NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3226 8.3349 116.7649 58.8470 63.2850 172.5548 5 H 4.7490 8.1454 121.7723 52.9580 31.7954 172.4476 6 H 4.3981 9.3118 119.1490 56.4124 29.8426 175.3242 7 H 4.7926 9.4129 121.6070 55.2095 30.5036 174.5301 8 H 4.9279 8.1135 114.8774 55.6992 29.2086 174.3427 9 H 4.4734 7.8774 115.3801 56.3022 29.5389 175.9707 10 H 4.5133 8.7383 118.8882 57.3855 29.2311 176.2361 11 G 3.9974 7.8287 107.5892 44.3699 0.0000 173.5246 12 S 4.4190 8.3687 112.7616 58.6836 63.8215 174.8603 13 G 3.6755 7.8333 109.4358 46.3329 0.0000 172.9905 14 L 4.9899 9.1079 124.6804 52.8406 44.5719 175.8457 15 K 4.6174 9.4465 121.6777 54.0253 34.9198 177.3924 16 W 4.4807 9.1416 122.6673 60.3343 29.0731 177.9933 17 T 4.2228 7.9697 106.0240 63.2836 69.4593 174.8856 18 D 4.8662 8.2026 125.9113 53.0936 39.7179 176.7679 19 S 4.2015 8.2041 120.3811 61.7652 63.3556 176.4604 20 R 3.8258 7.9245 120.4024 59.6000 29.9000 178.1275 21 E 3.9586 8.1267 117.7251 59.5280 29.4429 179.4023 22 I 3.8117 7.9872 119.9069 64.2514 37.2042 178.6823 23 G 3.6298 8.2940 106.7149 47.9352 0.0000 175.5827 24 E 4.0582 8.5207 121.0842 58.9578 29.4204 179.3031 25 A 3.8518 7.9772 120.8161 55.1332 18.3675 179.7003 26 L 3.3552 7.7088 117.5825 57.7874 41.2585 179.1829 27 Y 4.2834 7.2463 118.4707 60.7399 38.8185 177.1803 28 D 4.1311 8.0802 118.2019 57.0612 41.3670 177.7224 29 A 3.8899 7.5266 120.5437 53.4995 19.5770 177.2764 30 Y 4.9363 7.5573 114.4291 55.1300 38.1997 174.2000 31 P 4.0955 0.0000 0.0000 65.2416 31.6800 177.8559 32 D 4.9185 8.0886 114.9375 53.5429 41.5299 175.1087 33 L 4.2025 7.7374 122.2812 53.9317 42.7597 175.7909 34 D 4.3620 8.5716 125.9213 53.2985 41.3055 174.4355 35 P 3.2432 0.0000 0.0000 65.2693 31.4113 178.9967 36 K 3.8703 7.7686 116.4430 59.2085 31.9472 177.8445 37 T 4.1645 7.5961 106.7002 61.8489 69.3575 175.0567 38 V 3.8484 7.3522 123.4465 62.6822 32.2981 175.9694 39 R 4.2776 8.1676 125.6672 55.0379 32.5237 177.5699 40 F 4.5195 8.4767 121.4688 61.1375 38.8479 178.0134 41 T 3.8307 7.9390 108.7843 64.9896 68.3532 176.0880 42 D 3.8648 7.6527 121.0743 56.9733 40.9164 178.0448 43 M 3.5099 7.4909 118.8243 58.7465 32.1572 177.4825 44 H 4.2012 8.4527 118.6119 59.6574 29.8599 177.2322 45 Q 4.0261 7.5481 119.1055 58.7693 28.3119 178.7506 46 W 4.4894 7.8816 119.0845 59.9036 29.3849 178.3735 47 I 3.7993 8.2476 120.1615 64.5639 36.3347 178.3333 48 C 2.5527 7.5138 116.0449 61.5958 27.9158 174.8966 49 D 4.6473 7.3699 118.1898 53.5474 41.4721 176.8329 50 L 4.0861 7.2542 121.3733 54.4425 42.3622 177.5392 51 E 3.9029 8.9651 123.9810 59.6399 29.6240 177.7081 52 D 4.4984 7.9652 115.9708 54.8806 41.4234 175.8558 53 F 4.2416 7.8242 122.9879 58.5579 39.7606 174.5620 54 D 4.4360 7.9747 129.8307 53.7351 41.2627 172.8144 55 D 4.5754 6.0500 116.7171 52.2705 44.9640 172.9521 56 D 4.9300 8.4543 119.1314 52.3791 41.7512 175.8358 57 P 4.7973 0.0000 0.0000 66.0230 31.5711 178.3447 58 Q 3.8178 8.2664 117.2536 58.5122 29.1144 176.2781 59 A 4.2418 8.2691 119.3415 52.6220 18.5416 177.3935 60 S 3.5967 6.7224 111.4261 57.4448 64.2401 173.1854 61 N 4.7063 7.4053 117.1691 50.6771 41.0009 175.0565 62 E 3.6204 8.5389 119.8346 59.3236 29.4791 179.8605 63 K 3.9672 7.9422 118.1791 59.3325 32.1428 179.2811 64 I 3.6817 8.4156 120.4503 64.4788 36.9633 178.5974 65 L 3.8977 7.5961 119.7564 57.4891 41.1702 179.1815 66 E 4.1774 8.3384 119.5664 59.1068 29.6745 178.6885 67 A 4.0293 7.9862 120.7957 55.3056 18.4542 179.7324 68 I 3.7992 7.7076 117.9697 64.4439 37.1228 178.4287 69 L 4.3067 8.4734 121.5324 58.3531 41.9484 179.0922 70 L 4.0541 8.4015 119.1285 57.5754 41.4150 179.7121 71 V 3.6302 7.7654 118.0732 65.5879 31.4855 177.8493 72 W 4.3473 8.5357 128.2744 60.5374 30.3582 177.5896 73 L 3.8868 8.1175 119.3102 58.1793 41.5551 178.1847 74 D 4.4332 7.8350 116.9379 57.5074 41.3017 177.8605 75 E 3.8570 8.3129 117.9784 58.8436 29.4146 177.4118 76 A 4.0528 7.6043 124.5989 52.2080 18.7018 176.9275 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 4 S 8.33 4.32 0.00 3.83 3.97 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 5 H 8.15 4.75 0.00 3.17 3.19 0.00 5.70 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 H 9.31 4.40 0.00 3.06 3.17 0.00 5.88 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 H 9.41 4.79 0.00 2.97 2.97 0.00 5.59 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.11 4.93 0.00 3.00 3.21 0.00 5.90 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 H 7.88 4.47 0.00 3.14 3.18 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 10 H 8.74 4.51 0.00 3.17 3.33 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 7.83 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 0.00 0.00 0.00 12 S 8.37 4.42 0.00 4.08 3.97 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 13 G 7.83 3.68 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 0.00 0.00 0.00 14 L 9.11 4.99 0.00 1.47 1.50 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 K 9.45 4.62 0.00 1.64 1.76 0.00 1.69 0.00 0.00 1.50 0.00 0.00 2.68 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.18 1.42 7.81 16 W 9.14 4.48 0.00 3.31 3.24 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 17 T 7.97 4.22 4.30 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 1.29 0.00 0.00 18 D 8.20 4.87 0.00 2.86 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 19 S 8.20 4.20 0.00 3.89 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 20 R 7.92 3.83 0.00 1.85 1.87 0.00 3.23 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.45 0.00 21 E 8.13 3.96 0.00 2.27 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 2.44 2.50 0.00 22 I 7.99 3.81 1.93 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.75 0.93 0.00 0.00 23 G 8.29 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.52 4.06 0.00 2.16 2.05 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 2.52 2.58 0.00 25 A 7.98 3.85 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 26 L 7.71 3.36 0.00 0.73 0.13 0.84 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.25 4.28 0.00 2.89 3.13 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 28 D 8.08 4.13 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.53 3.89 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.56 4.94 0.00 3.35 2.85 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 31 P 0.00 4.10 0.00 2.09 2.00 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 32 D 8.09 4.92 0.00 2.69 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 33 L 7.74 4.20 0.00 1.68 2.01 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.57 4.36 0.00 2.76 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.24 0.00 1.83 1.17 0.00 3.41 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 1.77 0.44 0.00 36 K 7.77 3.87 0.00 1.70 1.81 0.00 1.65 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 37 T 7.60 4.16 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 1.16 0.00 0.00 38 V 7.35 3.85 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 0.81 0.00 0.00 1.00 0.00 0.00 39 R 8.17 4.28 0.00 1.78 1.72 0.00 3.14 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 40 F 8.48 4.52 0.00 2.99 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 41 T 7.94 3.83 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 42 D 7.65 3.86 0.00 2.15 1.64 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 43 M 7.49 3.51 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.79 0.00 44 H 8.45 4.20 0.00 3.22 3.46 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.55 4.03 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 46 W 7.88 4.49 0.00 3.61 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 47 I 8.25 3.80 1.89 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.80 0.35 0.00 0.00 48 C 7.51 2.55 0.00 2.88 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 49 D 7.37 4.65 0.00 2.81 2.75 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 50 L 7.25 4.09 0.00 1.84 1.57 0.85 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 51 E 8.97 3.90 0.00 1.90 1.97 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 2.28 2.34 0.00 52 D 7.97 4.50 0.00 2.72 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 53 F 7.82 4.24 0.00 2.93 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 54 D 7.97 4.44 0.00 2.35 2.26 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 55 D 6.05 4.58 0.00 1.83 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 0.00 0.00 0.00 56 D 8.45 4.93 0.00 2.91 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 57 P 0.00 4.80 0.00 2.36 2.33 0.00 3.79 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 58 Q 8.27 3.82 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 59 A 8.27 4.24 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.72 3.60 0.00 2.82 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.41 4.71 0.00 2.84 2.77 0.00 0.00 5.93 7.66 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 62 E 8.54 3.62 0.00 2.01 2.11 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 2.51 2.39 0.00 63 K 7.94 3.97 0.00 1.93 1.83 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.50 7.81 64 I 8.42 3.68 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.27 0.94 0.00 0.00 65 L 7.60 3.90 0.00 0.38 0.70 0.45 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.34 4.18 0.00 2.37 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 2.41 2.47 0.00 67 A 7.99 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.80 2.16 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 1.08 0.00 0.00 69 L 8.47 4.31 0.00 2.16 2.07 1.05 1.03 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 70 L 8.40 4.05 0.00 1.93 1.75 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.77 3.63 2.33 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 1.10 0.00 0.00 0.98 0.00 0.00 72 W 8.54 4.35 0.00 3.66 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 73 L 8.12 3.89 0.00 1.89 1.70 0.91 1.41 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 74 D 7.83 4.43 0.00 2.72 2.88 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 75 E 8.31 3.86 0.00 1.79 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 76 A 7.60 4.05 1.32 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 0.00 0.00 0.00