NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3140 8.1631 117.3743 62.9642 69.8703 173.4932 2 G 3.4796 8.5941 115.8385 45.2559 0.0000 171.8127 3 A 4.3834 8.1625 124.6792 52.4134 21.2716 176.3023 4 G 4.3166 7.3279 107.5678 44.6899 0.0000 175.8349 5 T 3.8693 9.1247 122.1152 66.0941 68.0133 173.9301 6 P 4.3003 0.0000 0.0000 65.9197 30.8106 177.7481 7 S 4.4635 8.0696 112.8077 59.5275 62.8232 175.7742 8 Q 4.3101 8.1940 121.7456 57.8854 28.3655 178.2074 9 G 3.6065 7.5790 107.3435 48.0181 0.0000 174.5614 10 K 4.2893 7.8936 116.8381 56.8559 32.4574 178.1139 11 K 4.3815 7.4587 120.9498 55.3251 30.1104 176.0108 12 N 5.0599 8.0111 117.2531 52.4185 38.4762 175.0926 13 T 4.4124 7.9400 114.5661 63.2559 69.9513 174.2384 14 T 4.4594 8.3433 122.2419 62.2962 69.3894 172.6197 15 T 4.3013 7.5391 115.4576 63.0920 71.3829 173.0660 16 H 4.8321 7.9770 119.5251 55.1039 29.9956 174.5927 17 T 4.8329 9.4902 113.5078 59.0167 72.9885 172.9932 18 K 4.2241 8.7965 122.8074 57.5439 32.7092 175.2451 19 C 4.2949 9.0765 128.4848 58.3593 32.3447 174.4764 20 R 3.7139 8.3194 126.2993 59.1945 30.1305 177.6109 21 R 3.6922 7.2905 116.9900 58.3537 30.2015 176.5041 22 C 4.4079 7.9550 109.1824 57.4858 31.0383 174.6806 23 G 3.9153 8.1592 108.3632 45.0482 0.0000 173.2530 24 E 4.3370 7.6558 119.2260 54.7116 31.2386 176.6134 25 K 4.5643 8.1938 124.1448 56.9691 30.4128 176.9529 26 S 4.7838 7.9301 113.5950 58.3730 65.8252 174.6666 27 Y 4.6429 8.9710 123.8759 57.1877 39.4611 174.3548 28 H 4.3351 9.0124 129.1476 56.0728 29.8618 175.5979 29 T 3.5072 8.8402 121.9952 63.9953 67.0289 175.2765 30 K 4.2336 8.1417 119.4668 58.9771 32.8003 177.8875 31 K 4.0313 7.9511 115.3961 56.1156 32.9447 176.4735 32 K 3.2584 8.5354 119.3449 56.5894 29.9751 175.4049 33 V 4.6340 6.5084 116.4761 61.4477 35.1510 172.5634 34 C 5.0265 9.3165 128.3338 58.6281 32.0407 174.3194 35 S 4.4281 8.9157 121.9417 60.1249 63.2675 175.2252 36 S 4.4559 8.2269 115.5563 60.3448 62.8510 174.3272 37 C 4.4359 8.1821 112.7524 57.7065 30.5184 174.9756 38 G 3.9659 8.3166 109.3953 45.0349 0.0000 173.1544 39 F 4.5019 8.1196 122.4682 60.0106 39.6579 175.7430 40 G 3.7256 8.6000 115.5586 45.9875 0.0000 173.5529 41 K 4.3432 7.8561 118.1701 57.0148 34.0868 175.9016 42 S 4.7091 8.2547 111.1645 56.0703 65.2390 173.6019 43 A 4.2024 8.6782 129.4921 54.9655 18.5543 178.6492 44 K 4.2588 7.5012 114.1086 56.0105 32.8039 177.0623 45 R 4.3020 8.2505 121.1657 55.8290 30.7665 176.5958 46 R 3.8630 8.7019 125.2871 56.9302 30.5468 175.2426 47 D 4.3966 7.4958 122.9337 53.6927 44.3811 174.0367 48 Y 4.4623 8.1758 121.2032 55.8581 41.7098 176.5811 49 E 4.0094 8.5932 121.9485 58.8327 29.8155 178.6082 50 W 4.6905 7.6602 113.4669 57.3624 28.3731 176.6744 51 Q 4.3613 7.6516 117.5351 57.1376 28.2248 175.2645 52 S 4.6795 7.4789 110.5033 56.4685 66.4747 174.0027 53 K 4.1045 8.4979 119.5827 56.2161 32.3964 178.1225 54 A 3.9893 8.8846 125.4867 55.3782 18.2763 178.8313 55 G 3.9845 8.0146 101.2101 45.3908 0.0000 173.2338 56 E 4.2185 8.0814 126.4010 56.0789 29.8496 175.3081 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 T 8.16 4.31 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 2 G 8.59 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.38 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 4 G 7.33 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 0.00 0.00 0.00 0.00 5 T 9.12 3.87 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 6 P 0.00 4.30 0.00 2.26 2.31 0.00 3.60 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 2.21 2.06 0.00 7 S 8.07 4.46 0.00 4.17 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.19 4.31 0.00 2.20 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.65 2.51 0.00 9 G 7.58 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.89 4.29 0.00 1.76 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.45 7.81 11 K 7.46 4.38 0.00 1.85 1.78 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.37 7.81 12 N 8.01 5.06 0.00 2.77 2.82 0.00 0.00 6.31 7.71 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 13 T 7.94 4.41 4.23 0.00 0.00 0.00 0.00 0.00 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 14 T 8.34 4.46 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 15 T 7.54 4.30 3.64 0.00 0.00 0.00 0.00 0.00 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 16 H 7.98 4.83 0.00 3.08 3.52 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 9.49 4.83 4.34 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 1.32 0.00 0.00 18 K 8.80 4.22 0.00 1.79 1.81 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.51 7.81 19 C 9.08 4.29 0.00 3.19 2.82 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 20 R 8.32 3.71 0.00 1.54 1.48 0.00 3.18 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 21 R 7.29 3.69 0.00 0.67 1.43 0.00 3.25 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 0.00 22 C 7.96 4.41 0.00 3.07 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.16 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 24 E 7.66 4.34 0.00 1.94 1.90 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 2.38 2.27 0.00 25 K 8.19 4.56 0.00 1.80 1.79 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.58 1.51 7.81 26 S 7.93 4.78 0.00 3.87 3.87 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 27 Y 8.97 4.64 0.00 3.10 3.12 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 0.00 0.00 0.00 0.00 28 H 9.01 4.34 0.00 3.23 3.05 0.00 5.84 0.00 0.00 0.00 0.00 6.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.84 3.51 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 1.21 0.00 0.00 30 K 8.14 4.23 0.00 1.86 1.84 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 31 K 7.95 4.03 0.00 1.55 1.72 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.41 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.20 0.90 7.81 32 K 8.54 3.26 0.00 1.77 1.87 0.00 1.80 0.00 0.00 1.49 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.51 7.81 33 V 6.51 4.63 2.01 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 1.08 0.00 0.00 0.95 0.00 0.00 34 C 9.32 5.03 0.00 3.42 3.12 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 0.00 0.00 0.00 0.00 35 S 8.92 4.43 0.00 4.10 4.08 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 0.00 0.00 0.00 0.00 36 S 8.23 4.46 0.00 3.91 3.97 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 37 C 8.18 4.44 0.00 3.16 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 38 G 8.32 3.97 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 0.00 0.00 0.00 39 F 8.12 4.50 0.00 3.09 3.15 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 40 G 8.60 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 0.00 0.00 0.00 41 K 7.86 4.34 0.00 1.70 2.00 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.39 7.81 42 S 8.25 4.71 0.00 3.81 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.68 4.20 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.50 4.26 0.00 1.69 1.72 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.40 7.81 45 R 8.25 4.30 0.00 1.65 1.83 0.00 3.38 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 46 R 8.70 3.86 0.00 1.84 1.99 0.00 3.46 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.71 0.00 47 D 7.50 4.40 0.00 2.49 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 0.00 0.00 0.00 0.00 48 Y 8.18 4.46 0.00 1.43 1.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.59 4.01 0.00 2.06 2.03 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 2.39 2.26 0.00 50 W 7.66 4.69 0.00 3.47 3.19 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 0.00 0.00 0.00 0.00 51 Q 7.65 4.36 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.18 1.68 0.00 52 S 7.48 4.68 0.00 3.99 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.50 4.10 0.00 1.83 1.80 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.41 7.81 54 A 8.88 3.99 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 55 G 8.01 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 8.08 4.22 0.00 1.91 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 2.21 2.21 0.00