NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2710 0.0000 0.0000 62.8483 33.2779 177.6489 17 S 3.5623 8.0872 110.9211 58.9072 60.5192 169.4846 18 R 4.7313 8.6464 114.4984 55.1887 31.4678 176.2700 19 K 4.1544 8.0801 118.7165 56.6954 33.3998 178.1647 20 A 4.8253 7.2199 125.6805 51.7253 21.0580 175.9258 21 K 4.2987 7.9444 123.0005 55.8086 32.7311 178.2257 22 V 3.4153 8.2442 124.7437 65.9020 31.6190 177.3707 23 K 4.2662 7.7320 118.8192 59.5195 32.3443 177.6147 24 A 4.1508 8.1799 119.9351 55.7568 18.8609 178.8099 25 T 4.2096 7.6742 111.9661 61.2090 66.6005 172.6800 26 L 4.3733 6.9119 123.5119 55.2720 45.2971 172.4168 27 G 4.1261 8.3940 109.8037 44.4103 0.0000 173.3703 28 E 4.1708 8.7144 121.6879 55.3445 28.6363 175.6156 29 F 4.9243 7.5086 118.2779 54.7213 40.7406 175.7992 30 D 4.5743 8.4090 121.6435 52.5868 39.6910 176.6335 31 L 4.3571 8.3728 126.4024 57.0342 41.9217 178.7164 32 R 4.0638 7.8286 117.0201 57.5615 30.3483 175.5776 33 D 4.1768 8.3367 118.0770 54.5020 40.7044 174.5465 34 Y 4.6923 7.6998 124.7184 57.0401 38.1222 176.1301 35 R 4.5894 7.6535 117.1667 56.3296 32.6273 175.8640 36 N 4.6620 7.7877 118.4663 52.0171 37.6300 175.3362 37 V 3.5696 7.7388 121.4924 66.4008 31.6258 176.4620 38 E 3.9271 8.1719 117.0918 59.4408 29.6675 179.2570 39 V 3.7403 7.5759 117.9721 64.5407 32.0710 177.7146 40 L 4.0072 8.0540 120.7121 57.6212 41.0776 179.4740 41 K 4.0440 7.9854 118.6925 59.7273 31.6664 178.6521 42 R 3.8866 8.1443 117.8035 58.5739 30.0394 177.1623 43 F 4.5722 8.5366 116.6526 57.1650 39.0364 174.7437 44 L 5.0687 7.1912 120.4693 52.6436 43.4796 177.3287 45 S 4.3966 9.1455 118.2592 58.2893 63.6186 175.0191 46 E 4.1730 8.6147 118.2544 57.5318 28.8667 176.2452 47 T 4.7360 7.9422 116.2340 61.6246 72.7076 174.8855 48 G 3.8613 8.7258 110.0470 47.0540 0.0000 174.1778 49 K 4.1559 7.7674 120.4596 56.5435 33.2854 176.2747 50 I 4.5673 8.2222 125.0173 60.8327 37.7837 176.0368 51 L 4.3051 8.6517 127.3674 54.0181 42.4039 175.5586 52 P 4.5728 0.0000 0.0000 62.0516 32.3463 177.9173 53 R 4.0880 8.5499 118.7395 59.4637 29.5880 179.2824 54 R 3.9224 8.0817 116.9233 59.0672 30.3416 177.9739 55 R 4.4755 7.8309 115.9072 57.1138 31.6882 177.8647 56 T 4.3522 8.4341 109.0994 61.6850 68.9549 175.7969 57 G 3.9312 8.0016 108.7625 46.2310 0.0000 173.5065 58 L 4.5365 7.7293 119.6561 53.9430 42.9819 176.3300 59 S 4.8623 8.6147 115.1516 56.4357 66.1650 175.1865 60 G 3.7918 8.5961 108.4216 48.0551 0.0000 175.3846 61 K 4.0890 7.9226 121.6733 59.1338 32.3338 178.2358 62 E 3.8781 7.9517 118.5049 59.8040 29.1036 179.1677 63 Q 3.8801 8.7592 119.5224 59.3774 27.4488 178.6559 64 R 3.9713 7.7891 119.0546 58.8761 30.0905 178.2627 65 I 4.1374 7.8969 119.9815 63.4371 37.1308 177.8106 66 L 3.7540 7.8543 120.7014 58.0644 41.8702 178.3319 67 A 3.9801 7.4917 120.1981 55.5278 18.1917 179.7385 68 K 3.8685 7.4658 114.6152 59.8387 32.0022 179.8194 69 T 3.9117 7.6466 115.4118 66.9006 68.2585 176.9676 70 I 3.6567 8.1898 120.5639 64.0831 37.2970 178.4563 71 K 3.9742 8.1592 119.7658 59.2163 32.1026 179.4346 72 R 3.7827 8.2780 118.5307 59.3500 30.0334 179.0471 73 A 4.0964 8.3051 120.4793 54.8789 18.2729 180.0643 74 R 4.4863 7.5468 118.2825 58.8898 29.8259 178.9715 75 I 3.8810 7.6429 117.7305 64.6448 37.3415 178.1614 76 L 4.1282 7.4545 117.2142 56.2436 41.5086 178.4926 77 G 4.0703 8.0247 106.8176 45.1424 0.0000 174.5809 78 L 4.1672 7.8022 119.3995 56.6487 42.2383 177.2047 79 L 4.7737 7.7820 117.8269 51.8578 44.0981 174.5016 80 P 4.8536 0.0000 0.0000 62.8016 32.3159 175.9246 81 F 4.3250 8.6189 116.6392 59.2246 40.1367 176.6835 82 T 4.5241 7.4577 110.4741 61.2191 69.8339 171.8469 83 E 4.8377 8.5917 126.5834 54.1602 32.8940 175.9629 84 K 4.2311 8.3401 119.9858 56.0764 32.9827 176.4660 85 L 4.4124 8.2441 123.6567 53.8386 43.1515 175.8416 86 V 4.4125 8.0853 125.0744 61.6956 34.6763 171.9083 87 R 4.3208 9.7444 122.8945 54.1759 26.0466 175.0238 88 K 4.1544 9.2087 129.5959 57.7899 33.1223 174.0605 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 16 P 0.00 4.27 0.00 2.19 2.25 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 17 S 8.09 3.56 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.65 4.73 0.00 1.79 1.85 0.00 3.41 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.55 0.00 19 K 8.08 4.15 0.00 1.73 1.84 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.42 7.81 20 A 7.22 4.83 1.24 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 0.00 0.00 0.00 21 K 7.94 4.30 0.00 1.89 1.78 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.20 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.60 7.81 22 V 8.24 3.42 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.76 0.00 0.00 23 K 7.73 4.27 0.00 2.22 1.92 0.00 2.04 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.57 7.81 24 A 8.18 4.15 1.34 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 25 T 7.67 4.21 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 1.16 0.00 0.00 26 L 6.91 4.37 0.00 1.59 1.93 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.39 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.71 4.17 0.00 1.95 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 2.26 2.32 0.00 29 F 7.51 4.92 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 30 D 8.41 4.57 0.00 2.78 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 31 L 8.37 4.36 0.00 1.65 1.75 0.86 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.83 4.06 0.00 1.80 2.21 0.00 3.26 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 33 D 8.34 4.18 0.00 2.69 2.71 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 0.00 0.00 0.00 0.00 34 Y 7.70 4.69 0.00 3.04 3.05 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 0.00 0.00 0.00 35 R 7.65 4.59 0.00 1.64 1.96 0.00 3.21 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.40 0.00 36 N 7.79 4.66 0.00 3.16 2.72 0.00 0.00 6.68 7.59 0.00 0.00 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 V 7.74 3.57 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 1.02 0.00 0.00 0.98 0.00 0.00 38 E 8.17 3.93 0.00 1.96 2.00 0.00 0.00 0.00 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 2.33 0.00 39 V 7.58 3.74 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 1.03 0.00 0.00 0.54 0.00 0.00 40 L 8.05 4.01 0.00 1.70 1.81 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.99 4.04 0.00 1.83 2.08 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.42 1.50 7.81 42 R 8.14 3.89 0.00 1.77 1.37 0.00 3.14 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 43 F 8.54 4.57 0.00 3.04 3.05 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 0.00 0.00 0.00 44 L 7.19 5.07 0.00 1.80 1.75 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 45 S 9.15 4.40 0.00 3.91 4.06 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 46 E 8.61 4.17 0.00 1.96 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 2.31 2.38 0.00 47 T 7.94 4.74 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 1.31 0.00 0.00 48 G 8.73 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.77 4.16 0.00 1.75 1.76 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.45 7.81 50 I 8.22 4.57 1.88 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 1.32 0.45 0.93 0.00 0.00 51 L 8.65 4.31 0.00 1.62 1.64 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.57 0.00 2.20 1.98 0.00 3.63 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 2.12 2.12 0.00 53 R 8.55 4.09 0.00 1.87 2.02 0.00 3.31 0.00 0.00 3.44 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.75 0.00 54 R 8.08 3.92 0.00 1.79 2.03 0.00 3.19 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 55 R 7.83 4.48 0.00 1.82 1.95 0.00 3.28 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 56 T 8.43 4.35 4.67 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 1.48 0.00 0.00 57 G 8.00 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 58 L 7.73 4.54 0.00 1.90 1.74 0.86 1.01 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 59 S 8.61 4.86 0.00 4.04 3.99 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 60 G 8.60 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 0.00 0.00 0.00 61 K 7.92 4.09 0.00 1.83 1.80 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.52 7.81 62 E 7.95 3.88 0.00 2.28 1.98 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 2.30 2.32 0.00 63 Q 8.76 3.88 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 64 R 7.79 3.97 0.00 2.11 2.06 0.00 3.13 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 65 I 7.90 4.14 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.19 0.90 0.00 0.00 66 L 7.85 3.75 0.00 1.54 1.71 0.04 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.49 3.98 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 68 K 7.47 3.87 0.00 1.91 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 69 T 7.65 3.91 4.40 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 0.00 0.00 0.00 1.28 0.00 0.00 70 I 8.19 3.66 1.81 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 1.47 0.56 0.84 0.00 0.00 71 K 8.16 3.97 0.00 1.93 1.79 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.59 7.81 72 R 8.28 3.78 0.00 1.97 1.70 0.00 3.17 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 73 A 8.31 4.10 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.55 4.49 0.00 1.60 0.66 0.00 2.70 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 75 I 7.64 3.88 2.01 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 1.77 0.57 0.91 0.00 0.00 76 L 7.45 4.13 0.00 1.66 1.77 0.96 0.81 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 77 G 8.02 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 78 L 7.80 4.17 0.00 1.77 1.76 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.78 4.77 0.00 1.61 1.45 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.85 0.00 2.22 2.19 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 81 F 8.62 4.32 0.00 3.01 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.46 4.52 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 1.27 0.00 0.00 83 E 8.59 4.84 0.00 1.96 1.81 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 2.29 2.24 0.00 84 K 8.34 4.23 0.00 1.75 1.74 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.43 7.81 85 L 8.24 4.41 0.00 1.58 1.56 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 86 V 8.09 4.41 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 0.89 0.00 0.00 0.93 0.00 0.00 87 R 9.74 4.32 0.00 1.91 1.41 0.00 3.57 0.00 0.00 3.15 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.38 0.00 88 K 9.21 4.15 0.00 1.88 1.76 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.42 7.81