173.9816 48 L 4.7976 7.1471 121.4431 53.8584 40.7659 179.5407 49 A 4.2126 8.3057 133.8531 52.5458 20.3027 175.6555 50 K 4.4070 8.4846 115.8733 56.0246 34.0556 176.6253 51 A 4.1981 8.0641 121.5435 52.7698 19.1838 176.0261 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 Y 8.14 4.74 0.00 3.05 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.46 4.64 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 4.39 0.00 3.83 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 4 L 8.61 4.27 0.00 1.60 1.67 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 5 E 7.95 4.24 0.00 1.91 1.96 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 2.23 2.27 0.00 6 E 8.18 3.85 0.00 2.05 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 2.35 2.45 0.00 7 Q 8.36 4.81 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 8 N 8.14 5.04 0.00 2.77 2.12 0.00 0.00 5.94 8.06 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 9 N 8.83 4.43 0.00 2.72 2.82 0.00 0.00 6.68 8.04 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 10 D 8.14 4.89 0.00 2.63 1.83 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 0.00 0.00 0.00 0.00 11 A 8.18 4.26 1.01 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 0.00 0.00 12 L 8.45 4.59 0.00 1.65 1.66 0.92 0.73 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 13 S 8.13 4.76 0.00 3.93 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 14 P 0.00 4.22 0.00 2.28 2.35 0.00 3.71 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 15 A 8.12 4.00 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 16 I 7.46 3.80 1.99 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 0.86 0.96 0.00 0.00 17 R 8.10 4.14 0.00 1.98 1.94 0.00 3.34 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 18 R 7.82 4.10 0.00 1.81 1.95 0.00 3.30 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 19 L 8.36 3.86 0.00 1.87 1.78 0.96 0.63 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 20 L 7.79 4.04 0.00 1.70 1.83 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.22 4.16 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.14 3.79 0.00 1.83 1.71 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 2.24 2.22 0.00 23 H 7.63 4.66 0.00 3.22 3.29 0.00 5.85 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.29 4.21 0.00 2.81 2.89 0.00 0.00 6.92 7.56 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 25 L 8.27 4.82 0.00 1.62 1.55 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 D 8.37 4.73 0.00 2.77 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 27 A 8.44 4.31 1.28 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 0.00 0.00 0.00 28 S 7.60 4.07 0.00 4.03 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 29 A 7.59 4.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.24 4.34 1.91 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.82 0.92 0.00 0.00 31 K 8.14 4.58 0.00 1.67 1.64 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.41 7.81 32 G 8.45 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.88 4.16 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 34 G 7.86 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.23 3.77 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 0.76 0.00 0.00 0.93 0.00 0.00 36 G 7.87 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.48 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 38 R 7.62 3.78 0.00 1.84 1.93 0.00 3.19 0.00 0.00 3.15 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 39 L 8.55 3.80 0.00 1.57 1.63 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.16 4.40 4.24 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 0.00 0.00 0.00 1.25 0.00 0.00 41 R 8.21 4.26 0.00 1.90 1.95 0.00 3.18 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 1.65 1.68 0.00 42 E 7.56 4.20 0.00 1.87 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 2.32 2.49 0.00 43 D 7.86 4.61 0.00 2.68 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 44 V 7.56 3.92 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 1.14 0.00 0.00 0.98 0.00 0.00 45 E 7.72 3.97 0.00 2.10 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 2.32 2.35 0.00 46 K 7.90 4.43 0.00 1.80 1.82 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.43 7.81 47 H 7.93 4.94 0.00 3.01 3.30 0.00 5.92 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.15 4.80 0.00 1.67 0.63 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.31 4.21 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 50 K 8.48 4.41 0.00 1.75 1.76 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 51 A 8.06 4.20 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00