NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3405 8.1849 120.9931 54.6450 42.6282 177.1196 5 P 4.2273 0.0000 0.0000 61.8574 31.7763 172.8941 6 E 4.1485 9.4905 123.3681 56.1774 30.9968 176.9664 7 S 3.7526 8.4952 118.6080 57.7806 63.5081 172.7602 8 P 4.4251 0.0000 0.0000 62.6824 31.7057 175.9743 9 K 4.4378 8.8609 121.3251 55.5291 33.4620 177.8954 10 R 4.2076 8.3676 121.5264 55.4244 32.2481 177.5413 11 A 4.2926 8.6595 122.5696 55.8059 18.3175 179.8469 12 E 2.0000 7.6813 116.9054 58.5661 29.5530 178.4314 13 E 3.9142 7.7527 118.8254 59.2603 29.5173 178.6825 14 I 3.6821 7.3043 118.3982 64.0106 37.5118 177.9210 15 W 2.5400 7.7447 128.9806 59.9897 30.3987 177.6876 16 Q 3.2225 8.0708 118.3042 59.1698 27.9273 179.3444 17 Q 3.8751 7.6902 117.6371 58.9787 28.7889 178.9968 18 S 4.2417 7.4488 114.1283 60.3613 63.4174 175.7994 19 V 4.2070 6.7939 113.1826 60.5707 33.0273 177.0717 20 I 3.6973 7.6258 119.5379 64.1366 37.7555 177.5542 21 G 3.7442 8.1168 105.7893 48.1475 0.0000 175.0789 22 D 4.2978 7.9889 120.7735 57.3103 40.8676 178.3835 23 Y 3.9824 8.1435 117.2011 60.9641 37.8648 178.5654 24 L 4.1081 8.4730 120.1131 57.8184 41.5170 179.4622 25 A 4.0253 7.8798 119.6477 55.0579 18.4349 179.5530 26 R 3.7782 8.0361 116.7045 59.2435 29.9790 178.7376 27 F 4.7942 8.3823 116.3254 56.6381 39.7633 176.1278 28 K 3.8154 8.5915 115.9217 57.8434 30.0015 175.1066 29 N 4.1933 8.8417 110.0630 54.4649 36.9669 175.4544 30 D 4.5330 8.1723 119.0986 54.0100 41.2451 176.6790 31 R 3.9903 8.4129 127.6356 59.2194 30.2553 179.2968 32 V 3.6050 7.7532 111.8824 64.0878 31.4817 178.4194 33 K 3.7066 8.0179 119.4594 59.1128 31.9732 178.7194 34 A 4.0453 7.9462 121.0594 55.3456 18.3357 179.6743 35 L 3.8235 7.9617 117.4334 57.5436 41.5516 179.6878 36 K 3.8380 8.1460 119.5171 59.3719 32.1893 178.6385 37 A 4.0143 8.0184 121.2792 55.6083 18.2926 179.5302 38 M 3.8913 7.9442 117.1886 58.2592 31.8967 178.5604 39 E 3.9712 8.3052 119.4826 59.7079 29.9352 178.7076 40 M 4.0676 8.2502 118.7567 58.7485 31.9911 179.0067 41 T 3.8854 8.1167 115.6304 66.4074 68.5385 176.4025 42 W 3.5641 7.8765 128.7926 60.6544 30.7300 177.5178 43 N 4.3464 8.2392 114.8016 55.7821 37.9822 176.1520 44 N 4.4890 7.5431 116.4283 53.9905 39.6591 175.2836 45 M 4.0875 6.9910 120.2425 55.3615 32.6568 176.7793 46 E 4.1312 8.9558 122.9026 55.6162 31.7655 178.2197 47 K 3.7699 8.5304 120.6135 59.7955 31.8450 179.5816 48 K 3.9676 7.9093 117.4247 60.0822 32.4545 178.5475 49 E 4.1701 7.9405 118.3862 58.8171 29.8018 178.6436 50 K 4.2987 7.9194 118.1245 58.2414 32.0461 178.8302 51 L 3.9578 7.8680 121.7591 58.5680 41.9347 178.8362 52 M 3.8526 7.9374 116.0905 58.2612 30.7817 178.3938 53 W 4.4810 7.8454 119.3519 59.4327 29.3489 178.3436 54 I 3.8506 8.3527 120.1920 64.4231 36.5536 178.5272 55 K 3.9662 8.2745 119.2240 59.5149 31.9412 179.4845 56 K 3.9706 8.0868 118.4277 59.4619 31.9585 179.2512 57 A 4.0508 8.5322 121.0478 55.0331 18.1837 179.4290 58 A 3.9582 8.2828 119.4788 55.4962 18.4697 179.5622 59 E 3.9422 8.4346 117.7622 59.3495 29.6252 178.4777 60 D 4.5106 8.2499 118.2549 56.9452 41.2584 177.9122 61 Q 4.0799 8.1816 120.4914 59.1154 28.9374 178.5008 62 K 4.0491 7.9169 119.4953 59.1807 32.0390 179.1213 63 R 3.8946 8.4522 119.5437 59.7085 29.9157 177.5459 64 Y 4.3041 8.4271 119.5116 61.1231 38.7858 178.1867 65 E 3.8207 8.3276 119.0736 59.3477 29.3366 179.4214 66 R 3.8849 8.0191 117.1936 59.6177 30.3039 178.7479 67 E 4.0876 8.1009 116.6128 59.2672 29.4392 179.1810 68 L 3.9812 7.8504 118.9892 56.9993 41.7280 177.8132 69 S 4.4678 7.7389 117.4972 58.4885 63.4163 173.7751 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 4 L 8.18 4.34 0.00 1.78 1.88 0.92 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.23 0.00 2.24 2.26 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 1.93 2.14 0.00 6 E 9.49 4.15 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 2.35 2.31 0.00 7 S 8.50 3.75 0.00 3.74 3.61 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 0.00 0.00 0.00 0.00 8 P 0.00 4.43 0.00 2.04 1.93 0.00 3.21 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.45 0.00 9 K 8.86 4.44 0.00 1.74 1.74 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.37 7.81 10 R 8.37 4.21 0.00 1.77 1.80 0.00 3.13 0.00 0.00 3.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 11 A 8.66 4.29 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.68 2.00 0.00 1.16 1.42 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 1.77 1.47 0.00 13 E 7.75 3.91 0.00 1.93 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 2.29 2.30 0.00 14 I 7.30 3.68 2.24 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.90 1.28 0.00 0.00 15 W 7.74 2.54 0.00 2.08 2.61 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 0.00 0.00 0.00 0.00 16 Q 8.07 3.22 0.00 2.03 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.56 0.00 17 Q 7.69 3.88 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 18 S 7.45 4.24 0.00 4.15 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 19 V 6.79 4.21 2.14 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 0.43 0.00 0.00 -0.20 0.00 0.00 20 I 7.63 3.70 1.82 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 1.39 1.47 0.84 0.00 0.00 21 G 8.12 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.99 4.30 0.00 2.76 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.14 3.98 0.00 3.11 3.22 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 24 L 8.47 4.11 0.00 1.85 1.94 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 25 A 7.88 4.03 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.04 3.78 0.00 1.52 1.05 0.00 2.57 0.00 0.00 2.74 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.58 0.00 27 F 8.38 4.79 0.00 3.13 3.06 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 28 K 8.59 3.82 0.00 1.83 1.85 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.54 7.81 29 N 8.84 4.19 0.00 2.85 2.94 0.00 0.00 6.78 7.92 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 30 D 8.17 4.53 0.00 2.76 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 31 R 8.41 3.99 0.00 1.89 1.94 0.00 3.18 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.88 0.00 32 V 7.75 3.61 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 0.75 0.00 0.00 0.96 0.00 0.00 33 K 8.02 3.71 0.00 1.74 1.75 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.03 7.81 34 A 7.95 4.05 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.96 3.82 0.00 1.80 1.66 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.15 3.84 0.00 1.90 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.45 7.81 37 A 8.02 4.01 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.94 3.89 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.12 0.00 39 E 8.31 3.97 0.00 2.11 2.13 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 2.34 2.38 0.00 40 M 8.25 4.07 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.61 0.00 41 T 8.12 3.89 4.69 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 1.48 0.00 0.00 42 W 7.88 3.56 0.00 2.93 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 43 N 8.24 4.35 0.00 2.93 2.85 0.00 0.00 7.00 7.51 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 44 N 7.54 4.49 0.00 2.68 2.97 0.00 0.00 7.22 7.65 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 45 M 6.99 4.09 0.00 1.60 1.39 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 46 E 8.96 4.13 0.00 1.92 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 2.26 2.27 0.00 47 K 8.53 3.77 0.00 1.70 1.83 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.41 7.81 48 K 7.91 3.97 0.00 1.88 1.92 0.00 1.55 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.51 7.81 49 E 7.94 4.17 0.00 1.93 2.05 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 2.31 2.34 0.00 50 K 7.92 4.30 0.00 1.78 1.77 0.00 1.22 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.30 0.98 7.81 51 L 7.87 3.96 0.00 1.86 1.80 0.92 0.80 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 52 M 7.94 3.85 0.00 1.99 1.84 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.05 0.00 53 W 7.85 4.48 0.00 3.98 3.73 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 54 I 8.35 3.85 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.93 0.97 0.00 0.00 55 K 8.27 3.97 0.00 1.94 1.84 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.65 7.81 56 K 8.09 3.97 0.00 2.16 2.00 0.00 1.66 0.00 0.00 1.78 0.00 0.00 2.55 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.46 1.57 7.81 57 A 8.53 4.05 1.53 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 0.00 0.00 58 A 8.28 3.96 1.43 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 0.00 0.00 0.00 59 E 8.43 3.94 0.00 2.12 2.14 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 2.33 2.39 0.00 60 D 8.25 4.51 0.00 3.01 2.67 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 61 Q 8.18 4.08 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.71 0.00 62 K 7.92 4.05 0.00 1.99 1.87 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.63 7.81 63 R 8.45 3.89 0.00 1.88 2.30 0.00 3.41 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 64 Y 8.43 4.30 0.00 3.09 3.21 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 0.00 65 E 8.33 3.82 0.00 2.22 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 0.00 2.35 2.56 0.00 66 R 8.02 3.88 0.00 1.95 2.00 0.00 3.17 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 67 E 8.10 4.09 0.00 2.05 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 2.35 2.53 0.00 68 L 7.85 3.98 0.00 1.52 1.55 0.31 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.74 4.47 0.00 4.02 3.79 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