NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2274 8.1233 123.5794 53.0980 19.8416 176.4027 6 D 4.3619 8.6146 118.3839 53.6526 38.4445 172.8357 7 T 4.2452 7.8752 108.8914 60.2533 70.7320 172.3054 8 P 4.4487 0.0000 0.0000 63.0212 31.9830 175.8193 9 T 4.7712 8.0858 109.9496 59.7137 71.3026 173.5301 10 A 4.3794 8.5390 125.6975 52.1955 19.6566 177.0874 11 C 5.0073 8.6789 119.0881 55.2090 44.4271 174.2051 12 C 4.6945 8.3873 118.9981 55.5328 41.4070 173.8352 13 F 4.6785 8.1335 122.0312 56.6281 39.1728 175.0145 14 S 4.2022 6.8399 113.2283 58.0340 64.7195 174.5590 15 Y 5.0293 7.9689 118.0456 55.9029 40.7742 175.8901 16 T 4.0391 8.7218 117.8788 63.0290 67.8182 174.3056 17 S 4.6550 8.6417 122.1487 58.7636 63.6524 174.1025 18 R 4.4265 7.5084 119.7628 53.6923 32.4640 174.3296 19 Q 2.0000 8.3638 125.7645 55.7444 29.0159 176.1334 20 I 3.7073 7.0791 126.5741 60.1667 37.9712 174.2397 21 P 3.9701 0.0000 0.0000 62.5231 31.7762 177.2394 22 Q 3.3247 8.4777 124.1318 58.7842 29.0641 177.3062 23 N 4.5400 7.6579 112.6213 54.1216 37.6820 175.2712 24 F 4.7742 8.0297 117.9839 58.2475 39.5765 175.0214 25 I 4.5904 7.6706 122.6569 60.1660 37.9937 174.8880 26 A 4.7564 8.9316 126.7293 53.3363 21.2988 175.5431 27 A 4.8465 7.8912 114.7624 52.1592 22.9055 174.3858 28 Y 5.3779 8.4268 115.4279 56.8262 40.6469 173.7623 29 F 4.2298 8.4965 114.0966 55.7508 41.7570 172.5878 30 E 4.9749 8.6176 119.6008 54.9523 30.8419 176.3669 31 T 4.3212 8.3971 114.7365 61.1194 70.1222 174.4336 32 S 4.2000 8.0446 118.6759 58.9706 62.8048 175.6520 33 S 4.3752 8.5267 121.1533 60.5458 62.7859 175.2684 34 Q 4.2137 7.7922 118.5473 57.3654 28.5007 175.8903 35 C 4.5649 7.8051 116.3142 56.4747 40.7863 174.9437 36 S 4.1540 8.5564 116.4109 60.5032 63.0218 174.6943 37 K 4.7163 7.0876 115.2191 53.4434 35.4876 174.3716 38 P 4.4765 0.0000 0.0000 63.0705 32.1251 175.9456 39 G 4.1543 7.8002 104.3789 45.5426 0.0000 172.2884 40 V 4.5373 8.1322 121.8778 60.6897 34.7327 174.1529 41 I 4.6457 7.9845 129.0678 59.6614 39.1841 174.7565 42 F 5.3548 8.7993 126.2276 56.3184 41.1656 174.4677 43 L 5.3636 9.1747 125.2151 53.7213 44.2364 176.2841 44 T 4.9874 8.9212 117.1573 60.5372 70.6531 175.9368 45 K 4.0314 8.7257 120.9298 58.9304 32.0518 178.4188 46 R 4.3788 7.9798 116.6126 55.4297 29.9289 176.0874 47 S 3.8049 8.0827 112.5074 59.4400 61.1626 172.1723 48 R 4.3119 7.6755 120.4770 56.2156 31.1204 174.8538 49 Q 5.2485 8.7000 124.7581 54.4691 31.0045 175.2214 50 V 4.5258 8.5797 122.8060 61.2819 35.0292 173.8796 51 C 5.0284 9.0564 125.2945 57.1692 40.0614 172.4857 52 A 5.1057 8.9053 123.3487 50.1656 23.1840 175.0590 53 D 3.3700 8.1483 119.7289 52.3671 41.1003 175.5255 54 P 3.9992 0.0000 0.0000 64.9006 31.3856 177.3059 55 S 4.5301 7.6137 110.6577 58.1770 63.8730 174.5563 56 E 4.2568 7.5862 122.0766 55.3687 31.4710 176.6845 57 E 3.8513 8.5680 122.9474 59.4860 29.6574 179.6113 58 W 4.1851 8.1721 116.0202 59.8500 27.9282 178.2101 59 V 2.8027 6.1794 118.1231 65.5052 30.8185 177.9465 60 Q 3.8617 7.6580 117.5145 58.4694 28.4492 178.1525 61 K 3.8714 8.2885 121.1940 60.1704 32.3252 178.4052 62 Y 4.2159 8.3866 116.8307 60.9305 37.6762 178.6526 63 V 3.1257 7.7879 118.9390 65.7474 31.5250 178.0046 64 S 4.0201 8.3145 113.2449 61.6538 62.0559 175.6601 65 D 4.3766 8.0906 120.2675 57.5072 40.5873 178.8709 66 L 4.2040 7.5316 118.0738 57.8734 42.0166 179.0401 67 E 4.2776 8.3607 118.6232 59.1498 29.3068 178.7052 68 L 4.6628 8.0643 118.0412 54.4370 41.8885 177.1685 69 S 4.1801 8.1918 119.3206 58.8598 62.9237 173.6234 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 5 A 8.12 4.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 4.36 0.00 2.90 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 7 T 7.88 4.25 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 1.19 0.00 0.00 8 P 0.00 4.45 0.00 2.08 2.05 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 9 T 8.09 4.77 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 10 A 8.54 4.38 1.50 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 11 C 8.68 5.01 0.00 2.51 2.30 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 12 C 8.39 4.69 0.00 2.88 3.04 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 13 F 8.13 4.68 0.00 3.01 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 S 6.84 4.20 0.00 3.86 3.73 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 15 Y 7.97 5.03 0.00 3.03 2.83 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 16 T 8.72 4.04 4.50 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 1.64 0.00 0.00 17 S 8.64 4.65 0.00 3.94 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 18 R 7.51 4.43 0.00 1.70 1.70 0.00 3.23 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 19 Q 8.36 2.00 0.00 0.93 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 1.37 1.16 0.00 20 I 7.08 3.71 1.87 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.63 0.96 0.00 0.00 21 P 0.00 3.97 0.00 0.49 1.42 0.00 3.33 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 22 Q 8.48 3.32 0.00 1.62 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 1.90 1.16 0.00 23 N 7.66 4.54 0.00 2.90 2.87 0.00 0.00 6.02 7.43 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 24 F 8.03 4.77 0.00 3.12 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 25 I 7.67 4.59 1.80 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.42 0.99 0.00 0.00 26 A 8.93 4.76 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.89 4.85 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 28 Y 8.43 5.38 0.00 2.67 3.06 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 0.00 0.00 0.00 0.00 29 F 8.50 4.23 0.00 2.88 2.84 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 30 E 8.62 4.97 0.00 1.91 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 0.00 2.30 2.51 0.00 31 T 8.40 4.32 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 32 S 8.04 4.20 0.00 3.94 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 33 S 8.53 4.38 0.00 3.90 3.90 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 0.00 0.00 0.00 0.00 34 Q 7.79 4.21 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 35 C 7.81 4.56 0.00 3.14 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 36 S 8.56 4.15 0.00 4.08 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 37 K 7.09 4.72 0.00 1.84 1.79 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.39 7.81 38 P 0.00 4.48 0.00 2.00 1.95 0.00 3.85 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 39 G 7.80 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 0.00 0.00 0.00 0.00 40 V 8.13 4.54 1.66 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 0.05 0.00 0.00 0.70 0.00 0.00 41 I 7.98 4.65 0.96 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.41 0.89 0.00 0.00 42 F 8.80 5.35 0.00 3.17 3.05 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 43 L 9.17 5.36 0.00 1.87 1.65 1.07 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.92 4.99 4.44 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 1.38 0.00 0.00 45 K 8.73 4.03 0.00 1.79 1.93 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.52 1.67 7.81 46 R 7.98 4.38 0.00 1.77 1.92 0.00 3.49 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 47 S 8.08 3.80 0.00 4.01 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 48 R 7.68 4.31 0.00 1.88 1.85 0.00 3.12 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 49 Q 8.70 5.25 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.49 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 50 V 8.58 4.53 2.32 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 1.16 0.00 0.00 1.06 0.00 0.00 51 C 9.06 5.03 0.00 3.06 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 52 A 8.91 5.11 1.30 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 0.00 0.00 53 D 8.15 3.37 0.00 2.07 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 0.00 0.00 0.00 0.00 54 P 0.00 4.00 0.00 1.90 1.94 0.00 3.25 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.83 0.00 55 S 7.61 4.53 0.00 3.90 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 56 E 7.59 4.26 0.00 1.46 1.62 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 2.23 2.15 0.00 57 E 8.57 3.85 0.00 2.02 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 2.36 2.35 0.00 58 W 8.17 4.19 0.00 3.16 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 59 V 6.18 2.80 1.60 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 0.74 0.00 0.00 -0.83 0.00 0.00 60 Q 7.66 3.86 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.51 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 61 K 8.29 3.87 0.00 1.99 2.21 0.00 1.89 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.77 7.81 62 Y 8.39 4.22 0.00 3.21 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.79 3.13 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 0.53 0.00 0.00 0.55 0.00 0.00 64 S 8.31 4.02 0.00 3.87 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 65 D 8.09 4.38 0.00 2.90 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 66 L 7.53 4.20 0.00 1.86 1.91 1.20 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.36 4.28 0.00 2.01 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 2.59 2.59 0.00 68 L 8.06 4.66 0.00 1.70 1.69 0.93 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.19 4.18 0.00 3.94 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