NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 K 4.2523 8.3149 121.7884 55.9345 33.2138 175.3217 1 Q 3.9456 8.6911 126.1758 53.9810 29.1985 174.1076 2 R 4.6275 8.3106 118.4376 53.5349 33.2557 175.0560 3 R 3.9856 8.2784 118.6732 55.9556 30.5170 176.3149 4 S 4.2491 8.6062 120.9963 58.6897 63.4794 174.5508 5 R 4.0437 8.3183 122.0596 56.6639 30.4382 176.6336 6 T 4.1646 8.2575 119.1984 62.6782 69.5868 174.1555 7 T 4.4094 7.9750 115.4961 59.7794 70.4486 173.8087 8 F 4.7215 8.6095 125.3017 56.2199 40.5864 176.4258 9 S 4.5204 8.7814 119.8339 57.6147 65.3198 175.3006 10 A 4.1111 8.5387 124.2811 55.4386 17.9838 180.1599 11 S 3.9912 7.9448 111.1133 61.7318 62.5485 176.2892 12 Q 3.9593 8.2400 120.8506 58.9212 28.4359 178.7090 13 L 3.6347 8.4843 120.4253 57.5900 41.5886 179.0862 14 D 4.2554 8.2578 118.2688 57.1483 41.1883 177.9132 15 E 3.8740 8.0487 119.9090 59.1611 29.5539 178.8112 16 L 3.5615 7.7361 119.2729 57.6128 41.4343 179.1883 17 E 4.0886 7.8257 119.2350 59.3247 29.4425 179.0478 18 R 3.9834 8.0989 118.0120 58.9311 29.9608 178.9372 19 A 4.1049 7.8788 120.5060 55.0623 18.2298 179.3454 20 F 4.7299 8.3680 119.9210 61.2088 39.5370 176.9373 21 E 4.1313 8.5467 119.8154 59.8315 29.2596 179.9075 22 R 4.2210 7.5824 120.1179 60.0859 30.0178 180.0326 23 T 4.7045 8.3805 114.4556 60.9423 70.5485 174.0728 24 Q 4.1027 8.5474 127.1446 57.3516 29.8070 175.4655 25 Y 4.7645 7.2332 113.8289 55.3452 38.1023 173.9994 26 P 4.1383 0.0000 0.0000 62.6675 32.2376 177.6299 27 D 4.5892 8.4847 123.2673 52.7683 41.5621 176.7058 28 I 3.4879 7.9606 117.9060 64.3569 37.6487 177.2782 29 Y 4.0643 7.9999 117.9758 61.2049 37.6799 178.3721 30 T 3.8812 8.1391 116.0890 66.8849 68.6034 176.5570 31 R 3.8757 7.9763 119.7617 59.5266 30.1249 179.0775 32 E 4.0710 8.5825 120.8461 59.7737 29.3995 179.9875 33 E 3.9873 8.4032 118.7036 61.1618 29.8482 181.6577 34 L 4.1941 8.5932 120.6328 57.6042 41.6181 179.4996 35 A 4.0185 8.2996 120.8687 55.3176 18.0797 179.5479 36 Q 3.9327 7.7699 115.0058 59.3398 28.9459 178.8328 37 R 4.0786 7.8377 117.8188 59.5490 30.2711 178.6336 38 T 4.2572 8.1490 109.8500 62.3109 69.3408 175.7304 39 N 4.4229 8.3694 117.2940 52.9187 35.5381 178.3576 40 L 4.7068 7.2446 117.7948 54.2692 43.7776 177.1598 41 T 4.3438 7.9705 110.6758 61.2485 71.2765 175.4301 42 E 4.0202 8.6749 121.5565 58.8301 29.8219 178.8557 43 A 4.0253 7.9809 120.8836 55.3768 18.4533 179.6412 44 R 4.0843 7.9032 116.6041 59.2266 30.0320 179.4347 45 I 3.9584 7.6382 120.0047 64.5638 37.1820 178.1391 46 Q 4.1012 8.4353 120.5460 59.3252 28.7897 178.5829 47 V 3.6675 7.9548 118.9791 65.5893 31.5198 177.7284 48 W 3.8521 8.7312 128.5238 60.5910 30.4574 177.9879 49 F 3.7817 8.9001 117.7587 60.3575 38.1744 177.6128 50 Q 3.9859 8.1234 117.7178 59.2988 28.6391 178.8024 51 N 4.1791 8.2741 117.6315 55.9849 38.4660 177.5745 52 R 2.9858 7.2977 120.5516 59.1709 29.9288 178.9075 53 R 4.0058 7.9897 117.8076 58.9881 29.9747 178.8745 54 A 4.0113 7.5243 120.7180 54.7073 18.4339 179.6648 55 R 3.7168 7.7839 117.4715 59.2258 30.2431 178.4342 56 L 3.8048 7.7383 120.1443 58.3225 42.1791 179.2708 57 R 3.9824 8.0008 120.3866 59.8122 30.0515 179.9220 58 K 4.0677 8.1501 123.5201 59.6626 31.6668 181.4008 59 Q 4.1952 8.0182 118.5308 59.2525 28.7894 178.3869 60 H 4.2678 8.0880 117.0588 59.1448 28.5740 177.9609 61 T 3.8971 7.6430 110.1325 64.8057 68.5484 175.9327 62 S 4.1998 7.7439 114.8490 61.5742 62.5502 176.5875 63 V 3.7978 7.7706 113.4512 63.7667 31.3869 177.1138 64 S 4.4395 7.7827 118.8217 58.7254 62.8907 173.7470 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 0 K 8.31 4.25 0.00 1.73 1.80 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.47 7.81 1 Q 8.69 3.95 0.00 2.16 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 2 R 8.31 4.63 0.00 1.88 1.91 0.00 3.04 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 3 R 8.28 3.99 0.00 1.79 1.88 0.00 3.27 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 4 S 8.61 4.25 0.00 3.87 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 5 R 8.32 4.04 0.00 1.79 1.87 0.00 3.20 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 6 T 8.26 4.16 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 0.73 0.00 0.00 7 T 7.98 4.41 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 1.17 0.00 0.00 8 F 8.61 4.72 0.00 3.06 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 9 S 8.78 4.52 0.00 4.07 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 10 A 8.54 4.11 1.34 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 0.00 0.00 0.00 11 S 7.94 3.99 0.00 3.89 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 12 Q 8.24 3.96 0.00 2.33 2.16 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 2.48 2.40 0.00 13 L 8.48 3.63 0.00 1.79 1.65 1.03 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.26 4.26 0.00 2.86 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 15 E 8.05 3.87 0.00 2.19 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 2.27 2.35 0.00 16 L 7.74 3.56 0.00 0.78 0.13 -0.18 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.83 4.09 0.00 2.12 1.93 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 2.36 2.65 0.00 18 R 8.10 3.98 0.00 1.92 1.98 0.00 3.47 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 19 A 7.88 4.10 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.37 4.73 0.00 3.17 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.55 4.13 0.00 2.27 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 2.39 2.43 0.00 22 R 7.58 4.22 0.00 1.86 1.84 0.00 3.28 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 23 T 8.38 4.70 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 1.24 0.00 0.00 24 Q 8.55 4.10 0.00 1.74 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.17 0.00 0.00 0.00 0.00 0.00 1.16 1.79 0.00 25 Y 7.23 4.76 0.00 2.98 2.86 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 26 P 0.00 4.14 0.00 1.82 1.74 0.00 3.59 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.44 0.00 27 D 8.48 4.59 0.00 2.97 2.91 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 28 I 7.96 3.49 1.64 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 1.34 1.00 0.25 0.00 0.00 29 Y 8.00 4.06 0.00 3.22 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 30 T 8.14 3.88 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 1.19 0.00 0.00 31 R 7.98 3.88 0.00 1.92 1.96 0.00 3.09 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.85 0.00 32 E 8.58 4.07 0.00 2.21 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 2.30 2.43 0.00 33 E 8.40 3.99 0.00 1.96 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 2.24 2.22 0.00 34 L 8.59 4.19 0.00 1.94 1.82 1.13 0.90 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 35 A 8.30 4.02 1.49 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 0.00 0.00 36 Q 7.77 3.93 0.00 2.52 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 37 R 7.84 4.08 0.00 1.92 2.01 0.00 3.16 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 38 T 8.15 4.26 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 39 N 8.37 4.42 0.00 2.94 2.90 0.00 0.00 6.95 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 40 L 7.24 4.71 0.00 1.70 1.69 1.10 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.97 4.34 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 42 E 8.67 4.02 0.00 2.04 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 2.39 2.30 0.00 43 A 7.98 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.90 4.08 0.00 2.08 2.19 0.00 3.31 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 45 I 7.64 3.96 2.14 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.94 1.19 0.00 0.00 46 Q 8.44 4.10 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.43 0.00 47 V 7.95 3.67 2.22 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 1.08 0.00 0.00 1.05 0.00 0.00 48 W 8.73 3.85 0.00 3.47 3.29 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 49 F 8.90 3.78 0.00 3.41 3.19 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 0.00 50 Q 8.12 3.99 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 51 N 8.27 4.18 0.00 2.36 2.57 0.00 0.00 6.76 7.26 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 52 R 7.30 2.99 0.00 0.67 0.81 0.00 2.24 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 53 R 7.99 4.01 0.00 1.95 1.97 0.00 2.88 0.00 0.00 2.46 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.93 0.00 54 A 7.52 4.01 1.25 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 55 R 7.78 3.72 0.00 1.79 1.78 0.00 2.97 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 56 L 7.74 3.80 0.00 1.91 1.84 0.92 0.99 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 57 R 8.00 3.98 0.00 1.89 1.96 0.00 3.20 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 58 K 8.15 4.07 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 59 Q 8.02 4.20 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 60 H 8.09 4.27 0.00 3.22 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.64 3.90 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 62 S 7.74 4.20 0.00 3.99 4.13 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 63 V 7.77 3.80 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 0.87 0.00 0.00 1.04 0.00 0.00 64 S 7.78 4.44 0.00 3.92 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