NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1549 8.2644 123.5827 50.6267 21.0911 176.2286 2 K 3.6337 8.1214 115.1104 56.5614 30.3213 172.6215 3 T 4.6201 9.1497 111.2470 62.0632 70.5646 174.2151 4 I 3.9803 7.9145 121.5199 62.9945 38.9165 175.1857 5 K 5.0816 7.4876 120.6243 55.6395 35.5740 174.7782 6 I 4.9826 8.6775 119.9878 59.7265 41.3294 173.9569 7 T 4.9446 8.8069 117.6620 60.6175 71.3105 172.9567 8 Q 4.1961 8.5307 123.7442 57.1940 29.3310 175.5716 9 T 3.8514 8.8963 118.8933 64.8222 67.9036 176.2455 10 R 4.3408 8.1393 134.8637 56.2130 32.7041 174.3400 11 S 4.3792 8.1187 115.5118 57.2329 65.2049 173.4765 12 A 4.4410 8.3025 129.4295 51.6823 22.1494 176.9093 13 I 3.0631 8.7834 112.7336 63.1939 32.9466 171.3202 14 G 3.6721 8.4135 119.5232 45.2839 0.0000 170.5130 15 R 4.6988 6.9018 124.4081 53.9734 33.1454 174.0390 16 L 3.9504 8.5160 115.4084 55.1172 42.2625 176.3637 17 P 4.2610 0.0000 0.0000 65.8890 31.6917 178.6244 18 K 4.0640 8.2054 116.4169 60.1830 32.4202 177.2914 19 H 4.1761 8.5801 115.5526 57.2939 28.8236 177.0975 20 K 3.4129 7.8600 121.8288 59.0838 31.9765 177.7590 21 A 4.3599 7.6829 118.7388 52.8790 18.7357 177.8381 22 T 3.9946 6.8944 107.4672 63.3326 69.0400 176.5900 23 L 3.9739 7.1249 123.2792 57.3760 43.1418 179.3333 24 L 3.9236 8.1836 122.5752 58.1201 42.5222 178.9099 25 G 3.9830 7.9052 103.4116 45.9646 0.0000 173.7295 26 L 4.5827 7.7447 115.9211 53.9253 45.5756 176.9767 27 G 4.0322 8.0372 106.6232 45.7173 0.0000 174.5407 28 L 4.7619 7.8821 118.6462 53.4527 40.7838 176.7595 29 R 3.8198 7.6794 119.9885 56.3580 33.2589 177.8596 30 R 3.5006 8.2370 120.1805 57.4445 30.6376 176.9489 31 I 4.3371 8.3594 107.4263 60.1376 38.0501 175.3540 32 G 3.9908 7.4842 107.4833 46.0636 0.0000 173.2536 33 H 4.2511 8.0638 121.3385 55.6284 29.0499 174.7862 34 T 4.2203 8.0397 121.6609 61.8752 68.1268 173.9974 35 V 4.3998 8.4248 126.3892 60.9725 34.3143 174.5779 36 E 4.6619 8.8249 126.2562 56.6592 30.8267 176.0217 37 R 4.7057 8.6302 119.2801 55.2173 34.7999 174.2258 38 E 4.4328 8.5529 118.3118 55.2722 31.7488 176.6853 39 D 4.6904 8.4605 118.4607 54.8687 40.7214 176.1151 40 T 3.9337 7.6944 115.5912 63.0920 68.7111 173.6687 41 P 3.9991 0.0000 0.0000 64.8890 31.1439 178.2601 42 A 4.0837 7.3355 118.8678 54.7482 18.3597 178.9508 43 I 3.8150 8.3312 116.7049 64.5568 38.0424 178.5253 44 R 3.3128 8.3034 113.3025 57.8136 30.7566 178.0859 45 G 3.6231 7.9709 106.7859 46.7580 0.0000 175.1819 46 M 4.1227 7.6295 120.3419 58.2332 32.3326 178.5758 47 I 3.8364 7.6178 119.4239 64.5648 37.2749 177.6385 48 N 4.2477 8.2929 116.5269 56.8458 38.6262 175.9175 49 A 4.1900 7.6461 120.8842 54.5222 18.7260 178.3715 50 V 4.1127 7.4247 106.6409 62.0300 33.2700 181.6964 51 S 3.1514 7.6665 111.6831 59.4627 67.1036 174.0204 52 F 4.2542 8.2291 130.9307 60.2241 40.1679 176.2659 53 M 4.0720 8.2728 119.6662 56.7834 32.1407 175.2538 54 V 4.6841 7.6918 117.8198 61.4526 34.0135 174.2755 55 K 4.7366 8.7716 125.1352 55.1289 35.4156 176.4221 56 V 4.1929 7.7317 114.2990 60.0873 32.6235 176.0750 57 E 4.2013 8.4391 117.8948 57.0771 27.1074 173.8992 58 E 4.0906 7.5760 124.6165 56.5668 29.5864 176.4103 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 A 8.26 4.15 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.12 3.63 0.00 1.88 1.78 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.55 7.81 3 T 9.15 4.62 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 4 I 7.91 3.98 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 1.22 1.26 0.91 0.00 0.00 5 K 7.49 5.08 0.00 1.83 1.60 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.36 7.81 6 I 8.68 4.98 1.86 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 1.10 0.77 0.91 0.00 0.00 7 T 8.81 4.94 4.21 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 1.18 0.00 0.00 8 Q 8.53 4.20 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 9 T 8.90 3.85 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 1.11 0.00 0.00 10 R 8.14 4.34 0.00 1.73 1.83 0.00 3.23 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 11 S 8.12 4.38 0.00 3.79 3.71 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 12 A 8.30 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 13 I 8.78 3.06 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 1.35 0.51 0.91 0.00 0.00 14 G 8.41 3.67 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 0.00 0.00 0.00 15 R 6.90 4.70 0.00 1.63 1.72 0.00 3.28 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 16 L 8.52 3.95 0.00 1.74 1.64 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.26 0.00 2.19 2.16 0.00 3.65 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 18 K 8.21 4.06 0.00 1.97 1.98 0.00 1.62 0.00 0.00 1.93 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.61 7.81 19 H 8.58 4.18 0.00 3.33 3.67 0.00 5.28 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.86 3.41 0.00 1.81 1.77 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.35 7.81 21 A 7.68 4.36 1.26 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 0.00 0.00 0.00 22 T 6.89 3.99 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 23 L 7.12 3.97 0.00 1.72 1.57 1.02 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.18 3.92 0.00 1.68 1.85 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.91 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 26 L 7.74 4.58 0.00 1.80 1.65 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.04 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 0.00 0.00 0.00 28 L 7.88 4.76 0.00 1.62 1.67 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.68 3.82 0.00 1.78 1.77 0.00 3.34 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 30 R 8.24 3.50 0.00 2.03 1.15 0.00 3.05 0.00 0.00 3.28 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 31 I 8.36 4.34 1.86 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 1.34 0.58 0.91 0.00 0.00 32 G 7.48 3.99 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 0.00 0.00 0.00 33 H 8.06 4.25 0.00 3.21 3.41 0.00 5.59 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.04 4.22 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 1.15 0.00 0.00 35 V 8.42 4.40 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 0.94 0.00 0.00 0.94 0.00 0.00 36 E 8.82 4.66 0.00 2.00 1.92 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 2.26 2.33 0.00 37 R 8.63 4.71 0.00 1.74 1.85 0.00 3.31 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 38 E 8.55 4.43 0.00 1.92 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 2.34 2.29 0.00 39 D 8.46 4.69 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 40 T 7.69 3.93 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 41 P 0.00 4.00 0.00 2.15 2.10 0.00 3.61 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 7.34 4.08 1.26 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 0.00 0.00 0.00 43 I 8.33 3.81 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 1.69 1.32 0.91 0.00 0.00 44 R 8.30 3.31 0.00 2.13 2.02 0.00 2.83 0.00 0.00 3.17 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 45 G 7.97 3.62 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 0.00 0.00 0.00 46 M 7.63 4.12 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 47 I 7.62 3.84 1.97 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 1.73 1.20 0.92 0.00 0.00 48 N 8.29 4.25 0.00 2.76 3.03 0.00 0.00 7.27 7.61 0.00 0.00 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 A 7.65 4.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.42 4.11 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 0.88 0.00 0.00 0.95 0.00 0.00 51 S 7.67 3.15 0.00 4.17 4.34 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.23 4.25 0.00 2.89 3.13 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 53 M 8.27 4.07 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.49 0.00 54 V 7.69 4.68 2.17 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 0.94 0.00 0.00 0.93 0.00 0.00 55 K 8.77 4.74 0.00 1.83 1.74 0.00 1.29 0.00 0.00 1.59 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.28 7.81 56 V 7.73 4.19 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 0.85 0.00 0.00 0.98 0.00 0.00 57 E 8.44 4.20 0.00 2.10 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 2.18 2.19 0.00 58 E 7.58 4.09 0.00 1.75 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 2.32 2.25 0.00