NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8500 8.3549 109.7276 45.1384 0.0000 174.0213 2 M 4.2649 7.6746 119.0491 52.5538 33.8181 172.0864 3 E 4.3588 9.4144 124.5921 56.1264 32.0359 175.6779 4 R 5.1609 8.6926 122.7410 54.9898 33.3449 175.1936 5 G 4.6151 9.0014 107.4731 45.2266 0.0000 171.4051 6 I 5.0222 8.6206 120.8162 59.0605 40.6035 175.5192 7 V 4.1509 8.8884 127.3890 63.2820 31.9985 176.6156 8 Q 3.9489 8.9352 127.2298 57.9788 29.3896 175.8992 9 Y 5.0723 7.4148 113.3080 56.0043 42.2058 175.1565 10 D 4.8890 9.0736 122.1758 55.0798 41.9217 175.7979 11 F 4.9042 9.3231 123.9094 56.8588 43.1162 172.4988 12 M 4.5934 7.8479 125.2698 53.0515 33.8705 175.2745 13 A 3.9529 8.5054 130.0111 52.7065 18.9208 176.8987 14 E 4.5075 9.1781 121.4094 56.0944 31.3938 176.0198 15 S 4.7159 7.5989 112.4499 56.0906 65.6928 174.4562 16 Q 4.1171 8.6138 123.3248 58.2300 28.7621 177.2523 17 D 4.5132 7.9698 116.6000 54.4661 40.1976 175.8860 18 E 5.0461 7.9137 119.5608 55.4099 31.3433 175.2839 19 L 4.8101 8.5064 123.2972 53.5485 44.2305 176.1682 20 T 4.5514 8.6778 123.7265 63.5652 69.2868 173.9330 21 I 4.8511 9.0562 118.7312 59.1499 41.8204 173.7864 22 K 5.1056 9.4280 124.1570 54.1528 35.4021 175.3649 23 S 4.2660 9.2120 120.9209 60.4978 62.5509 174.7419 24 G 4.0164 9.1574 116.7553 45.0964 0.0000 173.5173 25 D 4.5271 8.1362 120.3898 54.4384 42.2576 175.7073 26 K 4.7749 8.5269 121.5527 55.8321 33.8282 176.2415 27 V 4.8052 8.6384 116.8961 59.7394 36.3664 173.8920 28 Y 5.0830 8.5428 120.2446 57.0132 39.8511 175.4227 29 I 4.3948 8.7845 126.0241 60.3698 36.6449 175.7413 30 L 4.2328 8.8966 129.1142 57.4912 42.4482 177.5920 31 D 4.6273 7.7381 116.5713 52.9578 44.5493 175.3986 32 D 4.2658 8.3845 122.4933 52.6613 39.8287 175.9354 33 K 4.4283 8.3347 120.7635 57.7452 33.6591 178.9223 34 K 4.1918 8.4343 117.9122 59.0804 32.0447 177.4527 35 S 4.7099 7.6738 109.2833 56.9262 65.5710 175.2545 36 K 4.1997 8.9165 126.9157 58.8727 32.3905 177.5614 37 D 4.2721 8.1678 118.2305 54.6758 41.5700 175.9328 38 W 5.2491 7.7548 117.9213 54.7324 32.2303 174.9308 39 W 5.2873 9.0206 125.3331 55.2138 31.3688 175.1267 40 M 4.8668 8.8337 124.5770 55.4393 32.9521 174.8269 41 C 5.5670 9.3788 123.2131 58.0254 33.1821 172.6904 42 Q 5.0526 9.0030 121.2662 54.2688 32.0407 174.2850 43 L 4.4414 9.0157 127.5554 54.7561 42.2775 178.0157 44 V 3.3516 8.2825 124.8645 66.3717 31.2085 177.2910 45 D 4.5212 8.2342 118.7147 56.4547 41.0118 177.2892 46 S 4.4248 8.1368 111.8649 57.7468 64.1808 175.3800 47 G 3.9902 8.3649 108.2484 44.9066 0.0000 173.5038 48 K 4.3796 7.8575 122.1181 56.3849 33.3198 175.7965 49 S 5.2788 8.9060 119.6465 56.3640 66.6279 172.9643 50 G 4.0527 8.0974 107.1998 46.4334 0.0000 171.5441 51 L 5.1905 8.3266 120.1290 54.5383 43.1895 177.1570 52 V 4.6797 8.9356 114.7068 58.7997 36.6273 173.3994 53 P 3.5641 0.0000 0.0000 61.7758 31.9732 177.7671 54 A 2.8248 7.8080 126.1330 54.6355 18.1821 179.5357 55 Q 3.8987 7.4325 112.0412 58.1685 28.9471 177.1004 56 F 4.1764 8.3279 117.5125 58.6032 39.3586 174.5827 57 I 4.8882 7.3806 122.0484 59.3015 39.3799 174.6760 58 E 4.5168 9.1514 129.2367 53.9052 30.6868 173.4868 59 P 4.7884 0.0000 0.0000 62.9457 32.3807 176.7851 60 V 4.0203 8.4079 122.2804 63.0446 31.1012 175.3985 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 8.35 3.85 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 0.00 0.00 0.00 2 M 7.67 4.26 0.00 1.75 1.84 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.25 0.00 3 E 9.41 4.36 0.00 2.02 1.82 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 2.34 2.21 0.00 4 R 8.69 5.16 0.00 1.79 1.84 0.00 3.16 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.74 0.00 5 G 9.00 4.62 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 0.00 0.00 0.00 6 I 8.62 5.02 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.96 0.87 0.00 0.00 7 V 8.89 4.15 2.31 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 1.01 0.00 0.00 0.97 0.00 0.00 8 Q 8.94 3.95 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.41 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 9 Y 7.41 5.07 0.00 2.86 2.74 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 0.00 0.00 0.00 10 D 9.07 4.89 0.00 2.70 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 11 F 9.32 4.90 0.00 2.35 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.85 4.59 0.00 1.83 1.78 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 13 A 8.51 3.95 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 14 E 9.18 4.51 0.00 1.91 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 2.12 2.31 0.00 15 S 7.60 4.72 0.00 3.74 3.77 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 16 Q 8.61 4.12 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 17 D 7.97 4.51 0.00 2.77 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 18 E 7.91 5.05 0.00 2.10 2.24 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 2.42 2.22 0.00 19 L 8.51 4.81 0.00 1.69 1.65 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.68 4.55 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 1.25 0.00 0.00 21 I 9.06 4.85 1.95 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 1.33 1.10 1.06 0.00 0.00 22 K 9.43 5.11 0.00 1.81 1.99 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.48 7.81 23 S 9.21 4.27 0.00 3.98 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 24 G 9.16 4.02 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 0.00 0.00 0.00 25 D 8.14 4.53 0.00 2.68 2.60 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 0.00 0.00 0.00 26 K 8.53 4.77 0.00 1.61 1.58 0.00 1.58 0.00 0.00 1.78 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.42 7.81 27 V 8.64 4.81 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 0.76 0.00 0.00 1.00 0.00 0.00 28 Y 8.54 5.08 0.00 2.92 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 29 I 8.78 4.39 1.77 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.56 0.00 0.00 30 L 8.90 4.23 0.00 1.68 1.74 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.74 4.63 0.00 2.75 2.47 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 0.00 0.00 0.00 0.00 32 D 8.38 4.27 0.00 1.60 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.33 4.43 0.00 1.97 1.86 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.31 7.81 34 K 8.43 4.19 0.00 1.91 1.94 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.50 7.81 35 S 7.67 4.71 0.00 4.01 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 36 K 8.92 4.20 0.00 1.85 1.92 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.56 7.81 37 D 8.17 4.27 0.00 2.77 2.31 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 38 W 7.75 5.25 0.00 3.09 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 39 W 9.02 5.29 0.00 3.27 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 40 M 8.83 4.87 0.00 2.24 2.02 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.61 0.00 41 C 9.38 5.57 0.00 2.96 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 42 Q 9.00 5.05 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 43 L 9.02 4.44 0.00 1.64 1.57 0.99 0.70 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 44 V 8.28 3.35 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.16 0.00 0.00 45 D 8.23 4.52 0.00 2.70 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 46 S 8.14 4.42 0.00 3.98 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 47 G 8.36 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 0.00 0.00 0.00 48 K 7.86 4.38 0.00 1.91 1.71 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.41 7.81 49 S 8.91 5.28 0.00 3.96 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 50 G 8.10 4.05 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 0.00 51 L 8.33 5.19 0.00 1.65 1.89 0.84 1.00 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 52 V 8.94 4.68 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 0.93 0.00 0.00 1.02 0.00 0.00 53 P 0.00 3.56 0.00 1.95 1.08 0.00 2.20 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.05 0.00 54 A 7.81 2.82 -0.18 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 55 Q 7.43 3.90 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 56 F 8.33 4.18 0.00 2.97 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 57 I 7.38 4.89 2.05 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 1.10 1.09 1.17 0.00 0.00 58 E 9.15 4.52 0.00 1.95 1.80 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 2.24 2.27 0.00 59 P 0.00 4.79 0.00 2.03 1.99 0.00 3.82 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.37 0.00 60 V 8.41 4.02 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 0.72 0.00 0.00 0.94 0.00 0.00