NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3997 8.1627 120.3490 55.4652 34.4791 176.8840 2 L 3.7221 8.0488 119.6927 57.9911 41.7996 177.1646 3 T 4.0329 8.1133 112.7567 65.3293 67.4520 175.0628 4 I 3.7127 7.6895 120.2144 63.4376 37.9535 177.6781 5 T 4.0510 7.9428 116.5339 66.7234 68.8727 176.8871 6 S 4.3221 8.8157 117.9561 62.6364 62.7466 175.4067 7 Y 4.0696 8.5238 122.4174 60.3641 38.3522 177.9145 8 V 3.5094 8.2443 118.9683 66.3063 31.7290 178.7042 9 G 3.5257 8.5864 105.8112 47.7128 0.0000 175.5822 10 L 3.9441 8.5040 122.3521 56.8711 41.6381 179.4532 11 L 3.7114 8.2958 120.5504 58.3318 42.0089 178.9875 12 I 3.7541 7.6803 119.6906 64.3209 37.0409 178.5397 13 G 3.6339 8.3491 106.5323 47.7900 0.0000 175.2730 14 A 4.0486 8.4630 124.1240 54.9059 18.4233 179.3034 15 L 3.9598 8.0698 118.6897 58.3914 41.9367 179.4460 16 V 3.5582 7.9401 118.0105 66.0228 31.6221 177.4517 17 F 4.0747 8.7489 120.7720 62.7598 39.0304 176.5672 18 T 3.8323 8.7682 115.8040 65.4023 68.0151 176.0871 19 L 4.1898 8.5396 121.2355 58.8161 42.0341 179.5827 20 G 3.6273 8.9983 106.3469 48.1443 0.0000 175.5771 21 I 3.7102 7.8316 122.1985 63.7541 37.1313 177.7855 22 Y 4.2684 8.3620 120.9586 60.7638 38.6851 177.9487 23 L 3.6573 8.3978 120.1741 57.6697 41.7526 180.0056 24 G 3.6316 8.4692 106.0941 47.5796 0.0000 175.4415 25 L 4.0231 8.1539 122.5250 57.0434 42.0864 178.6954 26 L 3.9740 8.1580 120.8808 57.7283 42.0405 178.4818 27 K 4.0827 8.0972 116.5651 58.2035 32.6567 178.5564 28 V 3.6541 7.5210 117.6880 65.6746 31.7470 176.9569 29 V 3.7988 7.9511 117.1127 62.5944 32.2800 175.7491 30 K 4.5976 7.5697 116.4598 57.2071 29.2389 173.4559 31 L 4.4811 8.3189 120.5394 56.1675 44.3383 176.0726 32 I 4.0104 7.6690 122.4077 61.5150 37.1669 175.4852 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 4.40 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 2 L 8.05 3.72 0.00 1.83 1.69 0.93 0.38 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 3 T 8.11 4.03 4.26 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 1.23 0.00 0.00 4 I 7.69 3.71 1.85 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 1.44 1.41 0.96 0.00 0.00 5 T 7.94 4.05 4.47 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 0.00 0.00 0.00 1.23 0.00 0.00 6 S 8.82 4.32 0.00 3.84 3.96 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 7 Y 8.52 4.07 0.00 3.14 3.06 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 8 V 8.24 3.51 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 0.98 0.00 0.00 1.22 0.00 0.00 9 G 8.59 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.50 3.94 0.00 1.76 1.66 0.91 0.54 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 11 L 8.30 3.71 0.00 1.35 1.45 0.77 1.15 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 12 I 7.68 3.75 2.08 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 1.44 0.56 0.91 0.00 0.00 13 G 8.35 3.63 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 0.00 0.00 0.00 14 A 8.46 4.05 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 15 L 8.07 3.96 0.00 1.77 1.90 0.94 0.77 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 16 V 7.94 3.56 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 17 F 8.75 4.07 0.00 3.07 3.28 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 18 T 8.77 3.83 4.45 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 1.20 0.00 0.00 19 L 8.54 4.19 0.00 1.89 1.80 0.99 0.83 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 20 G 9.00 3.63 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 0.00 0.00 0.00 21 I 7.83 3.71 1.60 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.06 0.80 0.00 0.00 22 Y 8.36 4.27 0.00 2.87 3.04 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 23 L 8.40 3.66 0.00 1.62 1.53 0.83 0.33 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 24 G 8.47 3.63 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 0.00 0.00 0.00 25 L 8.15 4.02 0.00 2.17 1.70 0.91 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.16 3.97 0.00 1.79 1.49 0.94 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.10 4.08 0.00 1.73 1.77 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.27 7.81 28 V 7.52 3.65 2.21 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 0.74 0.00 0.00 0.89 0.00 0.00 29 V 7.95 3.80 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 0.82 0.00 0.00 0.92 0.00 0.00 30 K 7.57 4.60 0.00 1.85 1.76 0.00 1.80 0.00 0.00 2.27 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.38 7.81 31 L 8.32 4.48 0.00 1.54 1.65 0.92 1.29 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 I 7.67 4.01 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 1.00 0.00 0.00