NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7571 8.3249 119.3527 57.3638 40.3854 173.8028 2 E 4.5144 8.5401 121.3328 53.5352 32.3592 174.6926 3 N 4.6085 9.4532 121.5817 53.5701 38.8617 174.3743 4 R 4.6652 8.2420 125.8014 56.0496 31.2350 179.1618 5 V 3.6390 8.1447 120.0503 65.9612 31.4330 177.0668 6 A 4.1705 8.1727 120.1645 55.7497 17.9782 179.3693 7 E 3.9681 8.1676 116.1296 59.3926 29.4955 179.6289 8 K 4.0974 7.8522 117.3807 59.5373 32.2883 179.0640 9 Q 4.0799 8.6914 118.7582 59.1239 28.4562 179.5284 10 K 3.9089 7.8556 118.8746 59.3942 32.0908 178.0809 11 L 3.9031 7.9964 120.7807 58.2860 41.7592 178.6213 12 F 4.2281 8.2712 114.8308 58.6225 39.1713 176.7561 13 Q 4.5685 7.5212 116.0030 54.2418 29.2705 175.1124 14 E 3.9586 7.2191 121.8149 56.3140 30.1586 177.4877 15 D 4.6615 8.4859 127.2865 53.4251 39.2623 174.8662 16 N 4.8004 7.9454 114.8530 51.4143 38.3444 176.7960 17 G 3.9211 8.2637 105.9688 45.8943 0.0000 174.0540 18 L 4.1285 7.7748 120.5692 53.4918 42.2848 175.4324 19 P 4.5550 0.0000 0.0000 62.0282 32.2739 177.6292 20 V 3.7033 8.4020 118.9319 65.0259 31.2964 177.7423 21 H 4.4611 8.2642 114.0058 56.9866 28.7161 175.5020 22 L 4.6765 8.0851 119.5870 54.3494 42.4865 177.6622 23 K 4.0972 8.0092 120.3937 57.9108 32.3529 177.9353 24 G 3.6649 8.7587 107.1625 46.3840 0.0000 172.2467 25 G 3.7192 7.5385 105.3680 44.3181 0.0000 174.2659 26 A 4.0489 8.8027 119.9087 55.4116 18.2540 180.1019 27 T 3.8547 7.9783 114.0791 67.0085 68.4264 176.1713 28 D 4.4205 8.0662 120.2855 57.4637 40.7255 178.7064 29 N 4.4568 8.0022 116.5268 56.2309 38.6001 177.3799 30 I 3.7042 7.5792 121.2989 64.2815 37.1820 177.9860 31 L 3.9338 8.1408 121.3169 58.4740 41.8751 178.2557 32 Y 4.1445 8.3339 119.4279 61.1151 38.7754 178.5646 33 R 3.7624 8.3584 118.8707 58.6708 30.0427 179.2860 34 V 3.5195 7.9597 118.5053 66.2168 31.5744 178.1268 35 T 3.7816 7.9805 115.6269 66.9957 68.2713 176.3850 36 M 3.9046 8.0439 120.3480 58.7425 32.1270 178.3906 37 T 3.8019 7.8740 115.9527 66.5160 68.5599 176.5432 38 L 3.9747 7.9915 120.9361 57.9865 41.6003 179.4476 39 C 4.1246 8.1268 116.4106 62.9753 28.1356 176.2941 40 L 4.1097 8.2685 120.9886 57.5346 41.0939 179.8936 41 G 3.6599 8.6247 106.3174 47.7869 0.0000 175.8133 42 G 3.8035 8.4208 109.2314 47.9195 0.0000 175.7956 43 T 3.9325 8.1575 118.1055 66.3434 68.4898 176.7949 44 L 4.0501 8.1274 120.9296 58.0266 41.6826 178.8358 45 Y 4.5307 8.9940 120.8410 60.9281 38.6085 178.5075 46 S 3.9883 8.5650 115.6326 61.1432 63.0865 176.3717 47 L 3.9471 8.1448 122.6804 57.8294 41.4671 178.5021 48 Y 4.1696 8.0811 119.3350 61.4514 38.5552 178.3951 49 C 4.0778 8.1250 117.1761 62.4276 28.2491 175.8755 50 L 4.0257 8.4156 122.6803 58.1464 41.5069 179.1703 51 G 3.7614 8.0658 104.6086 47.5808 0.0000 175.1843 52 W 4.2078 8.1626 130.2998 60.2425 30.6481 178.0857 53 A 3.6620 8.2623 119.1448 54.5538 17.8418 178.9782 54 S 4.0693 7.5564 111.7394 58.7935 63.4005 174.1050 55 F 4.7532 6.8378 119.9365 54.1502 42.1544 173.2228 56 P 4.2660 0.0000 0.0000 63.3444 31.7103 176.1158 57 H 4.4676 8.3233 115.8937 56.1570 29.4655 173.5345 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 F 8.32 4.76 0.00 3.10 3.11 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 2 E 8.54 4.51 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 3 N 9.45 4.61 0.00 2.71 2.79 0.00 0.00 6.91 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 4 R 8.24 4.67 0.00 1.89 1.91 0.00 3.43 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.56 0.00 5 V 8.14 3.64 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 0.83 0.00 0.00 0.96 0.00 0.00 6 A 8.17 4.17 1.35 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 0.00 0.00 7 E 8.17 3.97 0.00 2.05 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 0.00 2.42 2.61 0.00 8 K 7.85 4.10 0.00 2.09 2.06 0.00 1.95 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.67 1.70 7.81 9 Q 8.69 4.08 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.60 0.00 10 K 7.86 3.91 0.00 1.77 1.99 0.00 1.81 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.43 7.81 11 L 8.00 3.90 0.00 1.62 1.55 0.68 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.27 4.23 0.00 3.18 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 13 Q 7.52 4.57 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 14 E 7.22 3.96 0.00 2.13 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 15 D 8.49 4.66 0.00 2.67 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 16 N 7.95 4.80 0.00 2.77 2.81 0.00 0.00 6.37 7.00 0.00 0.00 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 G 8.26 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 18 L 7.77 4.13 0.00 1.79 1.58 0.92 0.80 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 19 P 0.00 4.55 0.00 2.25 2.18 0.00 3.61 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 1.80 1.86 0.00 20 V 8.40 3.70 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 21 H 8.26 4.46 0.00 3.31 3.45 0.00 5.46 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.09 4.68 0.00 1.53 1.56 0.71 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.01 4.10 0.00 1.93 2.14 0.00 2.03 0.00 0.00 2.00 0.00 0.00 2.90 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.25 1.30 7.81 24 G 8.76 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.54 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 0.00 0.00 0.00 26 A 8.80 4.05 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 27 T 7.98 3.85 4.27 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 1.24 0.00 0.00 28 D 8.07 4.42 0.00 2.96 2.90 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 29 N 8.00 4.46 0.00 2.93 2.93 0.00 0.00 7.15 7.27 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 30 I 7.58 3.70 2.08 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 0.79 0.93 0.00 0.00 31 L 8.14 3.93 0.00 1.96 1.76 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.33 4.14 0.00 3.19 3.30 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 33 R 8.36 3.76 0.00 1.96 1.93 0.00 3.28 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 34 V 7.96 3.52 2.25 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 1.01 0.00 0.00 0.94 0.00 0.00 35 T 7.98 3.78 4.30 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 1.19 0.00 0.00 36 M 8.04 3.90 0.00 1.62 1.45 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 37 T 7.87 3.80 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 1.17 0.00 0.00 38 L 7.99 3.97 0.00 1.81 1.71 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.13 4.12 0.00 3.08 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 40 L 8.27 4.11 0.00 1.65 1.71 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.62 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.42 3.80 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 0.00 0.00 0.00 43 T 8.16 3.93 4.40 0.00 0.00 0.00 0.00 0.00 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 44 L 8.13 4.05 0.00 1.93 1.79 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.99 4.53 0.00 2.96 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.57 3.99 0.00 4.01 4.18 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 47 L 8.14 3.95 0.00 1.94 1.82 1.01 0.60 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 48 Y 8.08 4.17 0.00 3.24 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.12 4.08 0.00 3.00 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 50 L 8.42 4.03 0.00 1.80 1.89 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.07 3.76 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 0.00 0.00 0.00 52 W 8.16 4.21 0.00 3.10 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.26 3.66 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 7.56 4.07 0.00 3.94 3.27 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 55 F 6.84 4.75 0.00 2.71 2.73 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 56 P 0.00 4.27 0.00 2.10 1.98 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 57 H 8.32 4.47 0.00 3.01 3.25 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00