NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 G 3.8881 8.3549 109.7356 45.4417 0.0000 172.8793 20 S 4.1216 7.8583 115.4374 58.4714 63.7645 169.3576 21 V 4.2553 8.0676 120.1338 61.4128 35.5142 172.0313 22 P 4.7325 0.0000 0.0000 62.8804 32.6598 174.0847 23 V 4.5231 8.1336 120.2635 61.9210 33.3152 175.4349 24 I 5.0002 8.6823 129.0963 59.3422 40.2992 174.2361 25 L 5.1895 8.8398 128.7353 53.1871 44.8451 174.3859 26 E 5.1701 9.5789 127.4700 54.4941 32.8064 174.9971 27 V 3.8330 8.9239 127.7678 61.6711 31.1551 176.1921 28 A 4.2021 8.5010 131.5278 53.9521 19.8962 177.4017 29 G 3.9433 6.4497 106.9185 46.4430 0.0000 176.9421 30 I 4.1370 8.9335 125.9278 59.4760 36.6182 175.0347 31 G 4.1504 8.6137 112.2604 44.3903 0.0000 170.9135 32 K 4.7091 7.3722 119.4047 54.9243 34.5597 174.9935 33 Y 5.3390 8.9705 120.7465 56.2962 43.0109 173.9473 34 A 5.4468 9.1846 122.9034 50.1568 22.7762 175.2358 35 I 5.0539 8.9155 114.3494 59.1402 41.2391 174.1486 36 S 5.1214 9.4153 121.1353 56.7848 64.4642 172.7316 37 I 4.3405 9.3295 130.1976 59.1767 38.8102 176.5446 38 G 4.2408 9.1815 118.5663 46.3235 0.0000 172.4912 39 G 4.0013 8.4049 106.2161 44.6490 0.0000 173.2862 40 E 4.3765 8.1875 121.6189 55.1799 30.9820 175.0387 41 R 5.0278 8.5869 127.1848 54.7848 32.1513 174.8728 42 Q 4.7337 9.3738 125.1679 54.0814 31.6404 174.2476 43 E 4.7668 8.9298 124.1856 54.9012 32.8761 175.2154 44 G 3.8775 8.8323 110.4029 46.3537 0.0000 173.5966 45 L 4.4179 7.9178 119.2596 53.8257 42.8562 177.0143 46 T 4.8042 8.0429 112.4166 60.5456 71.9785 175.9712 47 E 3.6178 8.4725 119.8650 59.4731 29.6084 179.1677 48 E 3.9009 8.0729 118.8908 59.4484 29.7584 178.3887 49 M 4.0809 8.0577 118.4112 58.4267 32.2416 178.5321 50 V 3.6504 8.1216 119.8374 64.9865 31.3511 178.6147 51 T 3.7460 7.7765 116.2175 66.3773 68.3560 176.0393 52 Q 3.9569 7.8102 120.9745 59.4438 28.9596 178.8392 53 L 4.0206 7.9558 119.4784 57.9779 41.7155 179.6206 54 S 4.3291 8.3235 115.2648 61.8396 62.8000 177.1399 55 R 4.0185 8.4670 121.0756 59.3265 29.6230 178.9286 56 Q 4.0299 8.2914 119.3979 59.2699 29.0491 178.1570 57 E 4.0654 8.5969 119.8558 59.3393 29.2996 179.0677 58 F 4.9540 8.3598 121.3928 60.7470 39.5434 176.5128 59 D 4.2470 8.1892 117.0463 56.5195 41.0420 177.5959 60 K 4.3367 7.6399 119.5117 57.0226 32.2560 176.1767 61 D 4.7709 7.9414 119.1711 52.5120 42.9975 176.0569 62 N 4.2437 8.8012 122.1641 54.6026 39.0235 175.7505 63 N 4.9517 7.9912 114.6758 52.4219 37.6791 174.6452 64 T 3.8715 8.0387 109.7157 61.7284 69.1291 173.5757 65 L 4.0986 8.4984 129.5265 55.1372 43.1810 175.1720 66 F 5.2153 8.8610 125.5307 55.6683 40.9691 175.2175 67 L 4.9258 8.7650 122.8070 53.9594 43.9730 175.4035 68 V 5.0252 8.6045 121.0106 61.2147 34.1921 174.7239 69 G 4.7493 8.6897 113.5164 43.6062 0.0000 171.4877 70 G 4.6931 8.6164 108.1968 43.8205 0.0000 172.4145 71 A 4.4630 8.3487 122.7903 50.8206 19.5925 179.1210 72 K 3.9199 8.6741 118.3210 59.4645 32.1729 178.3772 73 E 4.2927 8.0757 115.6928 56.5169 29.9061 176.3431 74 V 4.2107 7.3591 119.8741 59.1243 33.1339 174.4002 75 P 4.4444 0.0000 0.0000 62.6282 32.1504 176.6964 76 Y 4.3971 8.7491 121.3059 61.0990 38.7750 178.2115 77 E 3.8031 8.2817 119.0562 59.4256 29.4026 179.0301 78 E 4.0735 8.1586 118.6665 59.0905 29.4955 179.3484 79 V 3.6890 7.7730 118.0436 65.9359 31.6915 177.9624 80 I 3.6555 7.6965 119.5701 64.3152 36.8732 178.3486 81 K 3.8685 7.9300 118.8287 59.4590 31.9258 179.0704 82 A 3.9826 8.2787 120.9321 55.3649 18.3838 179.6776 83 L 3.9404 8.1134 117.4805 57.8787 41.6607 179.2958 84 N 4.2821 8.5928 117.3924 56.7148 38.7562 176.9430 85 L 3.9796 8.1584 120.7231 57.7220 41.5863 179.5229 86 L 3.8471 7.8216 118.9448 57.9532 41.5123 179.0151 87 H 4.0015 8.2140 118.2340 59.0757 29.5516 176.9469 88 L 3.9207 7.8408 121.0258 57.7639 41.9274 177.8811 89 A 4.4456 7.5006 117.8084 50.9424 19.2781 176.9028 90 G 3.7530 7.8143 105.7891 47.3752 0.0000 175.4897 91 I 3.1058 7.6378 121.1294 62.3114 38.2149 176.5943 92 K 3.8714 7.3670 124.6512 56.9005 31.8171 174.4656 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 19 G 8.35 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 0.00 0.00 0.00 20 S 7.86 4.12 0.00 3.94 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 21 V 8.07 4.26 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 0.87 0.00 0.00 0.92 0.00 0.00 22 P 0.00 4.73 0.00 2.04 2.11 0.00 3.58 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 2.09 2.07 0.00 23 V 8.13 4.52 1.04 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 0.91 0.00 0.00 0.48 0.00 0.00 24 I 8.68 5.00 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.38 0.95 0.00 0.00 25 L 8.84 5.19 0.00 1.80 1.57 0.89 0.61 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 26 E 9.58 5.17 0.00 2.09 1.78 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 2.20 2.27 0.00 27 V 8.92 3.83 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 0.72 0.00 0.00 1.15 0.00 0.00 28 A 8.50 4.20 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 29 G 6.45 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 30 I 8.93 4.14 1.85 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 1.31 0.96 0.91 0.00 0.00 31 G 8.61 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 32 K 7.37 4.71 0.00 1.62 1.68 0.00 1.44 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.46 7.81 33 Y 8.97 5.34 0.00 2.91 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 34 A 9.18 5.45 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 35 I 8.92 5.05 1.92 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 1.15 0.89 0.97 0.00 0.00 36 S 9.42 5.12 0.00 3.85 3.75 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 37 I 9.33 4.34 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.90 0.00 0.00 38 G 9.18 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 0.00 0.00 0.00 0.00 39 G 8.40 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 40 E 8.19 4.38 0.00 2.06 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 2.27 2.25 0.00 41 R 8.59 5.03 0.00 1.85 1.79 0.00 3.40 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 42 Q 9.37 4.73 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.48 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 43 E 8.93 4.77 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 2.19 2.29 0.00 44 G 8.83 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 0.00 0.00 0.00 45 L 7.92 4.42 0.00 1.88 1.63 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 T 8.04 4.80 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 1.25 0.00 0.00 47 E 8.47 3.62 0.00 1.99 1.89 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 2.40 2.47 0.00 48 E 8.07 3.90 0.00 2.02 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 0.00 2.37 2.35 0.00 49 M 8.06 4.08 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 50 V 8.12 3.65 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 0.46 0.00 0.00 0.89 0.00 0.00 51 T 7.78 3.75 4.36 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 1.17 0.00 0.00 52 Q 7.81 3.96 0.00 2.27 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 53 L 7.96 4.02 0.00 1.78 1.88 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.32 4.33 0.00 4.00 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 55 R 8.47 4.02 0.00 1.99 2.01 0.00 3.33 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 56 Q 8.29 4.03 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 57 E 8.60 4.07 0.00 2.41 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 2.35 2.40 0.00 58 F 8.36 4.95 0.00 3.23 3.17 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 59 D 8.19 4.25 0.00 2.78 2.67 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 60 K 7.64 4.34 0.00 1.78 1.83 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.46 7.81 61 D 7.94 4.77 0.00 2.95 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.80 4.24 0.00 2.64 2.75 0.00 0.00 6.79 7.78 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 63 N 7.99 4.95 0.00 2.86 2.92 0.00 0.00 6.10 7.72 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 64 T 8.04 3.87 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 1.18 0.00 0.00 65 L 8.50 4.10 0.00 1.78 1.54 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.86 5.22 0.00 2.88 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 67 L 8.76 4.93 0.00 1.76 1.72 0.94 0.35 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 68 V 8.60 5.03 2.13 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 0.98 0.00 0.00 0.99 0.00 0.00 69 G 8.69 4.75 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 0.00 0.00 0.00 70 G 8.62 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 8.35 4.46 1.29 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 72 K 8.67 3.92 0.00 1.73 1.88 0.00 1.62 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.51 7.81 73 E 8.08 4.29 0.00 1.92 1.97 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 2.28 2.34 0.00 74 V 7.36 4.21 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 0.73 0.00 0.00 0.99 0.00 0.00 75 P 0.00 4.44 0.00 2.27 2.24 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.96 0.00 76 Y 8.75 4.40 0.00 3.00 2.97 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 77 E 8.28 3.80 0.00 1.99 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 0.00 2.31 2.33 0.00 78 E 8.16 4.07 0.00 2.28 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 2.40 0.00 79 V 7.77 3.69 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 1.15 0.00 0.00 1.16 0.00 0.00 80 I 7.70 3.66 1.86 0.00 0.00 0.56 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 0.09 0.80 0.00 0.00 81 K 7.93 3.87 0.00 2.02 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 82 A 8.28 3.98 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 83 L 8.11 3.94 0.00 1.88 1.73 0.97 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.59 4.28 0.00 2.90 2.87 0.00 0.00 7.17 6.67 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 85 L 8.16 3.98 0.00 1.72 1.62 0.85 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 86 L 7.82 3.85 0.00 1.76 1.51 0.64 0.97 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 87 H 8.21 4.00 0.00 3.21 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.84 3.92 0.00 1.85 1.72 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.50 4.45 1.21 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 0.00 0.00 90 G 7.81 3.75 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 0.00 0.00 0.00 91 I 7.64 3.11 1.47 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.09 -0.88 0.00 0.00 92 K 7.37 3.87 0.00 1.42 1.50 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.27 7.81