NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.2648 8.4449 118.7881 55.8115 29.9686 175.1483 2 K 3.9163 8.2284 123.9045 54.0071 32.9575 175.1694 3 I 4.6295 7.5191 115.6483 58.3026 41.2785 173.1453 4 P 4.6096 0.0000 0.0000 63.2500 33.0301 175.5515 5 C 5.2175 8.9383 117.8040 55.7545 43.5164 172.8358 6 S 4.9987 8.3844 114.8048 56.6396 65.0891 172.5724 7 Q 3.9728 8.1178 116.3869 55.0153 28.6787 176.2975 8 P 3.2353 0.0000 0.0000 61.1786 31.7675 173.9449 9 P 4.5077 0.0000 0.0000 62.8732 31.9259 175.1677 10 Q 4.6628 8.3073 116.3171 53.9935 31.8945 175.8837 11 I 4.1683 7.5021 114.6554 59.6619 38.5093 174.9279 12 E 3.5104 7.9653 123.3430 57.0118 27.5103 175.3489 13 H 4.5160 9.1436 122.6765 55.1784 26.4445 175.5052 14 G 4.2684 7.5781 104.9886 44.9464 0.0000 172.2260 15 T 5.2015 8.3331 109.4305 59.8355 72.8614 172.9397 16 I 3.3931 8.1641 121.5615 59.7944 38.7167 175.1380 17 N 4.9908 7.3737 120.0247 51.7321 36.9982 174.3108 18 S 4.2920 8.8734 114.6596 61.4573 64.0723 172.6637 19 S 4.1449 9.3161 114.5797 60.5637 61.5463 177.7307 20 R 3.0587 6.8604 117.3973 57.5842 31.5757 176.6277 21 S 4.5142 7.6489 123.6616 56.9288 63.8703 172.6634 22 S 4.4732 8.6957 118.7505 59.2480 64.1149 173.5939 23 Q 4.6807 7.6535 115.1893 54.1311 32.2892 174.4153 24 E 4.4370 8.4650 115.3725 57.3652 31.5093 176.1074 25 S 5.1893 7.5828 110.3801 56.6796 65.6899 172.1301 26 Y 4.8907 9.2334 120.4963 56.3042 42.7168 174.3229 27 A 5.1218 8.4336 122.0282 50.3374 22.1478 175.9671 28 H 4.1530 8.4399 115.0604 56.4149 29.3494 174.4427 29 G 4.1653 8.9519 113.0712 46.8088 0.0000 174.5636 30 T 3.7212 7.1682 113.9112 62.1260 68.8151 172.6206 31 K 4.8757 8.6168 124.4404 54.9680 34.7864 175.5098 32 L 4.7250 8.9492 125.3037 53.2818 44.3769 176.2838 33 S 5.1349 8.2499 116.5029 57.4389 66.1856 172.2062 34 Y 4.5842 8.5599 117.7575 56.8772 41.5224 175.6497 35 T 4.8249 8.8890 115.8292 62.6158 73.3466 172.9092 36 C 5.1466 8.6400 121.0565 54.4965 40.4373 173.3623 37 E 3.9752 8.1177 120.8334 56.5276 29.3996 177.9443 38 G 4.0807 8.1654 109.5965 43.7841 0.0000 171.6350 39 G 3.3422 7.8202 113.8475 45.1946 0.0000 170.8456 40 F 4.7537 7.8723 118.7835 55.2638 42.0563 174.8700 41 R 4.7782 8.3204 121.4418 54.6202 32.8052 174.8975 42 I 4.8781 8.1199 121.8816 59.1872 40.4450 175.1712 43 S 4.4783 8.4887 123.1221 58.0815 63.6740 173.5241 44 E 3.5758 8.9706 120.0530 57.1903 29.9941 178.4899 45 E 3.5658 8.6373 114.2233 57.5802 26.5173 175.2198 46 N 4.8566 8.1014 125.8696 51.3399 35.9706 173.3573 47 E 5.2500 7.9428 124.2484 55.8588 33.8644 173.8065 48 T 4.9271 9.2819 118.7700 60.7723 71.2872 172.7078 49 T 5.3965 8.7915 123.0039 61.9982 73.2269 172.9083 50 C 4.8596 8.4907 123.2682 54.8245 44.7314 172.2440 51 Y 4.7795 8.6419 125.8485 57.9486 41.6069 175.4979 52 M 2.6651 8.6423 120.8100 58.2978 28.1076 176.3363 53 G 4.3069 7.6495 111.1979 44.5938 0.0000 170.3827 54 K 4.6979 7.9602 118.7535 54.1957 36.3067 175.1504 55 W 5.1034 8.8364 124.0862 55.3617 31.8612 174.7758 56 S 4.7969 8.4251 115.2992 57.2286 63.8765 174.4058 57 S 4.0208 8.2707 123.4531 57.5454 60.4003 172.3294 58 P 4.3848 0.0000 0.0000 61.5127 31.7805 174.9219 59 P 4.5353 0.0000 0.0000 62.9331 32.6988 174.4300 60 Q 4.5881 8.3532 119.3875 54.5051 33.1401 173.8877 61 C 5.3712 8.7001 119.6120 55.2462 42.1294 174.0484 62 E 4.2794 9.1885 122.9614 56.5311 29.6036 175.7738 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 E 8.44 4.26 0.00 2.04 2.05 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 0.00 2.12 2.25 0.00 2 K 8.23 3.92 0.00 1.26 1.40 0.00 1.48 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.41 7.81 3 I 7.52 4.63 1.81 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.55 0.84 0.00 0.00 4 P 0.00 4.61 0.00 2.20 2.24 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 5 C 8.94 5.22 0.00 3.14 2.65 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 6 S 8.38 5.00 0.00 3.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.12 3.97 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.90 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 8 P 0.00 3.24 0.00 1.44 0.60 0.00 3.65 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.39 0.00 9 P 0.00 4.51 0.00 2.21 2.17 0.00 3.10 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 10 Q 8.31 4.66 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 11 I 7.50 4.17 1.69 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.75 0.73 0.00 0.00 12 E 7.97 3.51 0.00 2.04 1.97 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 2.25 2.35 0.00 13 H 9.14 4.52 0.00 3.12 3.03 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.58 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 0.00 0.00 0.00 0.00 15 T 8.33 5.20 4.22 0.00 0.00 0.00 0.00 0.00 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 16 I 8.16 3.39 1.33 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.21 0.70 0.00 0.00 17 N 7.37 4.99 0.00 2.80 2.72 0.00 0.00 6.60 7.41 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 18 S 8.87 4.29 0.00 3.72 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 19 S 9.32 4.14 0.00 4.11 4.11 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 20 R 6.86 3.06 0.00 1.88 1.95 0.00 3.13 0.00 0.00 3.14 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 21 S 7.65 4.51 0.00 3.77 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.70 4.47 0.00 3.83 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 23 Q 7.65 4.68 0.00 1.51 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.49 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 24 E 8.47 4.44 0.00 1.95 1.93 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 2.27 2.20 0.00 25 S 7.58 5.19 0.00 3.86 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 26 Y 9.23 4.89 0.00 3.19 3.02 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 0.00 0.00 0.00 27 A 8.43 5.12 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 28 H 8.44 4.15 0.00 3.20 3.38 0.00 5.51 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.95 4.17 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 0.00 0.00 0.00 30 T 7.17 3.72 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 1.46 0.00 0.00 31 K 8.62 4.88 0.00 1.61 1.77 0.00 1.69 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.66 7.81 32 L 8.95 4.73 0.00 1.30 1.27 0.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.25 5.13 0.00 3.73 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 34 Y 8.56 4.58 0.00 2.84 2.77 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 35 T 8.89 4.82 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00 36 C 8.64 5.15 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.98 0.00 1.42 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.53 0.00 38 G 8.17 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 0.00 0.00 0.00 39 G 7.82 3.34 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 0.00 0.00 0.00 0.00 40 F 7.87 4.75 0.00 2.87 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.32 4.78 0.00 1.71 1.81 0.00 3.27 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.52 0.00 42 I 8.12 4.88 1.91 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 1.36 0.77 0.94 0.00 0.00 43 S 8.49 4.48 0.00 3.82 3.79 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 44 E 8.97 3.58 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 45 E 8.64 3.57 0.00 2.05 2.11 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 2.26 2.30 0.00 46 N 8.10 4.86 0.00 3.05 3.03 0.00 0.00 5.58 7.69 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 47 E 7.94 5.25 0.00 1.99 1.85 0.00 0.00 0.00 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 2.45 0.00 48 T 9.28 4.93 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 49 T 8.79 5.40 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 1.32 0.00 0.00 50 C 8.49 4.86 0.00 1.23 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 0.00 0.00 0.00 0.00 51 Y 8.64 4.78 0.00 2.92 2.68 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 52 M 8.64 2.67 0.00 1.71 1.40 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.47 0.00 53 G 7.65 4.31 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 0.00 54 K 7.96 4.70 0.00 1.75 1.72 0.00 1.67 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.47 7.81 55 W 8.84 5.10 0.00 3.21 3.23 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 0.00 56 S 8.43 4.80 0.00 3.97 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 57 S 8.27 4.02 0.00 3.94 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 58 P 0.00 4.38 0.00 1.70 2.06 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 59 P 0.00 4.54 0.00 2.03 2.09 0.00 3.44 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.98 0.00 60 Q 8.35 4.59 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 61 C 8.70 5.37 0.00 2.97 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 9.19 4.28 0.00 1.86 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00