NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4880 8.3349 115.3046 57.6870 62.7337 173.1586 8 D 4.6239 8.4149 128.0972 53.0008 41.8950 174.8398 9 F 5.3168 8.3083 115.4630 55.5999 41.9174 173.1235 10 V 4.5037 9.1586 119.4294 61.1103 34.6879 174.1430 11 V 4.8582 8.9064 127.5976 61.4434 33.8624 174.4924 12 I 4.9956 8.8931 127.9417 59.5642 41.0547 174.0547 13 K 5.0526 9.4161 129.3797 54.1069 34.4202 175.1522 14 A 4.4079 8.7903 130.4715 52.5088 19.1224 177.4091 15 L 4.7464 8.8689 121.3356 54.6301 42.9944 175.6643 16 E 4.6386 7.6643 115.5860 55.0249 32.5085 173.9166 17 D 4.4842 8.4169 118.7398 55.3231 41.4589 176.8861 18 G 3.8422 8.1243 111.1184 45.8145 0.0000 173.7340 19 V 3.9415 7.6379 119.3637 62.7333 32.8375 174.4942 20 N 5.4350 8.8795 124.2412 51.4026 41.7383 173.5854 21 V 4.6439 8.7974 123.4283 61.2068 34.1282 174.1014 22 I 4.6801 8.8696 129.4284 59.3476 39.9110 175.0519 23 G 4.1340 8.7582 114.7907 45.4139 0.0000 172.4288 24 L 5.6353 8.7935 124.4840 52.6475 44.6937 176.1028 25 T 4.5781 8.5664 113.8548 61.6959 69.2409 174.4284 26 R 4.2643 7.9773 126.3078 56.7811 31.0739 174.5936 27 G 3.6946 9.0031 108.8037 43.7663 0.0000 173.4026 28 A 4.0945 8.6816 121.2346 54.8963 18.3965 177.9823 29 D 4.7455 7.8180 113.9710 53.5730 42.1632 175.8819 30 T 4.7888 8.3002 119.3642 61.8495 71.0176 173.4281 31 R 4.5341 8.6477 121.8023 54.4746 33.6061 174.3044 32 F 5.2787 8.3730 119.7521 58.1395 38.7892 175.1774 33 H 4.7753 8.8679 119.6098 56.5667 29.8002 174.5669 34 H 4.7044 7.4153 117.5944 55.2596 33.1541 172.2587 35 S 4.8117 8.2301 118.7499 56.4963 64.8790 172.3032 36 E 4.4706 9.4062 129.5457 54.6572 31.1619 174.3970 37 K 4.8521 8.5820 128.3808 55.2844 33.9473 175.2903 38 L 4.9832 8.9713 127.3403 53.1674 44.7480 176.1054 39 D 5.0585 9.4338 124.0086 52.3324 43.3919 175.9004 40 K 3.9497 8.5952 121.3369 58.6544 32.1743 177.1097 41 G 3.9799 9.0654 115.2167 45.1346 0.0000 173.1709 42 E 4.2691 8.0288 120.1713 56.1111 30.7705 175.9137 43 V 4.9421 8.3313 122.6796 60.9742 34.3921 174.2444 44 L 4.7112 9.1881 129.1702 53.3328 44.7766 174.8521 45 I 4.8941 8.5180 127.0270 59.7157 38.8490 174.8701 46 A 4.7014 9.0831 129.4224 50.1480 21.9252 175.2363 47 Q 4.8133 8.6308 120.9612 54.8373 30.6447 175.5947 48 F 4.7191 8.5002 120.5109 57.7312 39.7130 175.2263 49 T 4.7468 8.9033 111.5112 59.8460 71.9873 174.0659 50 E 3.6542 8.9089 121.2911 58.9726 29.6552 176.9558 51 H 4.7328 7.9211 113.9744 55.7414 30.6876 173.7602 52 T 5.3641 8.1891 116.6985 61.9785 70.7373 174.5426 53 S 4.9868 9.1094 120.1585 58.1656 65.2746 173.6327 54 A 5.0483 8.0414 121.6357 50.5592 22.8744 174.7915 55 I 4.9559 8.5694 120.0624 59.3832 40.6427 174.7217 56 K 4.5765 9.0470 128.5809 54.5082 34.6562 174.7431 57 V 4.8379 8.3486 126.3011 61.1426 33.9471 174.5070 58 R 4.5233 9.0102 126.8918 55.4508 32.9045 175.9648 59 G 3.9237 8.9931 109.0784 43.9547 0.0000 172.5558 60 K 4.2823 9.3488 120.7364 56.1165 33.0467 175.6077 61 A 5.0910 8.3869 128.1828 50.7072 23.2015 173.7682 62 Y 4.6803 9.1818 123.6002 56.8568 40.4962 174.2767 63 I 4.9694 7.9215 126.8142 59.4366 40.9253 174.0469 64 Q 4.9698 9.2650 128.5137 54.4990 31.7161 174.3701 65 T 4.6984 8.6431 115.2141 59.6405 72.6111 174.4919 66 R 3.6899 8.6147 121.1848 60.0593 29.7543 176.7367 67 H 4.5166 7.6798 112.0145 55.9751 29.6665 174.3154 68 G 3.8131 7.2711 105.9705 43.9995 0.0000 172.4760 69 V 4.6757 8.1922 121.0241 60.9829 34.4720 176.9687 70 I 4.3272 8.3044 119.6726 59.2199 40.0164 173.6903 71 E 4.4694 8.5554 129.3501 54.4235 30.3789 175.8236 72 S 4.4108 8.5010 122.8748 59.0615 62.5710 174.6527 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 7 S 8.33 4.49 0.00 3.91 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 8 D 8.41 4.62 0.00 2.87 2.79 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 0.00 0.00 0.00 9 F 8.31 5.32 0.00 2.98 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 10 V 9.16 4.50 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 1.05 0.00 0.00 0.83 0.00 0.00 11 V 8.91 4.86 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 1.03 0.00 0.00 1.21 0.00 0.00 12 I 8.89 5.00 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.92 0.00 0.00 13 K 9.42 5.05 0.00 1.83 1.80 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.35 7.81 14 A 8.79 4.41 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.87 4.75 0.00 1.65 1.71 1.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.66 4.64 0.00 2.02 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 2.18 2.33 0.00 17 D 8.42 4.48 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.12 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 19 V 7.64 3.94 2.07 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 0.96 0.00 0.00 0.96 0.00 0.00 20 N 8.88 5.44 0.00 2.62 2.57 0.00 0.00 6.31 7.41 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 21 V 8.80 4.64 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 0.92 0.00 0.00 0.90 0.00 0.00 22 I 8.87 4.68 1.41 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.29 0.14 0.00 0.00 23 G 8.76 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 0.00 0.00 0.00 24 L 8.79 5.64 0.00 1.87 1.69 1.06 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.57 4.58 4.31 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 1.36 0.00 0.00 26 R 7.98 4.26 0.00 1.91 2.00 0.00 3.20 0.00 0.00 3.08 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.45 0.00 27 G 9.00 3.69 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 28 A 8.68 4.09 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 29 D 7.82 4.75 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.79 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 1.26 0.00 0.00 31 R 8.65 4.53 0.00 1.80 1.90 0.00 2.77 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 32 F 8.37 5.28 0.00 2.96 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 33 H 8.87 4.78 0.00 3.28 3.51 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.42 4.70 0.00 3.34 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.23 4.81 0.00 3.73 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 36 E 9.41 4.47 0.00 2.13 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 2.25 2.28 0.00 37 K 8.58 4.85 0.00 1.77 1.66 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.44 7.81 38 L 8.97 4.98 0.00 1.55 1.52 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.43 5.06 0.00 2.55 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 40 K 8.60 3.95 0.00 1.74 1.75 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 41 G 9.07 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 4.27 0.00 2.08 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 2.32 2.32 0.00 43 V 8.33 4.94 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 0.81 0.00 0.00 0.94 0.00 0.00 44 L 9.19 4.71 0.00 1.71 1.46 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.52 4.89 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.65 0.78 0.00 0.00 46 A 9.08 4.70 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 0.00 0.00 0.00 0.00 0.00 47 Q 8.63 4.81 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 48 F 8.50 4.72 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 4.75 4.31 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 1.31 0.00 0.00 50 E 8.91 3.65 0.00 1.94 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 2.11 2.29 0.00 51 H 7.92 4.73 0.00 3.21 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.19 5.36 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 53 S 9.11 4.99 0.00 3.86 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 54 A 8.04 5.05 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 55 I 8.57 4.96 1.86 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.84 0.00 0.00 56 K 9.05 4.58 0.00 1.72 1.42 0.00 1.62 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.33 7.81 57 V 8.35 4.84 2.06 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.01 4.52 0.00 1.72 1.75 0.00 3.05 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 59 G 8.99 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 0.00 0.00 0.00 60 K 9.35 4.28 0.00 2.02 1.72 0.00 1.64 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 61 A 8.39 5.09 1.24 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 62 Y 9.18 4.68 0.00 3.09 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 63 I 7.92 4.97 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.52 0.90 0.00 0.00 64 Q 9.26 4.97 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 65 T 8.64 4.70 4.14 0.00 0.00 0.00 0.00 0.00 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 66 R 8.61 3.69 0.00 1.58 1.82 0.00 3.18 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 67 H 7.68 4.52 0.00 3.20 3.28 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.27 3.81 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 0.00 0.00 0.00 69 V 8.19 4.68 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 0.34 0.00 0.00 0.87 0.00 0.00 70 I 8.30 4.33 1.81 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 1.02 0.46 0.87 0.00 0.00 71 E 8.56 4.47 0.00 2.18 1.98 0.00 0.00 0.00 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 2.49 0.00 72 S 8.50 4.41 0.00 4.05 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