NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 T 4.4812 8.0333 117.3542 63.7796 69.9717 172.6570 10 F 4.8008 8.9782 126.1309 54.8996 42.6309 169.3064 11 V 4.6851 8.4980 120.1870 61.2245 35.4097 173.8450 12 A 3.6068 8.4189 130.0749 51.4832 17.8377 177.5517 13 L 3.8416 8.1579 122.7106 58.2912 42.0839 177.6109 14 Y 5.0788 6.9287 113.2409 55.8830 41.5396 175.2758 15 D 5.0022 8.7751 120.8550 54.5268 42.5268 174.7076 16 Y 5.0547 8.5465 125.0357 56.0296 40.8387 174.2985 17 E 4.3471 8.4762 126.9142 54.2748 29.8695 175.6822 18 S 3.6602 7.4469 119.2179 58.9196 62.9179 175.0353 19 R 4.3169 8.7759 121.2260 56.5264 31.2256 175.4333 20 T 4.6905 7.2545 107.1350 59.7076 71.9927 173.6398 21 E 4.2588 8.6618 120.4944 57.3789 30.0164 176.4110 22 T 4.3865 7.7770 107.7391 62.4794 69.3275 173.3544 23 D 5.3546 7.6349 119.6074 52.9656 45.2959 174.5850 24 L 4.8096 8.3524 119.8070 53.1117 43.9767 176.6205 25 S 4.7123 8.8805 120.0555 57.6280 64.0015 173.3071 26 F 5.3694 7.6025 118.4541 55.1248 41.9479 172.9164 27 K 5.5711 8.8436 116.7333 53.1533 36.6352 175.7524 28 K 4.4965 8.9677 122.7882 59.4360 31.5565 176.7575 29 G 4.0423 8.5515 114.9502 44.8286 0.0000 172.2685 30 E 4.2975 8.0795 121.9132 55.6872 30.8336 175.7593 31 R 4.7364 8.5692 126.0206 55.8577 31.6269 175.8586 32 L 4.7344 8.6092 122.5062 52.9269 45.9780 175.6628 33 Q 4.1392 8.7888 125.3606 55.3311 29.1639 175.1853 34 I 3.6683 8.2028 127.1103 62.2118 37.3798 174.2168 35 V 4.1816 8.7748 120.6689 62.2527 33.5519 174.3029 36 N 4.9260 8.1042 120.0772 51.1198 41.2635 174.6361 37 N 4.9898 8.1673 126.4671 52.7094 37.3654 174.4895 38 T 4.5344 7.7345 107.5877 62.7442 69.1217 173.7616 39 E 4.4297 8.4443 119.4971 58.2080 31.1113 176.2927 40 G 4.0150 7.3900 110.3973 45.7979 0.0000 175.1633 41 D 4.6441 9.0803 125.0502 54.6515 41.9921 174.7971 42 W 4.6585 8.1621 118.2765 54.5670 31.1340 175.3902 43 W 5.4196 8.5760 122.7441 54.7817 33.4404 174.1516 44 L 5.0590 8.7963 123.2394 54.5121 42.7035 175.3826 45 A 5.2754 8.7343 128.0722 50.5468 22.5795 174.7470 46 H 5.1248 8.7478 119.3214 54.1730 32.7931 173.2638 47 S 4.5297 8.5967 123.3978 58.8569 63.1383 175.5888 48 L 4.3482 8.6469 123.8586 56.3598 42.3901 178.4093 49 T 4.0294 8.0789 115.0318 66.6730 68.5598 175.1793 50 T 4.2122 8.0460 115.1533 63.2517 70.5347 175.2751 51 G 4.2537 8.6656 107.7793 45.9022 0.0000 172.3189 52 Q 4.7164 7.2468 116.1503 54.4343 33.8844 176.7087 53 T 4.7580 8.4130 117.8036 62.5712 70.7261 174.6893 54 G 4.1721 8.2556 109.1717 45.9806 0.0000 172.8155 55 Y 5.4044 7.4147 124.6004 59.0343 39.6698 175.4257 56 I 4.8169 8.9548 111.4749 59.4281 41.5725 172.4757 57 P 2.9700 0.0000 0.0000 61.2848 31.4710 177.3945 58 S 3.2024 7.1330 119.6208 60.3414 62.7606 175.9458 59 N 4.4412 7.3320 116.6768 54.5343 37.4571 174.8362 60 Y 4.2544 7.6622 116.4259 57.7262 39.2486 175.1982 61 V 4.6949 6.9700 117.9324 59.7809 34.6022 174.7945 62 A 4.7163 8.2642 121.3742 49.5353 23.0336 173.6830 63 P 2.9700 0.0000 0.0000 61.8797 32.1080 176.4069 64 S 4.1885 7.4308 115.6420 58.0930 62.2496 173.4035 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 T 8.03 4.48 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 1.25 0.00 0.00 10 F 8.98 4.80 0.00 3.09 3.03 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 11 V 8.50 4.69 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 0.84 0.00 0.00 0.88 0.00 0.00 12 A 8.42 3.61 0.27 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 0.00 0.00 0.00 0.00 0.00 13 L 8.16 3.84 0.00 0.41 1.49 0.73 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.93 5.08 0.00 2.35 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.78 5.00 0.00 2.80 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 8.55 5.05 0.00 2.53 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 17 E 8.48 4.35 0.00 1.79 1.76 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 2.15 2.21 0.00 18 S 7.45 3.66 0.00 3.84 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 19 R 8.78 4.32 0.00 1.80 1.99 0.00 3.26 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.78 0.00 20 T 7.25 4.69 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 1.19 0.00 0.00 21 E 8.66 4.26 0.00 1.94 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 0.00 2.26 2.28 0.00 22 T 7.78 4.39 4.52 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 1.29 0.00 0.00 23 D 7.63 5.35 0.00 2.80 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 24 L 8.35 4.81 0.00 1.77 1.66 0.96 1.00 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 25 S 8.88 4.71 0.00 3.61 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.60 5.37 0.00 3.16 3.32 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 27 K 8.84 5.57 0.00 1.82 1.93 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.27 7.81 28 K 8.97 4.50 0.00 1.96 1.80 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.64 7.81 29 G 8.55 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.08 4.30 0.00 2.16 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 2.38 2.34 0.00 31 R 8.57 4.74 0.00 1.76 1.87 0.00 3.22 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 32 L 8.61 4.73 0.00 1.61 1.58 0.64 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.79 4.14 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 34 I 8.20 3.67 1.25 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.36 0.48 0.00 0.00 35 V 8.77 4.18 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 0.84 0.00 0.00 1.04 0.00 0.00 36 N 8.10 4.93 0.00 2.86 2.75 0.00 0.00 6.51 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 37 N 8.17 4.99 0.00 1.44 1.49 0.00 0.00 5.40 7.37 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 38 T 7.73 4.53 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 1.24 0.00 0.00 39 E 8.44 4.43 0.00 2.11 2.02 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 2.32 2.36 0.00 40 G 7.39 4.01 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 0.00 0.00 0.00 41 D 9.08 4.64 0.00 2.77 2.50 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 42 W 8.16 4.66 0.00 2.96 3.08 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 0.00 0.00 0.00 0.00 43 W 8.58 5.42 0.00 3.38 3.03 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 44 L 8.80 5.06 0.00 2.14 1.70 0.44 1.18 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 45 A 8.73 5.28 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 46 H 8.75 5.12 0.00 3.27 3.19 0.00 5.79 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.60 4.53 0.00 3.80 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.65 4.35 0.00 1.66 1.75 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.08 4.03 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 1.23 0.00 0.00 50 T 8.05 4.21 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 1.22 0.00 0.00 51 G 8.67 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 0.00 0.00 0.00 0.00 52 Q 7.25 4.72 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.84 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 53 T 8.41 4.76 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 1.08 0.00 0.00 54 G 8.26 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 0.00 0.00 0.00 0.00 55 Y 7.41 5.40 0.00 3.49 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 56 I 8.95 4.82 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.79 1.48 0.00 0.00 57 P 0.00 2.97 0.00 1.16 0.49 0.00 3.48 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.44 0.00 58 S 7.13 3.20 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 59 N 7.33 4.44 0.00 2.89 2.82 0.00 0.00 5.99 7.14 0.00 0.00 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 Y 7.66 4.25 0.00 3.10 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 61 V 6.97 4.69 1.78 0.00 0.00 0.00 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 62 A 8.26 4.72 1.05 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 0.00 0.00 63 P 0.00 2.97 0.00 1.77 1.47 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 64 S 7.43 4.19 0.00 3.75 3.67 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 0.00