NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2762 8.3049 120.3581 55.2640 33.5161 171.9657 2 I 3.0446 7.8564 127.2151 59.3192 36.2546 168.8021 3 V 2.7909 8.1929 125.3752 62.5788 32.5663 173.8853 4 P 4.3711 0.0000 0.0000 61.7848 31.9683 176.3613 5 V 3.4644 8.2112 121.8694 63.9446 31.8363 177.5469 6 R 4.5135 8.5354 126.5665 55.0897 28.8580 174.3493 7 C 4.2561 7.8667 116.1852 57.7316 33.9798 174.3966 8 F 4.3269 7.9034 126.5899 60.9744 38.0247 176.6779 9 S 4.2346 7.3426 114.4864 60.5135 62.9447 174.5204 10 C 4.1820 7.3008 119.4251 53.2528 42.1878 173.0523 11 G 3.1076 7.4937 117.5645 43.9599 0.0000 173.6371 12 K 3.7346 7.9873 122.5046 56.5341 32.5070 175.9348 13 V 3.9199 8.3692 118.3446 62.1575 32.0253 176.3280 14 V 4.2929 8.4322 116.5510 61.5724 33.9756 177.8901 15 G 3.8211 8.3214 109.0498 48.7090 0.0000 174.6291 16 D 4.3715 8.0610 116.5727 54.4097 40.0148 177.1860 17 K 4.4870 8.1039 119.1077 56.3416 32.7830 177.8889 18 W 4.3880 7.8200 129.7228 60.4514 30.1331 177.3622 19 E 3.9117 8.3910 118.0554 59.9092 28.9584 179.6179 20 S 4.2331 8.0642 113.9972 61.8101 62.8716 174.9279 21 Y 4.1724 7.9682 123.0561 59.8251 38.3188 177.6359 22 L 3.5274 7.4725 119.0882 58.1702 42.2205 179.6790 23 N 4.2592 7.6082 114.8230 56.3493 38.2248 177.5351 24 L 4.1151 7.7851 119.6197 57.6610 41.6553 179.1947 25 L 3.9526 8.1810 119.4611 56.7190 41.2144 178.4957 26 Q 4.0671 7.6755 117.8938 57.2089 31.0536 176.2822 27 E 4.0309 8.1518 117.6667 58.6644 29.6395 176.9766 28 D 4.6409 7.7161 113.4207 51.8993 40.0645 172.7077 29 E 3.6903 8.3423 124.4585 56.5895 26.6309 173.1432 30 L 4.7234 7.7908 121.9708 52.2380 46.1650 176.2004 31 D 4.8082 8.2009 119.1886 52.3671 42.3428 177.0992 32 E 4.1055 8.7549 120.6415 59.6615 29.1686 179.6908 33 G 3.8261 8.2220 105.1471 48.5599 0.0000 175.6587 34 T 3.7994 7.7898 117.5176 65.7066 68.4862 176.8105 35 A 3.9827 7.9749 123.1163 55.3721 18.4825 179.6736 36 L 4.0650 8.0352 116.6048 57.9440 41.7298 180.0324 37 S 4.1322 7.7136 114.9629 61.6429 62.6215 176.6700 38 R 4.0154 7.8425 120.0641 59.0100 29.9125 178.0460 39 L 4.2126 7.7255 117.4796 55.9377 41.7281 177.9490 40 G 3.9083 7.8844 106.8355 44.8397 0.0000 173.7423 41 L 4.2225 7.8226 120.3408 54.2587 40.9319 176.2448 42 K 4.3634 8.4964 123.7218 57.7974 34.4050 177.9312 43 R 4.1766 7.7044 117.7494 55.5402 30.9751 176.9816 44 Y 4.4578 8.4466 122.4961 59.6910 37.9744 177.5151 45 C 3.8320 7.2219 115.6076 61.4676 29.4505 175.8447 46 C 4.5126 7.7178 117.0153 58.0968 40.0882 175.9859 47 R 3.8165 8.3061 120.5419 59.1987 29.5775 179.0452 48 R 4.1166 8.0880 115.6841 58.8551 29.4420 177.7742 49 M 4.1711 7.5438 117.0460 56.5453 32.4171 176.2301 50 I 4.1858 7.2027 117.0888 63.5949 39.1353 177.1053 51 L 4.0815 7.2821 118.7209 58.3951 41.9711 178.0826 52 T 4.2442 7.5372 112.3628 64.7252 68.9108 174.6301 53 H 4.3725 7.7762 122.0174 55.5441 30.4440 174.3425 54 V 4.2338 7.7274 124.8574 61.1264 33.7806 175.6556 55 D 4.5532 8.2115 127.6029 52.7751 39.8375 176.2778 56 L 4.0912 8.0930 123.9898 56.8205 42.7478 179.1063 57 I 4.0398 8.3179 118.4176 64.4302 37.1724 177.0169 58 E 4.0161 8.0168 119.3833 59.7123 29.2470 179.4007 59 K 4.0423 7.8972 114.9082 57.7843 32.3799 178.7936 60 F 4.4783 8.0140 118.2584 60.1907 38.7700 177.2663 61 L 4.3334 8.4362 118.3026 57.1148 41.5702 178.6535 62 R 4.0406 7.4942 117.0200 57.0711 30.3189 175.6582 63 Y 4.3245 7.2294 115.2932 57.4328 39.0634 174.7845 64 N 4.4489 9.1194 124.0754 56.1580 39.2830 172.7173 65 P 4.4703 0.0000 0.0000 63.0147 31.3378 175.8086 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 4.28 0.00 1.99 2.16 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 2.42 2.60 0.00 2 I 7.86 3.04 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.64 0.85 0.00 0.00 3 V 8.19 2.79 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 0.50 0.00 0.00 -0.17 0.00 0.00 4 P 0.00 4.37 0.00 2.09 1.95 0.00 3.46 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.95 0.00 5 V 8.21 3.46 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 0.79 0.00 0.00 0.92 0.00 0.00 6 R 8.54 4.51 0.00 1.98 2.01 0.00 3.25 0.00 0.00 3.81 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.54 0.00 7 C 7.87 4.26 0.00 2.65 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.90 4.33 0.00 3.09 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 9 S 7.34 4.23 0.00 3.91 3.85 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 0.00 0.00 0.00 10 C 7.30 4.18 0.00 3.05 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 11 G 7.49 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 0.00 0.00 0.00 12 K 7.99 3.73 0.00 1.76 1.68 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.10 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.48 7.81 13 V 8.37 3.92 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 0.75 0.00 0.00 0.92 0.00 0.00 14 V 8.43 4.29 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.89 0.00 0.00 15 G 8.32 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 0.00 0.00 0.00 16 D 8.06 4.37 0.00 2.82 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 17 K 8.10 4.49 0.00 1.99 1.90 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.40 1.43 7.81 18 W 7.82 4.39 0.00 3.15 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 19 E 8.39 3.91 0.00 2.06 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 2.52 2.42 0.00 20 S 8.06 4.23 0.00 3.90 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 21 Y 7.97 4.17 0.00 3.18 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 22 L 7.47 3.53 0.00 1.39 1.52 -0.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.61 4.26 0.00 2.87 2.81 0.00 0.00 7.10 6.62 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 24 L 7.79 4.12 0.00 1.72 1.66 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.18 3.95 0.00 1.30 1.42 0.29 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.68 4.07 0.00 1.86 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.96 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 27 E 8.15 4.03 0.00 1.92 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 0.00 2.29 2.21 0.00 28 D 7.72 4.64 0.00 2.73 2.67 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 29 E 8.34 3.69 0.00 2.11 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 2.17 2.42 0.00 30 L 7.79 4.72 0.00 1.51 1.50 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.20 4.81 0.00 2.86 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 32 E 8.75 4.11 0.00 2.13 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 0.00 2.53 2.51 0.00 33 G 8.22 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 34 T 7.79 3.80 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 35 A 7.97 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 36 L 8.04 4.07 0.00 1.73 1.78 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.71 4.13 0.00 4.03 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 38 R 7.84 4.02 0.00 1.84 1.98 0.00 3.26 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 39 L 7.73 4.21 0.00 1.93 1.75 1.13 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.88 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 0.00 0.00 0.00 41 L 7.82 4.22 0.00 1.75 1.66 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.50 4.36 0.00 1.86 1.93 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.39 7.81 43 R 7.70 4.18 0.00 1.85 2.01 0.00 2.89 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 44 Y 8.45 4.46 0.00 3.28 3.26 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 45 C 7.22 3.83 0.00 2.99 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.72 4.51 0.00 2.99 3.07 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 47 R 8.31 3.82 0.00 2.01 2.04 0.00 3.23 0.00 0.00 3.30 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.81 0.00 48 R 8.09 4.12 0.00 2.13 2.31 0.00 2.80 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 49 M 7.54 4.17 0.00 1.77 1.90 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.15 0.00 50 I 7.20 4.19 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.76 0.16 0.00 0.00 51 L 7.28 4.08 0.00 1.68 1.75 1.04 1.07 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 52 T 7.54 4.24 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 1.24 0.00 0.00 53 H 7.78 4.37 0.00 3.07 3.13 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.73 4.23 2.02 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 0.87 0.00 0.00 0.93 0.00 0.00 55 D 8.21 4.55 0.00 2.90 2.69 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 56 L 8.09 4.09 0.00 2.05 1.86 1.02 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.32 4.04 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.19 1.00 0.00 0.00 58 E 8.02 4.02 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 59 K 7.90 4.04 0.00 1.62 1.79 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 60 F 8.01 4.48 0.00 3.26 3.08 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 61 L 8.44 4.33 0.00 1.84 1.82 1.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.49 4.04 0.00 1.58 1.73 0.00 3.27 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 63 Y 7.23 4.32 0.00 3.24 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 N 9.12 4.45 0.00 2.68 2.91 0.00 0.00 7.13 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 65 P 0.00 4.47 0.00 2.25 2.07 0.00 3.93 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00