NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1557 8.3149 121.7740 56.1355 33.1307 174.7646 2 E 4.0686 7.6491 119.2035 53.8797 32.2759 175.8772 3 G 2.0640 6.8309 106.6834 45.6206 0.0000 170.1490 4 Y 4.9028 7.3518 118.0379 56.6884 38.8606 175.9128 5 L 4.6576 8.5528 125.1545 55.9991 41.5066 176.4981 6 V 4.8269 8.0619 117.6467 59.8299 34.9178 174.7353 7 D 4.6286 8.6710 121.7358 54.1276 41.1722 177.2384 8 K 4.2137 8.6935 126.0935 58.1819 31.8965 177.1890 9 N 4.5555 7.9503 117.5381 54.1917 38.9982 175.7769 10 T 4.1636 8.1912 110.2981 61.6232 70.5056 175.2267 11 G 3.9166 7.7807 110.4781 46.8862 0.0000 172.8958 12 C 5.1400 7.9482 115.2151 55.2802 42.5760 174.5807 13 K 3.4109 8.2332 120.6905 57.1795 32.6650 175.6270 14 Y 4.2056 8.4415 124.2701 56.6413 39.9699 173.5607 15 E 4.7443 8.3625 128.4733 54.8551 30.5012 174.2896 16 C 4.9626 8.4535 120.4441 53.6695 44.7423 172.8653 17 L 4.7079 8.0543 123.3756 54.0249 41.4319 176.8335 18 K 3.8832 8.8637 123.3931 57.6004 32.5008 176.9664 19 L 4.0409 8.0540 126.2876 57.0751 41.0995 175.5749 20 G 4.1713 8.9068 112.8880 46.2785 0.0000 174.2641 21 D 4.5074 7.3323 122.7262 53.9034 39.4914 176.4321 22 N 4.8726 8.3232 126.5282 53.5367 39.0035 175.7927 23 D 4.5483 7.6011 120.5076 57.5826 42.6645 176.3510 24 Y 4.2327 7.1904 116.6522 60.9367 37.9905 178.2982 25 C 4.2862 8.4005 119.0748 59.7739 44.5036 174.9062 26 L 3.9009 8.0080 121.0951 58.4933 41.6090 178.8039 27 R 3.9546 8.2655 117.7393 59.4853 29.2367 178.9801 28 E 4.0741 8.7084 118.4322 59.8591 29.6034 178.9512 29 C 4.6169 8.4001 116.3239 59.3850 38.3873 176.1737 30 K 4.1374 8.2062 123.1356 58.4211 32.1979 178.6684 31 Q 5.0551 7.8927 117.0865 54.6002 28.9598 175.2532 32 Q 4.7445 7.6114 118.2488 57.2087 36.0894 174.7466 33 Y 4.6900 7.8346 118.1301 57.2654 38.7559 175.4443 34 G 4.2200 7.7304 105.2060 44.7651 0.0000 175.2516 35 K 4.6340 8.4662 122.6972 53.9765 30.3500 177.1846 36 G 4.0795 7.3170 101.1066 45.1407 0.0000 171.4564 37 A 4.6541 8.1418 122.7095 50.4463 21.6016 176.3438 38 G 3.9562 7.1502 106.5185 44.6007 0.0000 172.5410 39 G 3.6968 7.8417 107.2616 46.1569 0.0000 170.6839 40 Y 4.8060 7.2517 116.6763 56.4066 42.1176 173.1446 41 C 5.0748 8.8331 117.0089 56.1621 36.2571 173.6993 42 Y 4.4609 9.0619 123.8569 56.7914 40.5117 174.1775 43 A 3.8310 9.1432 122.7167 53.9936 17.1262 177.4273 44 F 4.0449 8.0343 123.4147 56.6715 36.9787 176.1552 45 A 4.6604 7.9676 120.2348 51.3799 22.6346 175.3155 46 C 5.1851 8.7090 123.8716 55.0912 43.9211 172.1876 47 W 4.4466 9.0104 135.0000 56.8870 31.4730 174.2417 48 C 5.0317 8.3237 125.1005 55.1118 42.6215 174.2156 49 T 4.7901 7.7308 115.5653 59.5049 67.0036 172.4855 50 H 4.5441 8.2328 116.3034 55.9735 33.0730 173.1197 51 L 4.1816 8.2389 116.4998 52.2565 44.7393 174.7620 52 Y 4.7284 6.0237 117.4643 54.7863 40.4325 176.0378 53 E 3.9259 8.8858 119.6316 59.2123 29.6230 176.6891 54 Q 4.5562 8.2830 116.0326 55.9661 29.3046 174.7657 55 A 4.7872 7.9978 121.9492 50.5189 20.3174 177.6829 56 I 4.3510 8.6507 124.9995 60.2329 38.6523 175.6486 57 V 4.7146 7.7997 121.8788 59.2020 33.8904 175.2121 58 W 4.4352 9.2768 133.5106 57.4627 31.4097 174.8244 59 P 3.7468 0.0000 0.0000 61.6885 32.6394 175.8020 60 L 4.1863 8.1785 118.9300 54.4284 42.3457 175.7512 61 P 4.2433 0.0000 0.0000 65.7380 31.5158 177.1708 62 N 4.7542 7.7106 113.3494 51.4619 38.1401 175.2349 63 K 4.4531 7.1211 113.1269 56.6586 33.3961 174.3090 64 R 3.9823 7.6314 119.3749 56.2222 30.6764 177.9770 65 C 4.5892 8.8654 115.4277 56.5157 39.7258 174.3101 66 S 4.3220 8.5614 118.7591 58.4640 62.7560 174.2297 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 K 8.31 4.16 0.00 1.68 1.86 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.42 7.81 2 E 7.65 4.07 0.00 2.05 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 2.21 2.32 0.00 3 G 6.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 7.35 4.90 0.00 3.03 2.89 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 5 L 8.55 4.66 0.00 1.78 1.59 0.20 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.06 4.83 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 0.84 0.00 0.00 1.15 0.00 0.00 7 D 8.67 4.63 0.00 2.91 2.92 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 8 K 8.69 4.21 0.00 1.78 1.84 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.32 7.81 9 N 7.95 4.56 0.00 2.92 2.73 0.00 0.00 6.96 8.35 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 10 T 8.19 4.16 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 1.23 0.00 0.00 11 G 7.78 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 12 C 7.95 5.14 0.00 2.95 3.02 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 0.00 0.00 0.00 0.00 13 K 8.23 3.41 0.00 1.02 0.74 0.00 1.16 0.00 0.00 1.40 0.00 0.00 2.71 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.01 1.16 7.81 14 Y 8.44 4.21 0.00 3.19 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.36 4.74 0.00 1.85 1.70 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 2.22 2.51 0.00 16 C 8.45 4.96 0.00 3.34 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.05 4.71 0.00 1.46 1.41 -0.07 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.86 3.88 0.00 1.86 1.99 0.00 1.76 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.52 7.81 19 L 8.05 4.04 0.00 1.64 1.26 0.85 0.14 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 20 G 8.91 4.17 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 0.00 0.00 0.00 21 D 7.33 4.51 0.00 2.99 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 22 N 8.32 4.87 0.00 3.12 2.98 0.00 0.00 6.10 8.04 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 23 D 7.60 4.55 0.00 2.50 1.90 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 24 Y 7.19 4.23 0.00 3.13 2.98 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 25 C 8.40 4.29 0.00 3.12 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 26 L 8.01 3.90 0.00 1.94 1.66 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.27 3.95 0.00 2.19 2.06 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 28 E 8.71 4.07 0.00 2.33 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 0.00 2.51 2.64 0.00 29 C 8.40 4.62 0.00 3.11 3.10 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 0.00 0.00 0.00 0.00 30 K 8.21 4.14 0.00 2.13 1.90 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.42 7.81 31 Q 7.89 5.06 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.46 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 32 Q 7.61 4.74 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.68 0.00 0.00 0.00 0.00 0.00 2.48 2.18 0.00 33 Y 7.83 4.69 0.00 2.95 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 34 G 7.73 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 35 K 8.47 4.63 0.00 1.79 1.83 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.47 7.81 36 G 7.32 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.14 4.65 1.27 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 0.00 0.00 0.00 38 G 7.15 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 0.00 0.00 0.00 39 G 7.84 3.70 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 0.00 0.00 0.00 40 Y 7.25 4.81 0.00 2.91 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 C 8.83 5.07 0.00 3.04 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 42 Y 9.06 4.46 0.00 3.45 3.02 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 0.00 0.00 0.00 0.00 43 A 9.14 3.83 1.27 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 0.00 0.00 0.00 44 F 8.03 4.04 0.00 3.16 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 45 A 7.97 4.66 1.13 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 46 C 8.71 5.19 0.00 3.24 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 47 W 9.01 4.45 0.00 3.44 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 48 C 8.32 5.03 0.00 2.53 2.72 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 49 T 7.73 4.79 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 50 H 8.23 4.54 0.00 2.99 3.14 0.00 5.94 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.24 4.18 0.00 1.30 0.74 0.45 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 6.02 4.73 0.00 3.14 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 53 E 8.89 3.93 0.00 1.98 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 0.00 2.32 2.36 0.00 54 Q 8.28 4.56 0.00 2.27 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.50 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 55 A 8.00 4.79 0.50 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 56 I 8.65 4.35 1.95 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 1.38 0.68 0.93 0.00 0.00 57 V 7.80 4.71 1.88 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 0.55 0.00 0.00 1.00 0.00 0.00 58 W 9.28 4.44 0.00 3.33 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 59 P 0.00 3.75 0.00 1.49 0.49 0.00 3.29 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.52 0.00 60 L 8.18 4.19 0.00 1.77 1.60 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.24 0.00 2.13 2.12 0.00 3.70 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 1.95 1.91 0.00 62 N 7.71 4.75 0.00 2.82 2.92 0.00 0.00 5.85 7.13 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 63 K 7.12 4.45 0.00 1.82 1.80 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.22 1.33 7.81 64 R 7.63 3.98 0.00 1.78 1.92 0.00 2.93 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 65 C 8.87 4.59 0.00 3.36 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 66 S 8.56 4.32 0.00 3.99 3.86 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