NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0043 8.3549 109.7365 45.9767 0.0000 172.2919 2 S 4.2262 8.3980 112.5041 59.0223 67.4584 173.8234 3 S 3.5352 8.3523 112.4756 58.7670 60.9972 173.7608 4 G 4.0413 7.9599 115.1012 44.8674 0.0000 171.8378 5 S 4.4199 8.1244 108.6850 56.6778 62.5696 172.5121 6 S 4.3291 8.2642 118.1620 57.9598 62.1710 172.5476 7 G 4.0394 7.7869 119.8736 45.0745 0.0000 172.4387 8 S 4.4636 7.8682 113.9127 57.3261 67.4057 173.9980 9 H 4.7505 8.7508 124.3183 55.6186 29.7841 173.9846 10 Q 4.0949 7.7989 114.7594 56.4020 28.7685 176.0375 11 L 4.6122 8.7508 124.4589 53.5776 44.4025 174.9998 12 I 4.7340 8.4304 127.4451 60.4554 38.3400 175.0683 13 V 4.8705 8.8566 120.9632 59.3492 35.7222 174.9756 14 K 4.3162 8.7031 126.0359 54.8979 33.8928 175.9093 15 A 4.2618 7.8294 127.9885 52.7468 18.8978 177.0606 16 R 4.3690 8.7631 117.4127 57.5265 31.3331 175.7627 17 F 4.9382 7.8427 108.8626 55.4652 41.2608 172.1978 18 N 4.3310 8.9484 115.8794 53.6241 38.4829 174.6705 19 F 4.1870 8.9501 128.0631 55.8850 41.4888 174.1308 20 K 4.4141 8.0132 128.1107 55.2532 33.2560 176.0160 21 Q 4.4362 8.4103 125.5175 55.6408 29.6424 176.5006 22 T 4.0836 8.5550 111.2117 64.4253 69.6515 173.9658 23 N 4.9365 7.6669 117.4595 51.7332 42.4740 175.0439 24 E 4.1197 8.7326 118.0881 59.3464 29.9433 178.2018 25 D 4.4170 8.1759 118.9243 56.9420 40.9802 176.1530 26 E 4.5809 7.7650 118.8707 55.1508 30.8828 174.5806 27 L 5.2614 8.5839 123.4739 53.6908 43.9139 175.7272 28 S 4.9050 8.3411 115.4205 57.1884 65.0681 173.2785 29 V 4.1369 8.8008 119.5111 60.3708 35.0802 173.8620 30 C 4.7117 8.8584 116.0749 59.5125 31.5182 173.3365 31 K 4.4004 8.0778 122.7697 56.6080 36.0719 176.2026 32 G 3.9703 8.7149 112.0776 46.6119 0.0000 174.3003 33 D 4.5546 7.1422 116.5296 52.2679 44.1059 175.4024 34 I 3.9255 8.1530 123.1623 61.7280 37.7726 175.3183 35 I 4.3015 9.3113 127.9824 59.5534 40.6386 174.3338 36 Y 5.2167 9.0746 124.3127 56.4790 39.7742 175.1561 37 V 4.0627 9.1877 126.7589 62.9105 32.0947 175.7983 38 T 3.6943 8.2686 122.1652 64.0102 68.4166 175.0454 39 R 3.5474 7.6964 121.3304 55.0376 29.4221 175.0883 40 V 2.0000 6.6802 122.6652 62.3648 28.8860 170.6863 41 E 4.8652 7.9108 121.3953 54.3676 31.7123 176.1919 42 E 4.6124 8.7916 118.1550 56.3148 30.8054 177.2756 43 G 3.9466 8.6465 109.2578 47.0499 0.0000 175.5038 44 G 5.0695 7.7209 119.6471 45.9971 0.0000 172.2457 45 W 4.9131 7.7726 119.1495 55.0086 32.2858 175.4999 46 W 5.1868 9.1475 121.4180 54.9883 32.5720 173.8673 47 E 4.1739 7.7677 125.8987 54.7693 29.9926 174.4009 48 G 4.4064 8.6071 114.9884 46.0879 0.0000 170.5308 49 T 5.0990 9.3868 116.7001 62.0347 72.6623 173.7149 50 L 4.6317 8.7110 127.5132 52.5228 44.5128 173.7072 51 N 4.3917 8.4619 120.0092 54.0864 37.5634 174.6361 52 G 3.9389 8.7101 110.9389 46.1813 0.0000 171.2359 53 R 4.7495 9.0571 117.6610 54.8671 34.4301 174.1020 54 T 4.6403 7.9748 114.1275 63.1237 72.7000 172.0181 55 G 4.2886 7.3119 107.7120 44.0306 0.0000 172.8810 56 W 5.4138 8.8669 118.8726 55.8431 31.6845 175.5476 57 F 5.2359 8.9130 115.7444 55.3500 41.2667 171.3426 58 P 4.3019 0.0000 0.0000 62.5931 31.4358 177.3257 59 S 4.1792 8.4434 120.3937 60.9575 63.4188 174.8237 60 N 4.2162 8.0469 118.3867 56.6605 38.5505 175.2624 61 Y 4.0599 8.1512 114.5490 61.1024 38.3219 176.7053 62 V 4.0368 7.5686 112.9168 61.6497 32.6638 175.4360 63 R 4.4868 9.0968 123.4445 55.4732 32.1641 174.3707 64 E 4.9321 8.6135 123.4165 55.0999 31.1051 174.8841 65 I 4.2689 8.4477 127.1766 63.1068 38.5923 176.7362 66 K 3.8050 8.1819 119.6855 57.6769 32.0598 177.5240 67 S 4.5249 8.6626 119.1423 59.5872 63.4656 175.6313 68 S 4.5296 7.9386 115.9644 59.2634 63.4179 174.8260 69 E 4.8524 7.8313 122.2578 56.9192 29.9499 177.7702 70 R 3.8673 7.6603 118.1004 59.6504 30.1665 177.3523 71 S 4.6166 8.0565 110.3820 58.5529 63.0392 175.4534 72 G 4.1088 7.8940 111.7014 43.6549 0.0000 171.5693 73 P 4.8141 0.0000 0.0000 62.3451 29.8305 175.3461 74 S 4.2572 8.4301 115.1236 58.7602 63.3462 169.6539 75 S 4.8096 7.1102 113.8213 58.0656 70.0800 174.7109 76 G 3.6440 8.0965 114.0940 45.2997 0.0000 171.8449 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 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 2 S 8.40 4.23 0.00 3.89 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 3 S 8.35 3.54 0.00 3.90 3.80 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 4 G 7.96 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 5 S 8.12 4.42 0.00 3.78 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 6 S 8.26 4.33 0.00 3.89 3.80 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 7 G 7.79 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 8 S 7.87 4.46 0.00 3.76 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 9 H 8.75 4.75 0.00 3.01 3.23 0.00 5.97 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 7.80 4.09 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.35 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 11 L 8.75 4.61 0.00 1.61 1.57 1.18 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.43 4.73 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.83 0.91 0.00 0.00 13 V 8.86 4.87 2.38 0.00 0.00 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 0.00 0.00 1.18 0.00 0.00 14 K 8.70 4.32 0.00 1.87 1.64 0.00 1.45 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.39 7.81 15 A 7.83 4.26 1.19 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 0.00 0.00 16 R 8.76 4.37 0.00 2.03 2.27 0.00 3.29 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 17 F 7.84 4.94 0.00 3.08 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 18 N 8.95 4.33 0.00 2.60 2.79 0.00 0.00 7.00 7.46 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 19 F 8.95 4.19 0.00 2.60 2.82 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 20 K 8.01 4.41 0.00 1.68 1.50 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.31 1.38 7.81 21 Q 8.41 4.44 0.00 2.49 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.87 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 22 T 8.56 4.08 4.28 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 1.31 0.00 0.00 23 N 7.67 4.94 0.00 2.82 2.70 0.00 0.00 6.93 7.66 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 24 E 8.73 4.12 0.00 2.10 2.12 0.00 0.00 0.00 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 2.36 0.00 25 D 8.18 4.42 0.00 2.67 2.78 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 26 E 7.77 4.58 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.71 0.00 27 L 8.58 5.26 0.00 2.15 1.73 1.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.34 4.90 0.00 4.07 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 29 V 8.80 4.14 1.94 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 0.36 0.00 0.00 0.68 0.00 0.00 30 C 8.86 4.71 0.00 2.92 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 31 K 8.08 4.40 0.00 1.66 1.62 0.00 2.03 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.42 7.81 32 G 8.71 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 0.00 0.00 0.00 33 D 7.14 4.55 0.00 2.49 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 34 I 8.15 3.93 1.71 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 1.27 0.67 0.50 0.00 0.00 35 I 9.31 4.30 1.50 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.72 0.50 0.00 0.00 36 Y 9.07 5.22 0.00 2.87 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 37 V 9.19 4.06 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 1.26 0.00 0.00 38 T 8.27 3.69 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 1.09 0.00 0.00 39 R 7.70 3.55 0.00 1.35 1.22 0.00 3.22 0.00 0.00 3.44 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 40 V 6.68 2.00 1.75 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 0.55 0.00 0.00 0.26 0.00 0.00 41 E 7.91 4.87 0.00 2.69 2.16 0.00 0.00 0.00 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 2.87 0.00 42 E 8.79 4.61 0.00 2.15 2.18 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 2.30 2.36 0.00 43 G 8.65 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.72 5.07 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 0.00 0.00 0.00 45 W 7.77 4.91 0.00 3.54 3.59 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 46 W 9.15 5.19 0.00 2.76 2.18 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 47 E 7.77 4.17 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 48 G 8.61 4.41 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 0.00 0.00 0.00 49 T 9.39 5.10 4.37 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 1.41 0.00 0.00 50 L 8.71 4.63 0.00 1.49 1.43 0.85 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.46 4.39 0.00 2.71 2.82 0.00 0.00 6.82 7.57 0.00 0.00 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 G 8.71 3.94 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 0.00 0.00 0.00 53 R 9.06 4.75 0.00 1.78 1.78 0.00 3.37 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 54 T 7.97 4.64 4.29 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 1.31 0.00 0.00 55 G 7.31 4.29 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 0.00 0.00 0.00 56 W 8.87 5.41 0.00 3.56 3.48 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 57 F 8.91 5.24 0.00 2.57 3.02 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 58 P 0.00 4.30 0.00 1.33 1.38 0.00 3.03 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.33 0.00 59 S 8.44 4.18 0.00 2.97 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 60 N 8.05 4.22 0.00 2.63 3.01 0.00 0.00 6.91 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 61 Y 8.15 4.06 0.00 3.14 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 4.04 2.19 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 0.78 0.00 0.00 1.15 0.00 0.00 63 R 9.10 4.49 0.00 1.85 1.79 0.00 3.05 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 64 E 8.61 4.93 0.00 2.08 1.83 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 2.27 2.45 0.00 65 I 8.45 4.27 2.01 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 1.00 0.93 0.00 0.00 66 K 8.18 3.81 0.00 1.79 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.55 7.81 67 S 8.66 4.52 0.00 3.85 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 68 S 7.94 4.53 0.00 3.84 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 69 E 7.83 4.85 0.00 2.14 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 2.30 2.13 0.00 70 R 7.66 3.87 0.00 2.03 1.99 0.00 3.27 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 71 S 8.06 4.62 0.00 3.92 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.89 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.81 0.00 2.28 2.22 0.00 3.90 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 2.03 2.00 0.00 74 S 8.43 4.26 0.00 4.14 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 75 S 7.11 4.81 0.00 3.97 3.87 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 76 G 8.10 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00