NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4275 8.3044 120.3496 55.8700 32.2856 174.1012 2 D 4.3934 8.0474 123.0492 53.0134 44.1004 174.0523 3 Q 4.4414 9.1627 125.7766 52.8311 31.0458 172.4893 4 P 4.5608 0.0000 0.0000 63.0725 33.1303 174.4432 5 C 5.5898 8.5188 117.6954 58.5538 33.3710 172.2297 6 C 5.5051 8.6930 114.4347 57.2117 33.6248 172.8459 7 R 5.3889 7.9418 114.0719 53.5037 32.6519 174.8358 8 G 4.1538 8.6238 110.4732 46.4478 0.0000 174.2627 9 L 4.2048 8.5862 124.1618 56.4227 42.4515 177.1350 10 Y 4.9089 7.8943 114.3232 55.7404 41.5578 174.7001 11 D 4.8291 8.7134 122.4637 53.7547 41.0431 175.3480 12 F 4.2490 8.5220 118.8877 57.2131 43.4776 172.3454 13 E 4.6328 8.4548 125.2322 54.2973 30.8068 174.4383 14 P 4.3902 0.0000 0.0000 62.9314 31.8830 175.8437 15 E 4.5982 8.6980 119.2597 55.1878 32.0085 174.9818 16 N 4.9895 7.7821 117.4079 51.0522 41.2084 173.5231 17 Q 4.1647 8.5486 124.5220 57.5501 29.7074 175.7758 18 G 4.1909 9.1054 109.8062 45.4975 0.0000 173.2345 19 E 3.3215 7.4070 119.3048 55.1463 30.8282 175.5183 20 L 4.7007 7.6909 124.3286 53.1022 43.9359 176.0633 21 G 4.1245 8.6640 113.5763 45.6892 0.0000 172.2726 22 F 4.8694 7.5311 115.8910 56.6292 42.0218 172.4116 23 K 5.1740 7.9944 117.7273 54.7593 35.1616 174.2401 24 E 4.4189 8.7033 117.2337 58.1121 29.7747 177.0954 25 G 3.8959 8.6164 112.2857 44.7578 0.0000 172.6493 26 D 4.4534 7.9563 120.7285 54.3017 42.2437 174.8619 27 I 4.7427 8.3111 127.1895 60.2308 38.4754 175.0873 28 I 4.4277 8.1853 128.2303 59.4889 40.2315 174.9344 29 T 4.6434 8.2241 116.8499 60.4002 69.9941 173.6076 30 L 5.0610 8.2268 127.1954 54.8584 42.2530 176.6602 31 T 4.4469 8.1769 112.6879 62.8512 69.7404 171.5243 32 N 5.0980 8.3287 117.0082 52.4448 43.1990 173.4516 33 Q 4.4992 8.0971 114.8282 56.2353 32.2083 174.0271 34 I 4.1620 8.3336 121.5485 62.7883 38.4944 175.1574 35 D 4.2874 6.9332 115.3768 53.0847 41.9536 175.0140 36 E 4.1258 8.5818 117.4583 58.4677 29.8513 177.3120 37 N 4.6825 7.9578 117.1598 54.1600 39.9986 174.7220 38 W 5.1911 6.8807 114.4139 55.0390 31.2829 174.7410 39 Y 4.8828 8.3007 121.5376 57.0249 40.3898 173.8592 40 E 5.1215 8.1614 117.4475 55.7664 34.4058 175.8546 41 G 4.7101 8.8835 107.8288 46.6828 0.0000 171.8394 42 M 5.5866 8.7661 118.2497 53.9077 37.2535 174.8304 43 I 4.4449 8.4493 120.6619 60.5858 40.2818 172.4465 44 H 4.3054 9.1224 129.5004 56.1259 29.3815 175.6520 45 G 4.2230 7.5470 107.7720 44.6246 0.0000 172.0388 46 E 4.8290 8.3383 117.6170 54.5999 34.2463 174.9877 47 S 5.2818 8.6767 118.1113 56.8072 66.1344 173.2284 48 G 4.5141 8.1169 108.8694 47.5789 0.0000 171.6141 49 F 5.7012 7.7947 114.6538 55.5619 41.0293 175.6346 50 F 4.9882 8.9480 116.8718 55.2177 39.7444 171.5811 51 P 4.8429 0.0000 0.0000 63.4501 31.8033 177.6636 52 I 3.5792 8.5370 122.1421 64.4835 37.2023 177.6848 53 N 4.7602 7.8000 115.0296 54.1195 38.1013 174.8870 54 Y 4.9702 8.3376 114.4877 57.5122 40.8811 174.9575 55 V 5.1162 7.8464 110.7473 59.8024 36.8294 174.4503 56 E 4.4392 9.0479 121.5327 54.1390 31.9090 174.4942 57 V 3.9236 8.3813 127.2905 63.4128 31.5310 175.8515 58 I 3.7069 8.7808 130.0677 63.9032 37.1185 176.6824 59 V 4.1533 7.4469 121.7332 60.2002 31.5316 173.5049 60 P 4.4602 0.0000 0.0000 63.0370 31.1303 176.5542 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 M 8.30 4.43 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 2 D 8.05 4.39 0.00 2.70 2.48 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 3 Q 9.16 4.44 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 4 P 0.00 4.56 0.00 2.14 2.26 0.00 3.58 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.29 0.00 5 C 8.52 5.59 0.00 2.81 2.75 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 6 C 8.69 5.51 0.00 3.02 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 7 R 7.94 5.39 0.00 1.79 1.96 0.00 3.01 0.00 0.00 3.24 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.38 0.00 8 G 8.62 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 9 L 8.59 4.20 0.00 1.40 0.94 0.78 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.89 4.91 0.00 3.11 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 11 D 8.71 4.83 0.00 2.65 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 12 F 8.52 4.25 0.00 2.69 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.45 4.63 0.00 1.93 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 1.98 2.17 0.00 14 P 0.00 4.39 0.00 2.17 2.06 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 15 E 8.70 4.60 0.00 1.93 1.96 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 2.17 2.48 0.00 16 N 7.78 4.99 0.00 2.69 2.64 0.00 0.00 7.24 6.71 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 17 Q 8.55 4.16 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 5.42 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 18 G 9.11 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 0.00 0.00 0.00 19 E 7.41 3.32 0.00 1.51 1.64 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 1.76 1.47 0.00 20 L 7.69 4.70 0.00 1.59 1.64 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.66 4.12 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 0.00 22 F 7.53 4.87 0.00 3.07 3.05 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 0.00 0.00 0.00 23 K 7.99 5.17 0.00 1.98 1.97 0.00 1.45 0.00 0.00 1.90 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.49 7.81 24 E 8.70 4.42 0.00 2.10 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 2.30 2.33 0.00 25 G 8.62 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 0.00 0.00 0.00 26 D 7.96 4.45 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 27 I 8.31 4.74 1.83 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 1.30 0.84 0.91 0.00 0.00 28 I 8.19 4.43 1.16 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.16 0.49 0.00 0.00 29 T 8.22 4.64 4.27 0.00 0.00 0.00 0.00 0.00 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 8.23 5.06 0.00 1.95 2.13 1.16 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.18 4.45 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 1.25 0.00 0.00 32 N 8.33 5.10 0.00 2.67 2.70 0.00 0.00 6.82 7.33 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 33 Q 8.10 4.50 0.00 1.72 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.20 6.06 0.00 0.00 0.00 0.00 0.00 1.34 1.73 0.00 34 I 8.33 4.16 2.27 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 1.67 0.81 1.03 0.00 0.00 35 D 6.93 4.29 0.00 2.41 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 36 E 8.58 4.13 0.00 1.85 1.99 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 2.24 2.22 0.00 37 N 7.96 4.68 0.00 1.44 2.23 0.00 0.00 6.25 7.67 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 38 W 6.88 5.19 0.00 3.60 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.30 4.88 0.00 2.27 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 40 E 8.16 5.12 0.00 1.88 1.86 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 2.72 2.43 0.00 41 G 8.88 4.71 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 0.00 0.00 0.00 42 M 8.77 5.59 0.00 2.06 1.93 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 2.56 2.52 0.00 43 I 8.45 4.44 1.79 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 1.17 1.36 0.91 0.00 0.00 44 H 9.12 4.31 0.00 3.29 3.30 0.00 6.01 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 45 G 7.55 4.22 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 0.00 46 E 8.34 4.83 0.00 1.92 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 2.25 2.32 0.00 47 S 8.68 5.28 0.00 3.79 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 48 G 8.12 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 0.00 0.00 0.00 0.00 49 F 7.79 5.70 0.00 3.39 3.24 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 50 F 8.95 4.99 0.00 3.12 3.23 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 51 P 0.00 4.84 0.00 2.63 2.86 0.00 3.84 0.00 0.00 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.22 0.00 52 I 8.54 3.58 1.84 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 0.64 0.92 0.82 0.00 0.00 53 N 7.80 4.76 0.00 2.60 2.70 0.00 0.00 6.74 7.36 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 54 Y 8.34 4.97 0.00 3.36 3.25 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 0.00 55 V 7.85 5.12 2.10 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 0.60 0.00 0.00 1.19 0.00 0.00 56 E 9.05 4.44 0.00 1.97 1.77 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 2.18 2.21 0.00 57 V 8.38 3.92 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 1.01 0.00 0.00 0.86 0.00 0.00 58 I 8.78 3.71 1.87 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 1.17 0.63 0.91 0.00 0.00 59 V 7.45 4.15 2.10 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 0.80 0.00 0.00 0.94 0.00 0.00 60 P 0.00 4.46 0.00 2.09 1.99 0.00 3.77 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00