NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4599 8.2893 120.3487 54.4409 33.4990 175.0508 2 V 4.1189 6.8067 114.6268 60.3824 34.0728 171.1962 3 A 4.2009 8.7596 122.1872 51.5807 22.4753 176.9320 4 A 4.1001 8.9995 127.0941 54.9015 18.4872 177.3344 5 A 4.8547 7.6698 114.8478 53.3178 26.3000 176.1914 6 M 4.9375 7.8498 111.5691 56.3988 38.5487 175.3441 7 L 4.6942 7.1477 115.5838 53.9113 47.2537 176.9066 8 L 4.6618 7.1985 115.3324 55.5196 41.0503 174.6909 9 R 4.6544 7.9691 126.9147 56.8339 31.7752 175.1497 10 S 4.6880 8.1867 109.9996 58.4212 62.8509 172.9002 11 C 4.6708 7.7821 117.7817 56.3281 33.0316 171.1900 12 P 4.4863 0.0000 0.0000 62.8072 31.6925 175.9387 13 V 4.0616 8.1619 119.2225 63.3899 32.2082 175.6492 14 L 3.5925 7.9214 116.0953 55.2966 38.2682 174.4489 15 S 4.1582 8.1807 115.5893 61.1069 63.5980 175.0247 16 Q 4.5627 7.8467 117.7308 54.9184 26.9876 173.7920 17 G 3.9358 6.9168 104.9864 46.0852 0.0000 170.9634 18 P 4.5988 0.0000 0.0000 61.8156 32.7563 177.3706 19 T 4.4996 7.9513 108.4535 60.3713 69.1608 174.3288 20 G 4.0563 8.0905 125.8531 45.2277 0.0000 173.3737 21 L 4.6344 6.9391 118.6794 51.7225 43.1100 173.0155 22 L 4.3313 7.6979 130.5543 55.4222 46.7891 176.3443 23 G 3.7653 7.6262 106.3165 47.0969 0.0000 174.6225 24 K 4.1300 7.9185 119.8107 57.5945 32.7484 177.5841 25 V 4.2272 7.7198 116.7153 63.9981 32.3407 177.0471 26 A 4.1391 7.8884 120.6183 54.6535 18.6176 179.0743 27 K 3.8921 7.9746 116.1053 60.1724 32.2528 179.1892 28 T 3.9559 8.1146 114.9429 67.3913 68.3121 175.4758 29 Y 3.9569 8.0447 120.9128 60.8455 38.6983 177.7534 30 Q 3.7944 8.8115 119.9419 58.6109 29.1997 177.4633 31 F 4.6948 7.9880 120.0453 59.7604 40.4953 177.2440 32 L 3.9588 8.6992 118.7302 57.5592 41.4386 178.1091 33 F 3.7027 8.2319 120.8615 60.8758 39.2322 176.0901 34 S 4.5665 7.5924 115.4510 55.8540 64.7047 174.4624 35 I 3.1354 8.2274 124.3812 61.2367 36.1526 175.5944 36 G 3.6544 8.7636 119.8850 45.1843 0.0000 173.7836 37 R 5.5702 7.1568 135.0000 57.3283 30.3571 174.5796 38 C 4.9570 7.4381 113.7283 56.7006 31.7136 171.6739 39 P 4.4083 0.0000 0.0000 62.7603 31.6346 176.0988 40 I 4.0318 8.0364 121.7704 62.3093 39.2967 175.0195 41 L 4.5143 7.3135 116.5190 53.4130 43.3516 175.6467 42 A 4.6744 7.2821 118.0467 52.1050 21.1474 175.3733 43 T 4.4469 7.8286 109.7204 62.3944 71.4649 174.5247 44 Q 4.5917 7.9463 122.0319 55.9491 35.7753 174.0770 45 G 4.0312 7.8253 109.0636 42.8635 0.0000 170.6765 46 P 4.3459 0.0000 0.0000 66.0362 32.0504 178.8304 47 T 3.9508 7.8757 114.4305 65.5531 68.9083 172.2966 48 C 3.9507 7.9065 124.6027 58.7005 32.4952 172.8756 49 S 4.3545 8.5159 118.2312 58.5839 62.9307 173.9237 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 8.29 4.46 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 2 V 6.81 4.12 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 0.63 0.00 0.00 0.93 0.00 0.00 3 A 8.76 4.20 1.21 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 0.00 0.00 0.00 4 A 9.00 4.10 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 5 A 7.67 4.85 1.24 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 0.00 0.00 0.00 6 M 7.85 4.94 0.00 1.96 2.04 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 2.50 2.50 0.00 7 L 7.15 4.69 0.00 1.57 1.57 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.20 4.66 0.00 1.66 1.62 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.97 4.65 0.00 1.76 1.90 0.00 3.35 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 10 S 8.19 4.69 0.00 3.82 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 11 C 7.78 4.67 0.00 2.96 2.79 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 0.00 0.00 0.00 12 P 0.00 4.49 0.00 2.22 2.03 0.00 3.80 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 1.98 1.95 0.00 13 V 8.16 4.06 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 0.78 0.00 0.00 0.93 0.00 0.00 14 L 7.92 3.59 0.00 1.83 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.18 4.16 0.00 3.83 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 7.85 4.56 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 17 G 6.92 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 0.00 0.00 0.00 18 P 0.00 4.60 0.00 2.19 2.08 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 19 T 7.95 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 20 G 8.09 4.06 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 0.00 0.00 0.00 21 L 6.94 4.63 0.00 1.53 1.52 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.70 4.33 0.00 1.69 1.54 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 23 G 7.63 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.92 4.13 0.00 1.73 1.85 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.42 7.81 25 V 7.72 4.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.95 0.00 0.00 26 A 7.89 4.14 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 K 7.97 3.89 0.00 1.97 1.90 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.64 7.81 28 T 8.11 3.96 4.38 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 1.31 0.00 0.00 29 Y 8.04 3.96 0.00 3.26 3.17 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 30 Q 8.81 3.79 0.00 2.26 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.48 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 31 F 7.99 4.69 0.00 3.24 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 32 L 8.70 3.96 0.00 1.80 1.61 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.23 3.70 0.00 2.81 2.92 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 34 S 7.59 4.57 0.00 3.91 3.68 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 35 I 8.23 3.14 1.75 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.82 0.00 0.00 36 G 8.76 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 0.00 0.00 0.00 37 R 7.16 5.57 0.00 1.90 2.08 0.00 3.37 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.36 0.00 38 C 7.44 4.96 0.00 2.92 2.79 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 0.00 0.00 0.00 39 P 0.00 4.41 0.00 2.17 2.14 0.00 3.75 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 1.98 1.94 0.00 40 I 8.04 4.03 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.11 0.88 0.00 0.00 41 L 7.31 4.51 0.00 1.54 1.50 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.28 4.67 1.20 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 0.00 0.00 43 T 7.83 4.45 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 44 Q 7.95 4.59 0.00 1.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.12 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 45 G 7.83 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.35 0.00 2.18 2.18 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 47 T 7.88 3.95 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 48 C 7.91 3.95 0.00 3.10 2.94 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 49 S 8.52 4.35 0.00 4.01 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00