NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 F 4.0122 8.1785 122.8084 57.9583 41.2914 176.2664 10 A 4.1699 8.1700 121.3317 51.6303 18.4995 175.5637 11 T 4.3544 8.2502 105.1508 62.7910 72.0151 174.6694 12 L 4.2426 7.6165 121.7403 55.9776 42.3132 178.9161 13 G 2.7616 7.6724 104.8411 47.6236 0.0000 174.9908 14 A 4.2217 8.2404 124.0084 55.1678 18.2571 179.9212 15 T 3.8396 7.6825 112.0476 66.6969 68.8660 176.5567 16 L 3.8419 7.6518 120.9145 57.6184 40.9589 179.3097 17 Q 4.3362 8.3622 119.9901 59.2575 28.8854 177.3061 18 D 4.5751 8.5531 116.9981 55.7534 41.6268 177.0346 19 S 4.6298 7.8331 114.2962 57.7952 63.4735 173.8480 20 I 4.0298 6.8662 123.2091 63.1115 37.2045 176.5649 21 G 4.0000 9.3997 114.2890 44.9146 0.0000 173.1661 22 K 4.6807 7.8646 119.0465 54.2263 35.4819 175.4500 23 Q 4.5233 8.5438 123.7828 56.4658 30.1526 175.2383 24 V 4.9231 9.0796 119.6352 59.4735 35.9550 174.0834 25 L 5.0241 8.8892 125.8087 53.6450 44.1586 175.3268 26 V 4.7425 9.0101 125.7547 61.0309 34.7795 174.0943 27 K 4.7858 7.7051 126.2645 54.5034 35.3773 175.1845 28 L 5.1593 8.4208 122.5624 52.3118 45.9347 176.0766 29 R 4.0823 8.3582 119.2379 57.1252 30.8385 176.4176 30 D 4.3531 9.1114 117.4455 55.7068 38.0379 174.4221 31 S 3.8101 8.1749 111.2102 59.8976 60.2659 170.8359 32 H 4.6605 7.5700 116.3899 54.9753 30.3418 174.0878 33 E 4.9597 8.6465 122.2923 54.5293 32.7944 174.3294 34 I 5.2039 8.8415 126.6351 59.6996 41.8565 174.5213 35 R 5.0810 8.7221 123.5651 54.7159 34.3781 174.6027 36 G 4.3117 8.4443 107.7973 45.8464 0.0000 172.1409 37 I 4.6597 8.3670 122.0131 60.0977 38.6991 175.4539 38 L 4.4646 8.9600 130.3307 55.5588 42.0429 177.0835 39 R 4.4212 8.9895 126.8858 58.2629 31.5243 176.8213 40 S 4.8082 7.8554 112.4743 57.9801 67.6432 173.3335 41 F 5.4588 7.9212 115.1490 56.3989 40.8332 172.8512 42 D 5.0409 8.5892 118.5334 51.3677 42.1223 175.8628 43 Q 4.0562 9.0145 116.0590 59.7448 28.3941 176.9525 44 H 4.7173 9.0151 112.6216 54.8989 28.3754 175.6660 45 V 3.5700 8.0281 117.6590 64.2736 30.5792 170.9278 46 N 4.8887 8.1372 115.2304 52.6877 39.6385 174.0766 47 L 5.2642 9.0529 122.7502 52.8210 45.7918 175.1081 48 L 5.0541 8.8369 123.7039 53.4618 44.4631 175.0469 49 L 5.4527 8.9090 126.6063 52.8637 44.9094 175.4389 50 E 4.8555 8.8430 119.9948 54.7815 33.0472 175.2721 51 D 4.5442 8.7549 117.4018 55.3640 38.8588 174.0943 52 A 4.7347 8.4821 120.2224 52.1934 20.0382 177.3117 53 E 5.1193 9.1807 116.3915 55.2089 33.6397 173.8533 54 E 4.9771 9.2480 121.5488 55.0557 32.1460 175.0057 55 I 4.9818 8.5532 125.1411 59.8676 38.8250 175.4680 56 I 4.4654 8.8884 128.4912 60.7032 40.2925 175.6763 57 D 4.4178 9.9040 125.9670 55.4834 38.2708 174.7719 58 G 3.9620 8.3331 103.6907 45.8015 0.0000 173.1027 59 N 5.0412 8.3581 117.6215 51.3267 41.7769 173.7731 60 V 4.7027 8.1844 121.7255 61.8478 33.1280 174.5154 61 Y 4.5582 9.2904 126.5108 55.9580 39.8978 175.3288 62 K 4.4382 8.7341 124.7543 56.6095 32.2936 177.3844 63 R 4.4707 9.4437 122.6759 54.0192 32.8789 177.0676 64 G 4.0266 8.4254 106.3303 45.6883 0.0000 175.2752 65 T 4.6660 8.4201 121.7256 63.1392 69.1248 172.6360 66 M 4.7522 9.3050 125.9429 53.8045 35.8771 173.6860 67 V 4.6458 8.4699 125.7039 61.4514 33.4001 174.8001 68 V 4.4273 8.6228 127.7233 60.9777 34.3259 174.8143 69 R 4.5715 8.5965 127.1797 55.5993 30.9154 177.9406 70 G 3.8430 9.4846 112.0143 47.1325 0.0000 175.2604 71 E 3.8512 8.2823 119.9249 58.7175 29.8563 176.9718 72 N 4.7918 7.8700 114.0817 52.6290 39.0720 174.5536 73 V 4.0013 7.6405 119.6569 62.9410 32.2689 175.5203 74 L 4.5426 8.7146 128.0383 56.6382 42.5113 176.6363 75 F 4.9862 7.1667 111.1573 55.9939 41.3124 172.6651 76 I 5.0888 8.4723 119.5515 59.7002 40.5534 174.9979 77 S 4.6810 9.6388 121.7876 55.5055 65.2929 171.2939 78 P 4.7642 0.0000 0.0000 62.9348 31.7364 176.2411 79 V 3.8745 8.5657 124.7366 62.0537 32.1134 174.1596 80 P 4.4372 0.0000 0.0000 63.0665 31.4572 175.9312 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 9 F 8.18 4.01 0.00 3.24 3.20 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 0.00 10 A 8.17 4.17 1.37 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 11 T 8.25 4.35 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 12 L 7.62 4.24 0.00 1.53 1.55 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.67 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 0.00 0.00 0.00 14 A 8.24 4.22 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 15 T 7.68 3.84 4.15 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 0.00 0.00 0.00 1.16 0.00 0.00 16 L 7.65 3.84 0.00 0.86 0.13 0.67 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.36 4.34 0.00 2.56 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 18 D 8.55 4.58 0.00 2.77 2.81 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 19 S 7.83 4.63 0.00 3.90 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 20 I 6.87 4.03 1.95 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.88 0.96 0.00 0.00 21 G 9.40 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 22 K 7.86 4.68 0.00 1.79 1.72 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.53 7.81 23 Q 8.54 4.52 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 24 V 9.08 4.92 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 0.63 0.00 0.00 0.96 0.00 0.00 25 L 8.89 5.02 0.00 1.79 1.78 1.01 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 26 V 9.01 4.74 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 0.93 0.00 0.00 0.91 0.00 0.00 27 K 7.71 4.79 0.00 0.79 1.29 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.17 1.05 7.81 28 L 8.42 5.16 0.00 1.52 1.57 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.36 4.08 0.00 1.70 1.87 0.00 3.44 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.76 0.00 30 D 9.11 4.35 0.00 2.92 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 31 S 8.17 3.81 0.00 3.93 3.92 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 32 H 7.57 4.66 0.00 3.14 3.16 0.00 5.55 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 33 E 8.65 4.96 0.00 1.97 1.74 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 2.26 2.29 0.00 34 I 8.84 5.20 1.83 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 1.22 0.47 0.96 0.00 0.00 35 R 8.72 5.08 0.00 1.72 1.78 0.00 3.18 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 36 G 8.44 4.31 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 0.00 37 I 8.37 4.66 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.90 1.03 0.00 0.00 38 L 8.96 4.46 0.00 1.79 1.80 1.06 1.08 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 39 R 8.99 4.42 0.00 1.99 1.97 0.00 3.36 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.47 0.00 40 S 7.86 4.81 0.00 3.72 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.92 5.46 0.00 2.96 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 42 D 8.59 5.04 0.00 2.88 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 43 Q 9.01 4.06 0.00 2.21 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.45 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 44 H 9.02 4.72 0.00 3.35 3.49 0.00 5.37 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.03 3.57 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 0.86 0.00 0.00 0.92 0.00 0.00 46 N 8.14 4.89 0.00 2.82 2.66 0.00 0.00 6.82 6.74 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 47 L 9.05 5.26 0.00 1.54 1.55 0.90 0.27 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 48 L 8.84 5.05 0.00 1.74 1.61 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.91 5.45 0.00 1.61 1.52 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.84 4.86 0.00 2.02 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 2.26 2.26 0.00 51 D 8.75 4.54 0.00 2.84 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 52 A 8.48 4.73 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 53 E 9.18 5.12 0.00 2.04 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 2.40 2.32 0.00 54 E 9.25 4.98 0.00 1.98 1.88 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 2.23 2.27 0.00 55 I 8.55 4.98 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.48 0.95 0.00 0.00 56 I 8.89 4.47 1.89 0.00 0.00 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 1.20 0.64 0.85 0.00 0.00 57 D 9.90 4.42 0.00 2.83 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 58 G 8.33 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 59 N 8.36 5.04 0.00 2.89 2.55 0.00 0.00 6.52 7.47 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 60 V 8.18 4.70 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 0.84 0.00 0.00 0.94 0.00 0.00 61 Y 9.29 4.56 0.00 2.87 2.87 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 62 K 8.73 4.44 0.00 1.65 1.76 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.42 7.81 63 R 9.44 4.47 0.00 1.61 1.94 0.00 3.37 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 64 G 8.43 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.42 4.67 4.24 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 1.21 0.00 0.00 66 M 9.30 4.75 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 67 V 8.47 4.65 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 0.80 0.00 0.00 0.92 0.00 0.00 68 V 8.62 4.43 2.06 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 0.95 0.00 0.00 0.91 0.00 0.00 69 R 8.60 4.57 0.00 1.89 1.82 0.00 3.17 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 70 G 9.48 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 E 8.28 3.85 0.00 1.93 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 2.29 2.40 0.00 72 N 7.87 4.79 0.00 2.69 2.76 0.00 0.00 6.58 7.53 0.00 0.00 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 V 7.64 4.00 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 0.71 0.00 0.00 0.94 0.00 0.00 74 L 8.71 4.54 0.00 1.40 1.73 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.17 4.99 0.00 3.00 3.10 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 0.00 0.00 0.00 0.00 76 I 8.47 5.09 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.66 0.90 0.00 0.00 77 S 9.64 4.68 0.00 3.81 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 78 P 0.00 4.76 0.00 2.12 2.05 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 79 V 8.57 3.87 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 0.79 0.00 0.00 0.96 0.00 0.00 80 P 0.00 4.44 0.00 2.22 2.01 0.00 3.86 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 1.98 1.95 0.00