NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9578 8.3393 109.7381 44.2863 0.0000 173.6614 2 S 4.5829 7.4337 114.5986 53.7980 66.6150 172.2639 3 S 4.0906 8.8261 115.7708 57.8336 63.4910 176.0332 4 G 3.9457 7.3363 112.6404 45.6684 0.0000 170.1423 5 S 4.4140 8.1585 111.1842 59.7696 64.6103 174.8481 6 S 4.2540 8.0994 115.1102 56.7429 63.3814 173.4583 7 G 3.8239 7.7666 110.2644 45.3719 0.0000 172.1098 8 K 4.0114 8.4134 120.8303 56.1360 31.5150 176.8696 9 G 4.0744 8.5810 118.8104 47.0435 0.0000 171.9578 10 G 3.9826 7.8217 104.7644 44.5563 0.0000 173.2277 11 V 4.0766 8.1027 115.2511 61.4164 32.2659 175.4804 12 W 5.2787 8.2784 118.2950 54.9671 33.0548 175.2519 13 R 4.8090 8.5905 121.2796 54.1083 33.4106 177.1163 14 N 4.2379 8.6109 121.0930 56.6840 37.2618 176.7779 15 T 4.1049 8.0702 113.6128 63.7601 68.2355 175.2791 16 E 4.0787 8.4081 121.4787 59.0470 29.5906 179.2981 17 D 4.6012 8.7354 118.5016 57.4607 40.4026 178.5234 18 E 4.0234 8.7715 119.3777 59.6718 29.4653 179.6433 19 I 3.7858 8.1200 119.7210 64.4047 37.1270 177.9884 20 L 4.1107 8.5416 121.4342 58.1100 41.7673 178.7592 21 K 4.2471 8.7023 117.9760 60.2942 32.4622 178.5232 22 A 3.9984 8.1883 120.1790 54.3684 18.2784 179.1670 23 A 3.2379 8.3893 118.2826 55.2832 18.6116 179.9266 24 V 3.1760 7.8444 116.5035 66.4310 31.0557 178.1328 25 M 3.9869 8.0808 117.7620 57.7871 31.8481 178.1179 26 K 3.9570 7.3245 118.9135 59.4399 32.6701 178.0677 27 Y 4.4062 7.6094 117.5725 58.7012 37.1188 176.1185 28 G 4.0689 7.5092 104.0115 45.3285 0.0000 172.7007 29 K 3.2400 7.6411 116.2516 56.3505 32.0701 178.0810 30 N 4.7844 7.2786 115.4577 53.7666 39.8684 175.1035 31 Q 4.0651 7.0741 117.9025 55.3739 29.8212 178.2183 32 W 4.4981 8.1170 122.5151 60.0689 28.9618 177.8420 33 S 4.1867 8.1226 112.6614 61.6324 62.7312 176.0362 34 R 3.9950 7.9672 122.5891 58.8176 29.8106 178.1835 35 I 3.8344 8.1911 119.6343 64.4752 37.0221 177.9035 36 A 4.1381 8.2265 121.5077 55.5661 17.8988 179.7059 37 S 4.1336 7.7362 112.1237 61.8387 63.2986 175.9578 38 L 4.1702 8.0657 119.3237 57.5376 41.5184 177.6973 39 L 4.5093 7.4709 117.2395 53.5929 42.6867 176.0943 40 H 4.4664 8.6793 118.5853 56.2489 29.4350 175.2037 41 R 3.8482 8.6383 121.3047 57.4055 26.8330 176.0389 42 K 4.7196 7.8998 114.6218 54.1900 36.1531 176.2405 43 S 4.7663 8.2229 114.3507 55.5956 67.5166 174.6238 44 A 4.2466 8.7614 124.0086 55.6191 17.8515 179.8403 45 K 3.7846 8.0723 117.1430 59.7861 32.3135 178.8212 46 Q 4.0668 7.5522 118.1611 59.3454 28.6853 178.2482 47 C 4.2887 8.6142 118.1110 63.0736 28.2624 176.4209 48 K 2.4800 8.0732 121.0134 59.0506 31.6685 178.4009 49 A 3.8715 8.2533 121.7083 54.6881 18.4117 179.1360 50 R 3.5505 8.6820 116.3178 59.9856 30.1087 177.9054 51 W 4.0057 7.8484 127.7449 60.1814 30.3611 177.1758 52 Y 4.1208 8.2746 120.0547 60.8753 37.6089 178.7419 53 E 3.4597 8.1136 119.4189 58.3106 29.5135 177.5430 54 W 4.6805 7.1248 115.2117 58.0143 31.5578 176.5230 55 L 3.8648 7.2476 119.3774 53.1045 39.2437 174.9788 56 D 3.6050 6.9878 118.7797 52.1419 44.1759 174.8236 57 P 4.0392 0.0000 0.0000 66.1447 31.7652 177.4806 58 S 4.1665 7.8149 113.3170 60.6650 62.3969 174.8732 59 I 3.5959 6.8803 118.5285 61.5977 37.2568 176.6639 60 K 4.2749 8.4470 123.7887 55.8870 30.2469 176.2274 61 K 4.6612 7.9049 121.9899 54.0220 34.6241 176.7327 62 T 4.1047 8.3027 111.7006 61.9938 69.3612 174.6758 63 E 4.6312 8.4818 124.0704 55.6854 29.1993 175.7022 64 W 3.6352 8.7171 126.4671 56.3777 27.3083 175.3935 65 S 4.5718 7.9903 109.5954 57.5529 66.0955 172.4222 66 G 3.5030 8.9845 115.0120 45.4300 0.0000 172.7924 67 P 4.3695 0.0000 0.0000 62.6729 31.4235 176.4755 68 S 4.7842 8.1753 119.8134 56.1848 65.5024 174.8481 69 S 4.2192 8.5270 118.9531 58.9836 63.6439 174.4549 70 G 4.1805 8.5459 108.9231 46.1988 0.0000 173.6827 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 G 8.34 3.96 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 0.00 0.00 0.00 2 S 7.43 4.58 0.00 4.01 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 3 S 8.83 4.09 0.00 3.84 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 4 G 7.34 3.95 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 0.00 0.00 0.00 5 S 8.16 4.41 0.00 3.88 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 6 S 8.10 4.25 0.00 4.00 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 7 G 7.77 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 8 K 8.41 4.01 0.00 1.75 1.81 0.00 1.95 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.46 7.81 9 G 8.58 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 10 G 7.82 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 11 V 8.10 4.08 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 0.87 0.00 0.00 0.92 0.00 0.00 12 W 8.28 5.28 0.00 3.29 3.41 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 13 R 8.59 4.81 0.00 1.84 1.86 0.00 3.37 0.00 0.00 3.42 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 14 N 8.61 4.24 0.00 3.11 3.14 0.00 0.00 6.06 7.25 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 15 T 8.07 4.10 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 1.24 0.00 0.00 16 E 8.41 4.08 0.00 2.46 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 0.00 2.36 2.43 0.00 17 D 8.74 4.60 0.00 3.11 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 18 E 8.77 4.02 0.00 2.19 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 0.00 2.39 2.58 0.00 19 I 8.12 3.79 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.87 1.00 0.00 0.00 20 L 8.54 4.11 0.00 2.25 2.13 1.34 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.70 4.25 0.00 1.88 2.07 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.73 7.81 22 A 8.19 4.00 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 23 A 8.39 3.24 1.33 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 0.00 0.00 24 V 7.84 3.18 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.58 0.00 0.00 0.55 0.00 0.00 25 M 8.08 3.99 0.00 1.92 2.17 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.84 0.00 26 K 7.32 3.96 0.00 1.43 1.15 0.00 1.61 0.00 0.00 1.19 0.00 0.00 3.18 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.27 1.40 7.81 27 Y 7.61 4.41 0.00 2.75 2.97 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 0.00 0.00 0.00 28 G 7.51 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 29 K 7.64 3.24 0.00 1.66 1.92 0.00 1.72 0.00 0.00 1.90 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.89 0.81 7.81 30 N 7.28 4.78 0.00 2.75 2.92 0.00 0.00 6.06 7.30 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 31 Q 7.07 4.07 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 32 W 8.12 4.50 0.00 3.43 3.21 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 0.00 33 S 8.12 4.19 0.00 4.07 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 34 R 7.97 4.00 0.00 1.80 1.93 0.00 2.91 0.00 0.00 2.66 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 35 I 8.19 3.83 2.24 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.75 1.11 0.00 0.00 36 A 8.23 4.14 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.74 4.13 0.00 4.09 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 38 L 8.07 4.17 0.00 1.86 1.84 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.47 4.51 0.00 1.59 1.49 1.22 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.68 4.47 0.00 3.25 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.64 3.85 0.00 1.71 1.97 0.00 3.00 0.00 0.00 3.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.19 0.00 42 K 7.90 4.72 0.00 1.82 1.71 0.00 1.34 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 0.97 7.81 43 S 8.22 4.77 0.00 4.01 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 44 A 8.76 4.25 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.78 0.00 1.81 1.84 0.00 1.75 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 46 Q 7.55 4.07 0.00 2.52 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.73 0.00 0.00 0.00 0.00 0.00 2.46 2.63 0.00 47 C 8.61 4.29 0.00 3.15 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 2.48 0.00 1.17 1.44 0.00 1.25 0.00 0.00 1.50 0.00 0.00 3.27 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.27 0.78 7.81 49 A 8.25 3.87 1.33 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 0.00 0.00 50 R 8.68 3.55 0.00 1.46 1.68 0.00 2.98 0.00 0.00 2.71 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.82 0.00 51 W 7.85 4.01 0.00 3.39 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 52 Y 8.27 4.12 0.00 3.06 2.89 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 0.00 0.00 0.00 53 E 8.11 3.46 0.00 1.33 1.12 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 1.73 2.07 0.00 54 W 7.12 4.68 0.00 3.12 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 55 L 7.25 3.86 0.00 1.01 1.16 0.93 0.91 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 56 D 6.99 3.60 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.04 0.00 2.26 2.20 0.00 3.88 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 58 S 7.81 4.17 0.00 3.89 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 0.00 59 I 6.88 3.60 1.93 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.92 0.00 0.00 60 K 8.45 4.27 0.00 1.76 1.80 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 61 K 7.90 4.66 0.00 1.74 1.73 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.33 7.81 62 T 8.30 4.10 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 1.22 0.00 0.00 63 E 8.48 4.63 0.00 2.01 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 2.25 2.49 0.00 64 W 8.72 3.64 0.00 3.29 3.30 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 65 S 7.99 4.57 0.00 3.98 3.95 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 66 G 8.98 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.19 2.13 0.00 3.71 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 1.99 1.98 0.00 68 S 8.18 4.78 0.00 3.85 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 69 S 8.53 4.22 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.55 4.18 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 0.00 0.00 0.00