NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5151 8.3049 120.3318 55.0498 33.4488 174.8500 2 K 4.2181 8.4626 121.2895 55.0784 33.5431 175.5285 3 K 4.6069 9.0922 122.2371 56.8300 34.6524 175.2180 4 Y 4.9140 8.9769 119.2393 56.5471 42.3603 174.5363 5 T 5.1351 8.5150 119.0880 61.5520 72.1573 172.9062 6 C 3.2106 8.8648 127.3057 59.1884 32.1103 173.8568 7 T 4.1651 8.0877 115.9442 62.3225 68.7283 175.5015 8 V 3.9754 7.5369 122.4345 64.4324 32.2038 176.0529 9 C 4.6796 8.0955 110.6438 57.0777 31.0689 174.7480 10 G 3.9324 9.0592 108.9936 44.5124 0.0000 172.8505 11 Y 4.2273 7.7424 120.3530 58.0755 39.9801 175.1493 12 I 4.6491 7.5076 126.1795 59.4670 39.4010 174.5874 13 Y 4.2451 9.3452 130.6005 57.3376 39.9854 173.6222 14 N 4.4966 7.9541 125.5790 51.2170 40.8658 172.9231 15 P 4.1085 0.0000 0.0000 65.7949 31.5896 178.6452 16 E 4.0401 7.8034 115.8472 58.6288 29.5260 177.6467 17 D 4.5490 7.9384 117.0417 53.4987 42.6543 177.9121 18 G 3.9794 7.8796 107.3141 45.0350 0.0000 172.3047 19 D 5.0182 8.6922 112.5737 51.6943 41.5139 175.2837 20 P 4.3651 0.0000 0.0000 66.3002 31.6508 179.0171 21 D 4.4387 8.2349 117.0865 56.4544 40.8987 176.5885 22 N 4.8203 8.4674 114.8846 52.9498 38.6791 175.6436 23 G 3.8149 8.4196 106.2635 45.2397 0.0000 174.2206 24 V 4.0043 7.4023 120.0166 60.8147 31.3698 175.0124 25 N 4.8434 8.2867 124.9180 51.9249 39.2843 173.3146 26 P 4.2874 0.0000 0.0000 64.6323 31.7672 177.1140 27 G 3.9343 8.7898 109.9815 45.4573 0.0000 173.3420 28 T 4.3197 7.0740 116.5363 61.7866 69.5688 174.4185 29 D 4.5108 8.5391 126.3615 53.9563 42.2768 176.4089 30 F 3.5422 9.1019 127.9608 61.3160 38.8807 177.6207 31 K 3.8467 7.8636 116.5974 59.4454 32.4926 177.8060 32 D 4.4904 7.4172 117.6074 53.5198 41.4756 176.8572 33 I 3.3767 6.4371 121.5062 60.2009 37.8043 174.0199 34 P 4.0457 0.0000 0.0000 63.4088 31.5950 176.3015 35 D 4.5973 8.6445 120.6244 54.9609 40.5742 176.4357 36 D 4.7900 7.7621 117.3357 52.5207 40.1229 176.3073 37 W 4.2265 7.8943 130.4512 57.5055 31.2413 175.4470 38 V 4.1574 6.8424 117.6795 59.2455 34.0247 174.7392 39 C 3.0330 8.0838 122.8137 57.8628 31.6408 173.0239 40 P 4.0351 0.0000 0.0000 65.7788 31.1623 177.8042 41 L 4.0968 7.6042 117.9031 57.0144 41.7401 177.4187 42 C 4.4819 8.0680 109.7860 57.4237 31.2367 174.7770 43 G 3.7494 8.0582 108.1407 45.2646 0.0000 173.7818 44 V 3.9122 7.3835 113.4857 60.5362 32.8135 175.3706 45 G 4.2836 8.1921 109.8872 43.7685 0.0000 174.7927 46 K 4.1805 8.8777 118.6469 59.7029 32.0127 179.1420 47 D 4.7799 8.3378 116.4404 55.8776 39.5198 176.8680 48 Q 4.4588 8.6632 118.3259 56.0169 29.1106 174.7521 49 F 5.0829 8.8502 117.9169 56.4010 40.7174 175.2006 50 E 4.8347 8.8750 121.1907 54.0254 33.0520 175.0163 51 E 2.8010 8.8144 124.3158 56.7344 30.2868 176.4283 52 V 3.9864 7.6913 126.7570 61.5770 32.1934 175.6351 53 E 4.1911 8.4931 126.7560 56.4465 29.5886 176.2701 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 4.52 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 2 K 8.46 4.22 0.00 1.96 1.63 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 3 K 9.09 4.61 0.00 1.67 1.71 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.44 7.81 4 Y 8.98 4.91 0.00 2.56 2.47 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 5 T 8.52 5.14 4.20 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 1.29 0.00 0.00 6 C 8.86 3.21 0.00 2.20 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 7 T 8.09 4.17 4.20 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 1.25 0.00 0.00 8 V 7.54 3.98 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 0.82 0.00 0.00 0.90 0.00 0.00 9 C 8.10 4.68 0.00 3.07 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 10 G 9.06 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 11 Y 7.74 4.23 0.00 3.18 3.01 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 0.00 0.00 0.00 12 I 7.51 4.65 1.69 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.97 0.82 0.00 0.00 13 Y 9.35 4.25 0.00 3.52 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 14 N 7.95 4.50 0.00 2.61 2.44 0.00 0.00 7.17 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 15 P 0.00 4.11 0.00 2.19 2.27 0.00 3.56 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.31 0.00 16 E 7.80 4.04 0.00 1.98 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 0.00 2.32 2.26 0.00 17 D 7.94 4.55 0.00 2.66 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 18 G 7.88 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 19 D 8.69 5.02 0.00 3.12 2.74 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 20 P 0.00 4.37 0.00 2.29 2.36 0.00 3.92 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 21 D 8.23 4.44 0.00 2.76 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 22 N 8.47 4.82 0.00 3.13 2.99 0.00 0.00 7.20 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 23 G 8.42 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 0.00 0.00 0.00 24 V 7.40 4.00 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 0.96 0.00 0.00 0.49 0.00 0.00 25 N 8.29 4.84 0.00 2.79 2.72 0.00 0.00 7.03 8.03 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 26 P 0.00 4.29 0.00 2.03 2.18 0.00 3.67 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.24 0.00 27 G 8.79 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 28 T 7.07 4.32 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 1.07 0.00 0.00 29 D 8.54 4.51 0.00 2.75 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.10 3.54 0.00 2.52 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 0.00 0.00 0.00 0.00 31 K 7.86 3.85 0.00 1.88 1.92 0.00 1.44 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.53 7.81 32 D 7.42 4.49 0.00 2.69 2.64 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 0.00 33 I 6.44 3.38 0.96 0.00 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.02 -0.11 0.00 0.00 34 P 0.00 4.05 0.00 2.17 2.01 0.00 3.34 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 2.05 2.07 0.00 35 D 8.64 4.60 0.00 2.62 2.66 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 36 D 7.76 4.79 0.00 2.76 2.74 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 37 W 7.89 4.23 0.00 3.17 3.06 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 38 V 6.84 4.16 1.95 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 0.70 0.00 0.00 0.67 0.00 0.00 39 C 8.08 3.03 0.00 3.23 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 40 P 0.00 4.04 0.00 2.05 2.06 0.00 2.88 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.69 0.00 41 L 7.60 4.10 0.00 1.66 1.77 1.12 0.88 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 42 C 8.07 4.48 0.00 3.01 2.99 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 0.00 0.00 0.00 0.00 43 G 8.06 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.38 3.91 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 0.80 0.00 0.00 0.96 0.00 0.00 45 G 8.19 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 0.00 0.00 0.00 0.00 46 K 8.88 4.18 0.00 1.87 2.00 0.00 1.51 0.00 0.00 1.72 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.51 7.81 47 D 8.34 4.78 0.00 2.87 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 48 Q 8.66 4.46 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.88 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 49 F 8.85 5.08 0.00 3.25 2.93 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 50 E 8.88 4.83 0.00 1.87 1.77 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 2.27 2.24 0.00 51 E 8.81 2.80 0.00 1.58 1.67 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 2.16 1.89 0.00 52 V 7.69 3.99 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 0.84 0.00 0.00 53 E 8.49 4.19 0.00 1.92 1.79 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 2.20 2.28 0.00