NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 M 4.3661 8.3044 120.3433 54.8570 32.9322 174.7912 21 K 3.7063 8.5257 128.4462 54.7682 32.8019 174.7993 22 T 4.3410 8.1368 113.5428 60.8942 70.9558 172.3239 23 E 4.9885 6.7011 120.8061 54.0407 33.3854 174.7653 24 W 5.1873 8.3991 121.8783 53.1696 29.6142 174.3933 25 P 4.3903 0.0000 0.0000 65.3528 31.7703 179.1179 26 E 4.1801 8.2618 116.1873 58.0853 30.0088 177.8603 27 L 4.4302 8.1691 119.3801 55.2442 42.2862 176.8141 28 V 3.8913 7.3392 119.9082 64.1853 31.7064 176.2783 29 G 3.9769 9.1904 116.2766 45.2941 0.0000 173.6791 30 K 4.3612 7.8434 119.6958 55.0874 33.4168 176.5473 31 S 4.7318 8.5273 116.8458 57.8545 64.8562 175.6343 32 V 3.6237 8.3771 123.8744 65.0462 30.9314 178.7056 33 E 3.8838 8.0401 118.7080 59.2672 29.3550 178.6745 34 E 3.8815 8.2259 119.1045 59.0657 29.5986 178.4930 35 A 3.8730 7.9884 120.8087 55.1775 18.4337 179.6674 36 K 3.7071 8.0321 116.8398 59.3794 32.2138 179.3781 37 K 3.8359 7.9116 119.7240 59.5531 32.2686 178.9997 38 V 3.5733 7.8876 118.5760 66.1072 31.3852 178.0432 39 I 3.1579 7.6871 119.8370 64.1488 36.6920 178.3961 40 L 4.1550 7.9636 119.3988 57.2978 41.1544 179.5198 41 Q 4.0200 7.6028 117.4737 58.9266 28.7460 177.7664 42 D 4.7683 7.9886 118.4988 55.6504 42.6180 177.0711 43 K 4.6959 8.3691 120.3500 53.9728 32.4877 174.4961 44 P 4.4398 0.0000 0.0000 63.9820 31.8646 177.2681 45 A 4.4448 7.8487 118.6451 51.5787 19.1019 176.6989 46 A 4.2318 7.8235 119.4849 53.0976 19.3859 178.2632 47 Q 4.3265 9.2211 121.5339 54.7528 29.8608 174.6176 48 I 4.7734 8.0925 125.3476 59.7772 38.8943 175.3221 49 I 4.4274 8.2001 126.4993 59.0757 40.9535 173.9638 50 V 4.5044 8.3198 129.2838 61.8157 32.5014 174.8208 51 L 4.9130 8.5259 126.8529 52.0938 46.6704 174.0671 52 P 4.9700 0.0000 0.0000 62.0902 32.4823 176.7919 53 V 3.9251 8.7422 124.6545 63.2142 31.8073 176.3163 54 G 3.8251 8.7869 109.6024 46.3610 0.0000 173.3134 55 T 4.5157 7.2363 108.1079 59.8233 70.8013 173.8385 56 I 4.3666 7.9490 122.3710 60.1191 38.5663 175.8540 57 V 4.6565 7.8434 116.1479 59.1557 35.5620 175.6105 58 T 4.0524 8.4952 111.5975 62.3959 69.0079 174.2705 59 F 5.3346 8.5898 121.7418 57.3177 39.7527 175.7548 60 E 4.5092 8.2439 117.3881 55.4788 31.1515 174.5672 61 Y 4.7580 8.4749 120.7420 55.9157 40.3964 175.1460 62 R 4.3623 8.1576 126.7936 54.1309 31.9106 176.4623 63 I 3.5178 8.1415 124.0840 62.8985 38.4485 176.1080 64 D 4.5782 7.9119 118.2930 53.8210 40.3065 175.3539 65 R 4.9365 7.5719 121.6679 54.8858 32.7973 175.1767 66 V 4.5892 8.3987 124.3782 61.1375 34.3171 174.5415 67 R 4.4878 8.6722 127.4754 55.7103 31.2404 176.0698 68 L 4.5488 8.6115 123.7964 53.0318 44.2002 175.4948 69 F 5.0590 8.7946 123.5799 56.4678 40.4445 175.3635 70 V 5.0167 8.6797 117.9769 59.5341 34.8296 176.2991 71 D 4.7742 8.7627 123.9134 52.2610 40.9843 177.0638 72 R 4.1038 8.4377 114.3263 58.2160 29.4933 176.9829 73 L 4.3025 8.0393 117.7097 54.3039 42.2881 175.9927 74 D 4.4800 8.1372 117.9315 55.2876 40.2780 172.8167 75 N 5.3061 7.9872 113.2011 50.7745 40.7903 174.5513 76 I 3.9036 8.7907 122.3290 61.6509 37.4564 176.8116 77 A 4.6735 8.8652 127.4296 52.0280 20.1365 175.8753 78 Q 4.5432 7.6719 115.0662 53.7492 32.2238 174.0271 79 V 3.8112 8.3813 123.2499 62.6329 31.6935 173.9839 80 P 4.8034 0.0000 0.0000 62.8935 32.3943 175.5891 81 R 5.1196 8.5250 118.6567 54.4787 32.7217 174.8436 82 V 3.9852 8.8235 121.3837 62.5194 32.5478 176.3553 83 G 3.1149 8.3828 114.9420 45.4009 0.0000 172.6087 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 20 M 8.30 4.37 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 21 K 8.53 3.71 0.00 1.69 1.42 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.61 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.45 1.08 7.81 22 T 8.14 4.34 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 23 E 6.70 4.99 0.00 1.74 1.60 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 2.18 2.31 0.00 24 W 8.40 5.19 0.00 3.42 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 25 P 0.00 4.39 0.00 2.24 2.34 0.00 3.68 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 2.08 1.95 0.00 26 E 8.26 4.18 0.00 2.19 2.29 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 2.47 2.36 0.00 27 L 8.17 4.43 0.00 1.97 1.76 0.77 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.34 3.89 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 0.82 0.00 0.00 1.06 0.00 0.00 29 G 9.19 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 30 K 7.84 4.36 0.00 1.90 1.74 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.56 1.54 7.81 31 S 8.53 4.73 0.00 4.25 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 32 V 8.38 3.62 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.88 0.00 0.00 33 E 8.04 3.88 0.00 2.05 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 2.38 2.40 0.00 34 E 8.23 3.88 0.00 2.04 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 2.29 2.31 0.00 35 A 7.99 3.87 1.29 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 0.00 0.00 0.00 36 K 8.03 3.71 0.00 1.89 1.79 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.51 7.81 37 K 7.91 3.84 0.00 1.80 1.90 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.43 7.81 38 V 7.89 3.57 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 1.04 0.00 0.00 0.96 0.00 0.00 39 I 7.69 3.16 1.52 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.39 0.00 0.00 40 L 7.96 4.16 0.00 1.70 1.67 0.89 0.64 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 41 Q 7.60 4.02 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.01 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 42 D 7.99 4.77 0.00 3.11 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 43 K 8.37 4.70 0.00 1.94 1.82 0.00 1.88 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.49 7.81 44 P 0.00 4.44 0.00 2.08 2.11 0.00 3.79 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 45 A 7.85 4.44 1.26 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 0.00 0.00 46 A 7.82 4.23 1.25 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 0.00 0.00 0.00 47 Q 9.22 4.33 0.00 1.89 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 48 I 8.09 4.77 1.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.41 0.79 0.00 0.00 49 I 8.20 4.43 1.80 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.55 0.78 0.00 0.00 50 V 8.32 4.50 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 0.78 0.00 0.00 0.84 0.00 0.00 51 L 8.53 4.91 0.00 1.07 1.47 0.76 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.97 0.00 2.14 2.01 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 53 V 8.74 3.93 2.20 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 0.76 0.00 0.00 0.93 0.00 0.00 54 G 8.79 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 55 T 7.24 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 1.30 0.00 0.00 56 I 7.95 4.37 1.84 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 1.39 0.57 0.80 0.00 0.00 57 V 7.84 4.66 2.29 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 1.06 0.00 0.00 1.26 0.00 0.00 58 T 8.50 4.05 4.36 0.00 0.00 0.00 0.00 0.00 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 59 F 8.59 5.33 0.00 2.97 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 60 E 8.24 4.51 0.00 2.15 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 2.30 2.28 0.00 61 Y 8.47 4.76 0.00 2.87 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.16 4.36 0.00 1.69 1.87 0.00 3.32 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 63 I 8.14 3.52 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.90 0.00 0.00 64 D 7.91 4.58 0.00 2.84 2.86 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 65 R 7.57 4.94 0.00 1.87 1.86 0.00 3.00 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 66 V 8.40 4.59 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 67 R 8.67 4.49 0.00 1.70 1.20 0.00 3.33 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 68 L 8.61 4.55 0.00 1.39 1.48 0.80 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 69 F 8.79 5.06 0.00 3.03 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 70 V 8.68 5.02 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 0.75 0.00 0.00 1.04 0.00 0.00 71 D 8.76 4.77 0.00 2.91 2.86 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 72 R 8.44 4.10 0.00 1.95 2.11 0.00 3.03 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 73 L 8.04 4.30 0.00 1.82 1.75 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.14 4.48 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.99 5.31 0.00 2.96 2.80 0.00 0.00 7.03 7.32 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 76 I 8.79 3.90 2.08 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 1.40 0.95 0.99 0.00 0.00 77 A 8.87 4.67 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.67 4.54 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 79 V 8.38 3.81 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 80 P 0.00 4.80 0.00 2.35 1.97 0.00 4.03 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.15 0.00 81 R 8.52 5.12 0.00 1.86 1.96 0.00 3.11 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 82 V 8.82 3.99 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 0.74 0.00 0.00 1.17 0.00 0.00 83 G 8.38 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