NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 G 3.8747 8.3501 109.7365 45.3936 0.0000 171.8549 24 A 4.3964 7.6150 122.6585 50.2042 22.9762 172.9928 25 G 3.8428 9.9053 106.1898 45.1089 0.0000 173.0861 26 E 4.6055 8.0139 116.3829 53.9409 30.2182 173.2399 27 P 4.5047 0.0000 0.0000 62.4140 32.8881 176.3009 28 T 4.3651 7.9243 115.1946 62.5016 70.5487 174.6064 29 T 4.3224 8.0007 111.9266 61.2714 70.3257 175.6533 30 L 3.8804 8.4274 122.8715 58.2968 42.2182 178.4151 31 L 3.9187 7.9068 119.8275 58.4137 41.9565 178.3166 32 Q 3.9230 8.1045 119.4841 59.1774 28.8828 178.1141 33 R 3.9612 7.8744 119.0040 59.2611 30.4175 178.9837 34 L 4.6815 8.0920 120.1351 57.2532 41.6171 179.0782 35 R 4.0050 8.1973 117.7107 59.4956 29.8998 178.1536 36 G 3.7666 7.9016 104.5562 45.9579 0.0000 173.9896 37 T 4.1642 7.1945 108.0574 60.6646 71.6469 172.5947 38 I 3.8742 8.4866 124.3190 62.1389 37.9765 175.8786 39 S 4.5488 8.3896 117.3900 57.1329 64.0302 175.1753 40 K 3.8869 8.7355 128.3384 59.6858 31.8973 179.1155 41 A 3.9691 7.9368 120.3797 55.0296 18.3696 179.5146 42 V 3.4806 7.7007 116.5787 66.3204 31.6718 178.1597 43 Q 3.9374 7.9488 117.3572 58.9930 28.6687 178.1379 44 N 4.2111 8.3855 118.2093 56.8288 38.9616 176.6899 45 K 3.8655 8.4340 119.9244 59.6186 32.2008 179.1051 46 V 3.5444 7.7428 118.2261 66.3506 31.4000 177.7568 47 E 4.0734 8.2680 118.6903 58.8981 29.3908 178.8187 48 G 3.5402 8.0543 106.1061 47.9435 0.0000 175.7567 49 I 3.6989 7.7462 122.9264 63.5189 37.1794 178.3761 50 L 3.8913 7.7967 119.8968 58.1861 41.5076 179.5868 51 Q 3.8932 8.0035 119.0384 58.7066 28.6906 177.3133 52 D 4.1767 7.5746 118.6316 57.5682 41.5927 178.4270 53 V 3.1187 7.4766 118.3150 65.6458 31.3331 177.6742 54 Q 4.3039 7.4533 119.2922 57.9369 28.8259 177.7356 55 K 3.8761 7.0721 119.2764 58.2896 32.2606 175.7411 56 F 5.0428 6.3259 111.7356 53.9563 41.1321 174.3096 57 S 4.1881 8.8312 114.0183 59.5527 62.3767 174.7465 58 D 4.6609 8.8123 126.7877 56.8415 40.9170 178.7369 59 N 4.4236 8.0771 116.7197 56.3248 39.0081 176.5077 60 D 4.4266 8.0585 119.2690 57.6333 41.1503 178.5586 61 K 4.0795 7.8775 118.5780 59.2435 32.2249 178.2819 62 L 3.9436 7.9463 120.7641 58.6242 41.8005 178.7632 63 Y 3.9217 8.1647 116.1582 60.8356 37.9225 177.7095 64 L 4.0218 8.1727 120.7985 58.3445 41.9842 176.8469 65 Y 4.1969 8.5308 116.7564 59.3309 38.1715 177.3052 66 L 4.0229 8.2682 123.5275 57.0319 42.3976 177.8773 67 Q 4.6491 7.9550 119.4749 54.5157 28.3118 175.2218 68 L 4.3382 8.1560 117.9487 53.7755 42.6362 175.9862 69 P 4.1197 0.0000 0.0000 63.5860 31.5778 173.7491 70 S 3.5870 7.4788 119.6739 57.8448 60.6231 172.7341 71 G 3.9063 8.1566 117.0155 44.5427 0.0000 171.0856 72 P 4.5821 0.0000 0.0000 62.7264 29.1177 174.9996 73 T 4.3449 7.9026 120.5841 61.8050 69.5639 173.9841 74 T 3.5891 8.7858 110.4498 62.5330 68.1842 171.6135 75 G 3.7181 8.2899 103.5153 48.7880 0.0000 173.8426 76 D 4.3857 8.7153 110.9536 55.3178 39.6223 174.2634 77 K 3.6539 8.5210 111.9253 57.0838 31.4847 174.9970 78 S 3.6576 8.1369 109.9652 59.1547 60.7779 170.7087 79 S 4.1149 8.9788 118.7476 60.5929 62.8710 173.6189 80 E 3.7181 8.1156 118.2548 56.2355 25.8298 172.3461 81 P 4.5425 0.0000 0.0000 62.7770 31.9624 175.8792 82 S 4.6350 7.7372 112.6777 59.3376 67.7790 175.1209 83 T 4.7436 7.3688 118.3735 63.3933 70.0566 175.9423 84 L 3.9703 8.4363 124.4648 57.4537 42.3963 176.9176 85 S 4.5456 7.5432 110.3668 59.0368 65.1532 173.6741 86 N 4.7755 8.8110 124.4604 53.9005 45.7800 174.9299 87 E 4.7023 7.7051 115.3389 55.5523 31.9923 171.9540 88 E 4.8019 7.5319 124.6326 55.3460 37.4300 174.7593 89 Y 4.0730 7.9978 115.6465 58.2690 42.0208 174.0698 90 M 3.5180 8.8028 125.6493 56.0425 32.1886 176.5373 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 23 G 8.35 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 0.00 0.00 0.00 24 A 7.62 4.40 1.22 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 0.00 0.00 0.00 25 G 9.91 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 0.00 0.00 0.00 26 E 8.01 4.61 0.00 1.90 1.84 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 2.20 2.22 0.00 27 P 0.00 4.50 0.00 2.17 2.09 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 28 T 7.92 4.37 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 1.21 0.00 0.00 29 T 8.00 4.32 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 1.21 0.00 0.00 30 L 8.43 3.88 0.00 1.78 1.69 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.91 3.92 0.00 1.75 1.65 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.10 3.92 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.50 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 33 R 7.87 3.96 0.00 2.08 2.00 0.00 3.21 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 34 L 8.09 4.68 0.00 1.94 1.70 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.20 4.01 0.00 1.87 2.13 0.00 3.25 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 36 G 7.90 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 0.00 0.00 0.00 37 T 7.19 4.16 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 1.21 0.00 0.00 38 I 8.49 3.87 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.40 0.91 0.00 0.00 39 S 8.39 4.55 0.00 3.88 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 40 K 8.74 3.89 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.52 7.81 41 A 7.94 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.48 2.23 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 0.97 0.00 0.00 0.93 0.00 0.00 43 Q 7.95 3.94 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.51 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 44 N 8.39 4.21 0.00 2.85 2.83 0.00 0.00 7.31 6.40 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 45 K 8.43 3.87 0.00 2.01 1.85 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.60 7.81 46 V 7.74 3.54 2.23 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 1.06 0.00 0.00 0.95 0.00 0.00 47 E 8.27 4.07 0.00 2.09 1.91 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 2.28 2.30 0.00 48 G 8.05 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.75 3.70 1.84 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.76 0.88 0.00 0.00 50 L 7.80 3.89 0.00 1.95 1.69 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 Q 8.00 3.89 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 52 D 7.57 4.18 0.00 2.83 2.70 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 53 V 7.48 3.12 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 0.93 0.00 0.00 0.92 0.00 0.00 54 Q 7.45 4.30 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 55 K 7.07 3.88 0.00 1.41 1.76 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.38 7.81 56 F 6.33 5.04 0.00 3.08 3.09 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 0.00 0.00 0.00 0.00 57 S 8.83 4.19 0.00 3.96 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 58 D 8.81 4.66 0.00 2.76 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 59 N 8.08 4.42 0.00 2.89 2.97 0.00 0.00 6.83 8.13 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 60 D 8.06 4.43 0.00 2.79 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 61 K 7.88 4.08 0.00 2.22 1.93 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.59 7.81 62 L 7.95 3.94 0.00 1.95 1.90 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 8.16 3.92 0.00 3.10 2.99 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 64 L 8.17 4.02 0.00 2.06 1.75 0.91 0.83 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 65 Y 8.53 4.20 0.00 3.28 2.88 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 66 L 8.27 4.02 0.00 1.67 1.70 0.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 7.95 4.65 0.00 1.97 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.04 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 68 L 8.16 4.34 0.00 1.81 1.48 0.58 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.12 0.00 2.20 2.15 0.00 3.89 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 1.94 1.95 0.00 70 S 7.48 3.59 0.00 4.14 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 71 G 8.16 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 0.00 0.00 0.00 72 P 0.00 4.58 0.00 2.18 2.09 0.00 3.70 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 73 T 7.90 4.34 4.23 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 1.20 0.00 0.00 74 T 8.79 3.59 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 1.21 0.00 0.00 75 G 8.29 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 76 D 8.72 4.39 0.00 2.83 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 77 K 8.52 3.65 0.00 1.88 1.85 0.00 1.78 0.00 0.00 1.48 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.31 7.81 78 S 8.14 3.66 0.00 4.04 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 79 S 8.98 4.11 0.00 3.95 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 80 E 8.12 3.72 0.00 2.12 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 2.22 2.27 0.00 81 P 0.00 4.54 0.00 2.18 2.06 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 82 S 7.74 4.63 0.00 3.82 3.76 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 83 T 7.37 4.74 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 1.22 0.00 0.00 84 L 8.44 3.97 0.00 1.61 1.69 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.54 4.55 0.00 3.84 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 86 N 8.81 4.78 0.00 2.63 2.78 0.00 0.00 6.87 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 87 E 7.71 4.70 0.00 1.87 1.76 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 2.17 2.30 0.00 88 E 7.53 4.80 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 2.21 2.27 0.00 89 Y 8.00 4.07 0.00 2.88 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 90 M 8.80 3.52 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.75 0.00