NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4150 8.3044 120.3258 54.2417 32.5485 173.8177 2 S 4.3318 7.2213 114.9466 55.0022 66.0561 173.5584 3 L 4.3806 8.4510 119.1896 58.2338 41.7563 178.2327 4 G 3.6569 7.9914 106.3543 47.6706 0.0000 175.8417 5 V 3.6733 7.6805 120.1142 64.0897 31.6284 177.6710 6 L 4.0118 7.3150 120.9468 58.1348 41.9993 178.8775 7 A 3.9416 8.0289 120.2267 55.1495 18.3157 179.4646 8 A 4.1360 7.8741 118.6772 55.1131 18.4365 179.7084 9 A 4.0535 8.1456 119.5620 54.9656 18.2952 180.0601 10 I 4.0372 7.6376 117.8725 64.6873 37.6844 178.2431 11 A 3.9372 8.5469 121.6547 54.6981 18.0220 179.9930 12 V 3.6266 7.7275 117.0756 66.2103 31.8643 178.3990 13 G 3.8330 8.0877 105.4214 47.8894 0.0000 175.2875 14 L 3.9778 8.3051 122.8658 57.5172 41.9601 179.3585 15 G 3.5133 7.8456 105.2770 47.6879 0.0000 175.5529 16 A 4.1838 8.6774 123.0489 53.7473 18.2348 179.3789 17 L 3.9989 7.7071 119.4080 58.2917 41.8164 179.2718 18 G 3.5584 8.0913 105.1818 47.6054 0.0000 175.5588 19 A 4.1300 8.5290 123.8192 54.6203 18.3120 179.7850 20 G 3.6187 8.1156 104.4412 48.1666 0.0000 175.5252 21 I 3.7952 7.6156 121.6949 63.7614 37.7543 178.1197 22 G 3.6136 7.7577 105.8902 47.5814 0.0000 175.3624 23 N 4.4268 8.5128 119.8139 56.2908 38.8904 177.2087 24 G 3.6862 8.5400 107.6396 47.2994 0.0000 175.8662 25 L 4.4912 7.8819 122.5939 56.9184 41.6357 179.5478 26 I 3.7305 8.0767 120.4592 64.3137 37.0075 178.8789 27 V 3.6746 7.6886 119.8757 64.8329 31.3890 178.5963 28 S 4.1314 8.3642 115.0922 60.8793 62.8031 176.5646 29 R 3.8549 8.0495 122.6467 59.6581 29.9145 178.4139 30 T 3.9657 7.8010 112.4552 64.7408 67.0715 176.3201 31 I 3.7055 7.8340 120.8504 63.9963 37.9442 177.5275 32 E 4.2258 8.7070 118.9424 59.1057 29.5367 179.3322 33 G 3.6160 7.8995 106.9102 47.6081 0.0000 175.7969 34 I 3.8165 7.7651 114.7788 63.5744 37.4140 178.1498 35 A 4.6762 7.3834 122.3269 54.1176 18.2183 179.1812 36 R 4.0005 7.5493 115.9397 58.5537 30.5934 177.3118 37 Q 4.2676 7.3894 116.9268 54.9916 29.6744 175.7572 38 P 4.2709 0.0000 0.0000 65.9927 31.6422 178.2712 39 E 4.1312 8.1496 117.6058 57.4071 30.0284 176.5692 40 L 4.7657 7.1697 118.2244 54.7774 42.4391 178.8191 41 R 3.9215 7.9001 121.5527 58.9514 30.0664 175.7368 42 P 4.3491 0.0000 0.0000 65.0698 31.5047 178.3730 43 V 3.6257 7.6756 118.1557 65.5583 31.2681 177.1894 44 L 4.0118 7.5662 121.7130 57.6422 41.9373 178.8148 45 Q 4.0056 7.9593 118.7223 59.4773 28.9892 178.2035 46 T 3.9963 7.7771 114.0327 65.0679 67.1710 176.2829 47 T 4.0476 8.3061 112.3526 64.7660 68.8628 176.8296 48 M 4.1502 8.4617 122.1175 58.2373 31.9688 178.4491 49 F 3.9201 8.2630 120.4054 60.9953 39.6483 177.1942 50 I 3.9090 8.0597 118.5594 63.6544 37.4954 178.2623 51 G 3.5323 7.8606 106.1094 47.7329 0.0000 175.5626 52 V 3.6633 7.5205 120.7953 65.5863 31.4336 177.8125 53 A 3.9850 8.1551 120.7269 55.1607 18.1457 179.5716 54 L 4.0095 7.8211 118.0271 58.8642 40.5575 179.6843 55 V 3.6958 7.9734 119.2203 65.3727 31.3325 177.0708 56 E 4.2104 7.9188 116.4787 57.4280 29.2862 177.8894 57 A 4.3010 7.8383 121.4781 53.3446 19.0636 179.4107 58 L 3.8876 7.7285 119.8548 57.8211 42.3047 177.3036 59 P 4.3436 0.0000 0.0000 65.7076 31.5276 178.1252 60 I 3.6864 7.5630 119.5078 64.4164 37.0558 178.4063 61 I 3.8542 7.9766 120.5689 64.4235 36.8717 178.6033 62 G 3.9259 8.2997 106.5667 48.1615 0.0000 175.8075 63 V 3.7841 8.0214 120.2610 65.5640 31.4465 178.2237 64 V 3.5459 7.6347 117.7024 66.0047 31.2816 177.4440 65 F 4.2831 8.5273 120.6112 61.6380 39.0193 177.2841 66 S 3.1268 7.4908 113.2079 61.2697 62.5666 176.4590 67 F 3.8169 8.6238 121.8314 59.9692 38.4553 177.4810 68 I 3.7373 8.0230 119.8087 64.6666 36.7671 177.3420 69 Y 3.9410 7.3750 118.8502 61.0073 38.6429 178.0164 70 L 4.1296 7.4484 119.3876 56.6105 41.9613 177.5015 71 G 4.0716 8.8208 107.8635 45.0202 0.0000 173.7185 72 R 4.3543 8.2660 125.7230 56.5822 31.6077 175.7868 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 4.41 0.00 2.02 2.11 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 2.50 2.54 0.00 2 S 7.22 4.33 0.00 3.86 3.67 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.45 4.38 0.00 1.85 1.85 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.99 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 0.00 0.00 0.00 5 V 7.68 3.67 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 6 L 7.32 4.01 0.00 1.87 1.84 0.71 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.03 3.94 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 8 A 7.87 4.14 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.15 4.05 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 0.00 0.00 10 I 7.64 4.04 2.12 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 2.13 1.06 1.16 0.00 0.00 11 A 8.55 3.94 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 12 V 7.73 3.63 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.95 0.00 0.00 13 G 8.09 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 0.00 0.00 0.00 14 L 8.31 3.98 0.00 1.22 1.59 0.77 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.85 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.68 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.71 4.00 0.00 1.85 1.78 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.09 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.53 4.13 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 0.00 0.00 20 G 8.12 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 3.80 2.01 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 1.45 1.19 0.97 0.00 0.00 22 G 7.76 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 23 N 8.51 4.43 0.00 3.02 2.82 0.00 0.00 7.07 8.82 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 24 G 8.54 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 0.00 0.00 0.00 25 L 7.88 4.49 0.00 1.87 1.72 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 26 I 8.08 3.73 1.94 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 1.72 1.39 0.91 0.00 0.00 27 V 7.69 3.67 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.94 0.00 0.00 28 S 8.36 4.13 0.00 4.08 4.33 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 29 R 8.05 3.85 0.00 2.09 2.07 0.00 3.25 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 30 T 7.80 3.97 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 1.22 0.00 0.00 31 I 7.83 3.71 2.11 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.21 0.99 0.00 0.00 32 E 8.71 4.23 0.00 2.22 2.26 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 2.51 2.36 0.00 33 G 7.90 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.82 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 1.44 0.63 0.95 0.00 0.00 35 A 7.38 4.68 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 36 R 7.55 4.00 0.00 1.99 2.03 0.00 3.22 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 37 Q 7.39 4.27 0.00 2.36 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 38 P 0.00 4.27 0.00 2.22 2.30 0.00 3.69 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 2.07 1.95 0.00 39 E 8.15 4.13 0.00 1.95 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 0.00 2.29 2.33 0.00 40 L 7.17 4.77 0.00 1.91 1.60 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.90 3.92 0.00 2.01 1.92 0.00 3.26 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 42 P 0.00 4.35 0.00 2.30 2.29 0.00 3.64 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 2.07 2.01 0.00 43 V 7.68 3.63 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 1.10 0.00 0.00 0.91 0.00 0.00 44 L 7.57 4.01 0.00 1.94 1.68 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.96 4.01 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 46 T 7.78 4.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 47 T 8.31 4.05 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 1.33 0.00 0.00 48 M 8.46 4.15 0.00 2.11 2.44 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.55 0.00 49 F 8.26 3.92 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.06 3.91 2.18 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.10 1.02 0.00 0.00 51 G 7.86 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 52 V 7.52 3.66 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 0.89 0.00 0.00 0.82 0.00 0.00 53 A 8.16 3.98 1.47 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 0.00 0.00 0.00 54 L 7.82 4.01 0.00 1.98 2.20 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 55 V 7.97 3.70 2.25 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 0.96 0.00 0.00 0.99 0.00 0.00 56 E 7.92 4.21 0.00 2.20 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 2.32 2.30 0.00 57 A 7.84 4.30 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.73 3.89 0.00 1.97 1.68 0.92 0.90 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 59 P 0.00 4.34 0.00 2.33 2.30 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 60 I 7.56 3.69 2.00 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 1.52 1.02 0.90 0.00 0.00 61 I 7.98 3.85 1.98 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 1.50 0.86 1.05 0.00 0.00 62 G 8.30 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 0.00 0.00 0.00 63 V 8.02 3.78 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.08 0.00 0.00 64 V 7.63 3.55 2.35 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 1.02 0.00 0.00 0.93 0.00 0.00 65 F 8.53 4.28 0.00 3.06 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 66 S 7.49 3.13 0.00 3.70 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 67 F 8.62 3.82 0.00 3.28 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 68 I 8.02 3.74 2.20 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.83 1.00 0.00 0.00 69 Y 7.37 3.94 0.00 2.81 2.90 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 0.00 0.00 0.00 70 L 7.45 4.13 0.00 1.47 1.64 0.72 1.03 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 71 G 8.82 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 72 R 8.27 4.35 0.00 1.97 1.96 0.00 3.41 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00