NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2374 8.1133 117.2696 56.3073 30.3993 176.8030 11 S 3.9867 8.5442 112.9349 58.3274 62.5436 174.2641 12 G 3.7157 7.7245 112.0481 47.7891 0.0000 175.8514 13 R 4.0875 7.6078 114.9652 57.8997 30.1434 177.1923 14 F 5.0179 8.2032 117.4181 57.3696 40.2810 176.8754 15 G 3.7037 7.4680 109.4738 47.0826 0.0000 174.1953 16 A 4.4359 8.5955 128.1854 52.1690 18.7348 177.2142 17 R 4.1263 7.3103 117.1742 57.0656 31.7961 175.7235 18 Y 4.1543 8.0592 118.4042 57.1495 36.6594 171.0534 19 G 4.0053 8.2261 103.7663 44.9672 0.0000 172.7599 20 R 3.7471 7.8697 114.9829 59.8561 30.0491 178.9319 21 V 3.5156 7.8400 116.2564 66.9990 31.8969 178.2493 22 S 4.0978 8.1614 113.5732 62.1839 63.0576 176.5026 23 R 4.4684 7.9804 116.2169 57.3429 29.6954 178.1324 24 R 4.1307 8.1738 121.0923 59.4883 30.2926 178.3454 25 R 3.9857 7.8669 117.4399 59.0324 30.2165 178.8772 26 V 3.6173 7.8722 117.8860 65.7905 31.4613 177.9238 27 A 3.9548 7.6824 119.1975 55.1452 18.3249 179.2107 28 E 3.8753 8.0559 116.4324 59.7171 29.6752 179.6237 29 I 3.6719 8.0629 119.8882 64.7844 37.2679 178.4187 30 E 4.1294 8.3103 118.6918 58.7211 28.7121 179.4342 31 S 4.0571 8.4107 114.1682 61.5106 62.3666 175.8434 32 E 4.2311 8.4859 120.9128 59.3077 29.3912 178.0573 33 M 4.8836 7.9715 119.2454 57.8617 32.4859 177.0556 34 N 4.8614 8.0793 113.4437 52.6402 39.3634 174.8186 35 E 4.1726 7.3844 119.6419 56.1048 30.2728 175.7154 36 D 4.6259 8.3082 119.8719 54.4764 41.7214 176.0070 37 H 5.0302 8.6920 119.9029 53.6812 31.9438 173.2560 38 A 4.5457 8.6131 125.0278 51.4946 18.7838 176.8123 39 C 4.1659 9.2453 124.7283 59.4774 32.0901 173.2842 40 P 4.1002 0.0000 0.0000 65.4727 30.9376 177.1414 41 N 4.0782 7.4467 116.3553 55.6552 40.8896 175.4543 42 C 4.2839 7.9476 113.2773 58.2580 28.0624 173.9173 43 G 4.1638 8.7785 106.8318 44.1009 0.0000 173.0974 44 E 4.0265 7.5746 122.0930 55.5159 30.8770 176.3277 45 D 5.1713 8.1211 126.2995 52.9904 38.6130 176.2169 46 R 4.7459 7.6247 114.3741 55.6670 33.4517 175.9532 47 V 4.7329 8.1012 119.6934 62.7628 32.3560 175.0148 48 D 5.3342 9.4895 127.1772 52.2883 45.1022 175.2874 49 R 3.5563 8.7660 121.6060 56.2355 30.6193 176.2799 50 Q 4.2784 8.4053 124.0711 56.1206 30.6569 175.5915 51 G 3.6824 6.6141 103.4343 45.7343 0.0000 171.4953 52 T 3.5463 8.4620 117.5559 64.7058 68.3833 174.5100 53 G 4.3265 8.5299 114.1590 46.5311 0.0000 171.5554 54 I 4.6245 6.9245 120.7744 58.9015 39.7931 174.8160 55 W 5.0409 8.5893 126.5505 54.9677 33.0650 174.3405 56 Q 5.7014 8.9923 122.0695 54.9714 32.8313 172.7339 57 C 5.2784 8.9495 126.1335 58.3665 32.6302 174.4066 58 S 4.3377 9.0517 121.2914 60.5038 62.7076 174.6470 59 Y 4.4853 7.7555 122.8413 59.4252 39.0119 175.2462 60 C 4.1346 7.9386 113.9147 57.5752 30.6399 173.8334 61 D 4.6198 8.3864 119.1603 55.0646 38.5923 172.9293 62 Y 4.4299 8.0355 121.7709 57.9531 39.7487 174.3212 63 K 5.0819 8.5172 128.8846 54.7515 33.9283 174.9648 64 F 4.9689 8.9421 121.9995 55.8865 41.9733 173.0485 65 T 4.8597 8.5694 109.1194 61.2562 70.2800 175.0934 66 G 4.4070 7.8250 109.1118 46.9252 0.0000 172.4268 67 G 4.0966 8.4583 110.9839 45.0808 0.0000 174.8989 68 S 3.9290 8.5085 114.8410 60.8600 62.8160 175.2031 69 Y 5.0099 7.8464 114.3310 57.2775 39.9729 175.0583 70 K 4.7625 7.9729 119.2638 53.5004 35.9865 175.4516 71 P 2.9700 0.0000 0.0000 64.2282 31.5534 176.1033 72 E 4.8504 7.6135 117.0631 53.9339 33.0880 175.3713 73 T 4.6784 8.0521 112.3757 59.1742 72.5909 173.6516 74 P 4.3392 0.0000 0.0000 66.0144 31.7163 178.9672 75 G 3.8337 8.1424 104.0153 47.5545 0.0000 175.8729 76 G 3.6583 8.1474 108.0651 47.6723 0.0000 175.9936 77 K 4.1798 8.0479 119.5631 58.9371 31.8201 179.4084 78 T 4.0242 7.6800 116.2614 66.3790 68.1744 176.4751 79 V 3.6030 7.0845 117.7105 66.3399 31.4985 177.0739 80 R 4.0302 8.1003 115.1234 59.4378 30.7920 177.9893 81 R 3.3955 7.6465 109.4623 60.1054 29.8223 176.9201 82 S 4.2951 8.9917 119.6716 59.3913 62.6545 175.1725 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 10 R 8.11 4.24 0.00 1.98 1.77 0.00 2.93 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 11 S 8.54 3.99 0.00 4.07 4.19 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 12 G 7.72 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.61 4.09 0.00 1.85 1.95 0.00 2.84 0.00 0.00 3.02 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.06 0.00 14 F 8.20 5.02 0.00 3.51 3.21 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 0.00 15 G 7.47 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.60 4.44 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.31 4.13 0.00 0.72 0.66 0.00 2.82 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.31 0.00 18 Y 8.06 4.15 0.00 3.04 2.96 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 19 G 8.23 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 20 R 7.87 3.75 0.00 1.80 1.94 0.00 3.27 0.00 0.00 3.16 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 21 V 7.84 3.52 2.09 0.00 0.00 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 0.94 0.00 0.00 22 S 8.16 4.10 0.00 3.91 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 23 R 7.98 4.47 0.00 2.36 2.53 0.00 3.13 0.00 0.00 3.45 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.74 0.00 24 R 8.17 4.13 0.00 2.05 2.13 0.00 3.10 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 25 R 7.87 3.99 0.00 1.88 1.93 0.00 3.17 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 26 V 7.87 3.62 2.25 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 1.16 0.00 0.00 1.13 0.00 0.00 27 A 7.68 3.95 1.46 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 0.00 0.00 28 E 8.06 3.88 0.00 2.06 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 2.34 2.46 0.00 29 I 8.06 3.67 1.80 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.91 0.51 0.00 0.00 30 E 8.31 4.13 0.00 2.08 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 2.32 2.43 0.00 31 S 8.41 4.06 0.00 3.98 4.03 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 32 E 8.49 4.23 0.00 2.00 2.04 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 2.40 2.50 0.00 33 M 7.97 4.88 0.00 2.34 2.47 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.07 2.74 0.00 34 N 8.08 4.86 0.00 2.79 2.88 0.00 0.00 7.09 7.07 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 35 E 7.38 4.17 0.00 1.89 1.87 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 2.36 2.52 0.00 36 D 8.31 4.63 0.00 2.53 2.59 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 37 H 8.69 5.03 0.00 3.10 3.11 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.61 4.55 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.25 4.17 0.00 3.13 2.90 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 40 P 0.00 4.10 0.00 1.80 1.90 0.00 3.41 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.83 0.00 41 N 7.45 4.08 0.00 1.54 2.51 0.00 0.00 6.94 7.65 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 42 C 7.95 4.28 0.00 3.22 2.52 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 0.00 43 G 8.78 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.57 4.03 0.00 2.08 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.21 0.00 45 D 8.12 5.17 0.00 2.59 2.62 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 46 R 7.62 4.75 0.00 1.83 1.97 0.00 3.23 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 47 V 8.10 4.73 2.39 0.00 0.00 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 1.24 0.00 0.00 48 D 9.49 5.33 0.00 2.63 2.57 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 0.00 0.00 0.00 0.00 49 R 8.77 3.56 0.00 1.10 1.50 0.00 2.94 0.00 0.00 2.91 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.50 0.00 50 Q 8.41 4.28 0.00 1.78 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 51 G 6.61 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 0.00 0.00 0.00 52 T 8.46 3.55 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 1.04 0.00 0.00 53 G 8.53 4.33 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 0.00 54 I 6.92 4.62 1.57 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 1.08 1.04 0.71 0.00 0.00 55 W 8.59 5.04 0.00 1.81 2.77 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 56 Q 8.99 5.70 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 57 C 8.95 5.28 0.00 3.33 3.10 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 0.00 0.00 0.00 0.00 58 S 9.05 4.34 0.00 4.12 4.06 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 59 Y 7.76 4.49 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 60 C 7.94 4.13 0.00 3.02 2.81 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 61 D 8.39 4.62 0.00 2.92 2.90 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 62 Y 8.04 4.43 0.00 3.05 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 63 K 8.52 5.08 0.00 1.77 1.62 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.34 7.81 64 F 8.94 4.97 0.00 3.02 2.40 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 65 T 8.57 4.86 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 1.22 0.00 0.00 66 G 7.82 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 67 G 8.46 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.51 3.93 0.00 3.22 2.68 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 69 Y 7.85 5.01 0.00 3.17 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 70 K 7.97 4.76 0.00 1.82 1.54 0.00 1.80 0.00 0.00 1.96 0.00 0.00 3.05 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.60 1.51 7.81 71 P 0.00 2.97 0.00 1.82 0.90 0.00 3.04 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.24 0.00 72 E 7.61 4.85 0.00 1.85 1.81 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 2.18 2.20 0.00 73 T 8.05 4.68 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 74 P 0.00 4.34 0.00 2.05 2.18 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 75 G 8.14 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 0.00 0.00 0.00 76 G 8.15 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.05 4.18 0.00 1.90 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.66 7.81 78 T 7.68 4.02 4.51 0.00 0.00 0.00 0.00 0.00 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 79 V 7.08 3.60 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 0.84 0.00 0.00 0.94 0.00 0.00 80 R 8.10 4.03 0.00 1.83 2.01 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 81 R 7.65 3.40 0.00 2.01 1.80 0.00 3.19 0.00 0.00 3.27 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 82 S 8.99 4.30 0.00 3.97 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00