NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3341 8.3044 120.3265 55.4600 32.1527 170.8240 2 K 3.5117 9.8563 130.8136 55.4770 32.6294 173.2769 3 I 4.8234 8.2819 126.3560 59.4486 42.1128 174.7018 4 K 4.6563 8.1924 122.2131 55.2953 34.6471 174.8570 5 L 4.9649 8.1086 115.4351 52.9981 46.5402 179.2796 6 V 4.1951 7.9797 112.7461 60.2321 30.7601 179.4231 7 R 4.4958 7.8686 115.2684 56.0397 31.1566 173.3652 8 S 4.6515 7.6754 114.1859 57.3233 66.7455 175.5821 9 V 4.4389 8.6665 122.2807 63.5736 32.0761 177.1362 10 I 3.8473 8.7514 115.4279 62.2587 38.3748 176.0255 11 G 3.8896 9.0241 108.2711 45.5107 0.0000 173.0648 12 R 4.4583 7.5157 118.4640 53.2198 32.1232 173.4028 13 P 4.4655 0.0000 0.0000 62.3701 31.8522 177.1582 14 G 3.7146 8.5141 106.9713 47.9077 0.0000 175.7848 15 N 4.3048 8.3123 117.9808 56.0615 37.0831 177.0405 16 Q 4.0082 7.6452 120.1698 58.1229 28.9893 177.8255 17 V 3.6934 7.4329 119.1970 65.3027 31.2892 176.4354 18 K 4.6325 7.5355 117.9188 57.4227 33.1834 177.5207 19 T 4.5539 7.6411 114.5977 63.2476 70.7651 176.8920 20 V 3.6327 8.1648 122.2323 65.5968 31.7194 177.6207 21 Q 4.1055 8.0478 117.2360 57.5862 28.8245 176.0406 22 A 4.2815 7.2731 118.6788 53.4164 19.8264 177.6387 23 L 4.4519 7.9276 124.7109 53.0514 40.4673 176.1672 24 G 3.6282 8.4216 113.9367 45.9778 0.0000 171.2021 25 L 4.4285 8.2661 126.7710 53.8818 44.9828 174.5118 26 R 4.4760 8.4833 125.0232 55.3424 32.0846 177.8070 27 K 3.9537 8.5412 121.6705 56.0269 31.0246 174.5843 28 I 4.4710 8.0580 115.9648 62.1502 39.6604 177.1903 29 G 4.0749 8.2136 108.4568 48.0483 0.0000 173.2222 30 D 4.7006 7.8749 118.5742 52.4458 43.5814 175.0805 31 S 4.7775 8.5417 119.6344 56.7599 65.5244 172.6857 32 R 4.6786 7.8933 120.7050 54.3662 33.6481 174.8957 33 E 4.3717 8.4335 119.0572 56.9483 29.8755 175.5595 34 V 4.4542 8.2618 114.1329 60.9288 35.1968 174.1716 35 S 3.8557 8.4147 109.6259 60.4916 62.5872 176.1400 36 D 4.6738 8.3746 109.6669 54.6139 43.0198 177.8450 37 T 4.4970 6.8941 116.5618 60.3975 69.8632 173.3545 38 P 4.2193 0.0000 0.0000 64.9736 31.8396 176.8473 39 A 4.6635 7.3464 120.9062 51.9761 18.1064 178.2090 40 V 4.4341 7.4740 116.5340 63.9251 34.9184 175.6372 41 R 4.0021 8.1599 119.2670 58.9256 30.4530 176.2196 42 G 4.2813 7.5216 104.8959 45.2323 0.0000 172.7399 43 M 4.8808 7.7540 110.8292 55.0967 34.2013 175.3429 44 V 4.4702 7.6846 109.1746 61.2747 36.0518 175.0980 45 K 4.5907 7.8921 118.8270 56.9517 29.6652 175.3733 46 T 4.6803 7.9993 116.2740 64.4500 75.1163 175.3310 47 V 4.5135 7.1632 116.4668 61.2738 31.8733 175.3859 48 K 3.9701 8.1625 123.9824 60.0414 32.6725 175.7139 49 H 4.9726 7.9837 118.5085 54.4523 27.0828 172.1281 50 L 4.2668 7.4613 128.2708 54.6044 46.8126 173.4983 51 L 4.8951 7.6854 120.5348 53.8124 44.1416 173.0147 52 E 4.8238 8.1690 116.5729 55.1420 32.8751 175.0848 53 V 3.7482 8.5092 118.2848 63.8281 31.5557 176.2335 54 Q 4.5109 7.5264 118.2504 55.1464 31.7347 173.2494 55 E 4.0730 8.5002 124.5757 56.6978 29.5587 176.1128 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 4.33 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 2 K 9.86 3.51 0.00 1.85 1.80 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.78 7.81 3 I 8.28 4.82 1.97 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 1.30 1.06 0.91 0.00 0.00 4 K 8.19 4.66 0.00 1.65 1.81 0.00 1.99 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.36 7.81 5 L 8.11 4.96 0.00 1.58 1.48 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.98 4.20 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 0.92 0.00 0.00 0.93 0.00 0.00 7 R 7.87 4.50 0.00 1.69 1.75 0.00 3.26 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.54 0.00 8 S 7.68 4.65 0.00 3.80 3.65 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 0.00 0.00 0.00 0.00 9 V 8.67 4.44 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 0.89 0.00 0.00 0.93 0.00 0.00 10 I 8.75 3.85 1.87 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 1.35 0.52 0.91 0.00 0.00 11 G 9.02 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 0.00 0.00 0.00 0.00 12 R 7.52 4.46 0.00 1.70 1.78 0.00 3.31 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 13 P 0.00 4.47 0.00 2.52 2.00 0.00 3.65 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 2.11 2.09 0.00 14 G 8.51 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.31 4.30 0.00 2.88 3.09 0.00 0.00 5.93 7.05 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 16 Q 7.65 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 17 V 7.43 3.69 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 1.05 0.00 0.00 0.98 0.00 0.00 18 K 7.54 4.63 0.00 1.94 1.81 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.52 7.81 19 T 7.64 4.55 4.32 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 1.27 0.00 0.00 20 V 8.16 3.63 2.20 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 0.92 0.00 0.00 0.95 0.00 0.00 21 Q 8.05 4.11 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 22 A 7.27 4.28 1.32 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 0.00 0.00 23 L 7.93 4.45 0.00 1.74 1.70 0.92 0.58 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 24 G 8.42 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 8.27 4.43 0.00 1.56 1.51 0.94 0.97 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 26 R 8.48 4.48 0.00 1.82 1.81 0.00 3.56 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 27 K 8.54 3.95 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.38 7.81 28 I 8.06 4.47 1.87 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 1.34 0.60 0.94 0.00 0.00 29 G 8.21 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 30 D 7.87 4.70 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.54 4.78 0.00 3.82 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 32 R 7.89 4.68 0.00 1.70 1.77 0.00 3.24 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 33 E 8.43 4.37 0.00 1.96 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 2.29 2.44 0.00 34 V 8.26 4.45 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 0.72 0.00 0.00 0.93 0.00 0.00 35 S 8.41 3.86 0.00 4.00 3.41 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 0.00 0.00 0.00 0.00 36 D 8.37 4.67 0.00 2.63 2.60 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 37 T 6.89 4.50 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 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 A 7.35 4.66 1.26 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 0.00 0.00 40 V 7.47 4.43 2.17 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 0.93 0.00 0.00 0.98 0.00 0.00 41 R 8.16 4.00 0.00 1.88 1.99 0.00 3.30 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 42 G 7.52 4.28 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 0.00 43 M 7.75 4.88 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 44 V 7.68 4.47 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 0.88 0.00 0.00 0.93 0.00 0.00 45 K 7.89 4.59 0.00 1.72 1.79 0.00 1.62 0.00 0.00 1.88 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.53 7.81 46 T 8.00 4.68 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 47 V 7.16 4.51 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 0.77 0.00 0.00 0.94 0.00 0.00 48 K 8.16 3.97 0.00 1.88 1.82 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.52 7.81 49 H 7.98 4.97 0.00 3.11 3.25 0.00 6.02 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.46 4.27 0.00 1.83 1.53 0.90 0.49 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 51 L 7.69 4.90 0.00 1.66 1.58 0.92 0.94 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 52 E 8.17 4.82 0.00 1.91 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 2.19 2.30 0.00 53 V 8.51 3.75 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 0.74 0.00 0.00 0.93 0.00 0.00 54 Q 7.53 4.51 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 55 E 8.50 4.07 0.00 1.94 1.89 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 2.29 2.32 0.00