NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.2692 8.4093 118.0525 52.4361 40.1775 175.0388 2 P 3.1292 0.0000 0.0000 60.2868 30.8861 173.8218 3 E 4.1015 7.8603 118.9996 59.8607 31.4598 178.9430 4 D 4.5279 7.1794 117.0365 54.9558 41.7870 175.9236 5 W 5.1897 6.9871 119.2704 56.0096 31.3964 170.5864 6 F 4.7569 10.1579 128.2905 58.2794 39.9522 175.7878 7 T 4.0749 7.7490 117.4062 59.0449 68.6875 172.4955 8 P 4.2815 0.0000 0.0000 63.8064 31.6085 176.9746 9 D 4.5678 7.5411 118.0805 55.7150 41.5540 176.1139 10 T 4.6400 7.2842 114.0980 60.3347 67.5609 171.9931 11 C 4.6966 7.6492 117.4952 55.1285 46.8777 173.0910 12 A 3.8774 8.1897 127.1369 55.0677 18.1398 178.0976 13 Y 4.6031 7.1228 112.7204 57.7153 38.7191 175.6023 14 G 4.1556 8.8997 112.0192 45.4215 0.0000 172.8347 15 D 5.1728 7.9519 119.8112 52.2586 43.8137 177.3558 16 S 2.0000 8.2434 118.7067 60.8362 62.8021 176.2522 17 N 4.2853 7.7700 119.3035 56.1994 38.0543 176.8740 18 T 3.4818 7.7155 113.5365 65.3670 67.3824 175.7480 19 A 3.6655 7.6056 122.4490 54.6444 18.4151 179.1149 20 W 4.3828 8.4758 126.1991 61.1197 30.6568 178.1242 21 T 4.3000 8.5627 116.0252 66.6827 68.1027 176.5405 22 T 3.8966 8.6821 116.7805 66.2472 68.3796 175.5963 23 C 4.5148 8.0363 118.5819 59.1300 35.8250 174.9226 24 T 4.2922 8.3516 113.0753 60.7420 67.1574 173.7283 25 T 4.8989 6.7771 109.0098 59.6852 72.5968 171.7813 26 P 4.4529 0.0000 0.0000 62.8256 32.1870 176.0001 27 G 4.0470 8.0546 111.7010 45.9889 0.0000 171.9789 28 Q 4.3135 8.9982 117.4609 57.3575 30.3105 176.5859 29 T 4.7113 7.4277 107.1650 61.0634 68.5243 176.2294 30 C 4.2374 8.2084 124.1547 60.6154 44.3124 173.9191 31 Y 4.0797 7.9128 117.1346 58.7115 39.1011 176.4725 32 T 4.3175 7.7977 116.1020 66.3537 68.7369 175.6171 33 C 4.3297 8.1925 116.6117 58.7827 37.0837 175.2199 34 C 3.9469 7.6357 115.8335 59.7632 39.5756 175.2636 35 S 5.0185 7.4304 112.6622 58.5075 62.0260 174.0783 36 S 4.6650 8.7006 113.8628 58.9446 63.6734 173.2900 37 C 4.8228 8.0840 113.2205 56.2451 42.1332 173.1530 38 F 5.1566 7.7654 117.4423 57.2555 41.9405 171.7675 39 D 4.7122 8.3395 120.5012 54.4803 42.9363 176.5985 40 V 4.2259 7.6581 114.0784 62.8664 34.3415 178.6106 41 V 3.2446 7.8188 119.8980 65.2103 31.3747 178.0010 42 G 3.3577 7.9308 104.9719 47.4969 0.0000 175.1241 43 E 3.8116 7.8756 121.1522 59.0291 29.5125 178.6725 44 Q 4.3155 8.4542 118.9618 58.3696 28.4053 178.0576 45 A 3.7249 8.1451 123.4454 54.4724 18.5236 178.3658 46 C 3.0035 7.3495 116.4301 58.3816 37.7424 175.6296 47 Q 4.1905 7.9398 120.3710 59.4514 28.1275 178.7188 48 M 4.1134 7.2915 118.0932 58.2294 32.0792 178.6521 49 S 4.4251 7.6271 112.2780 60.1934 62.7757 174.0081 50 A 3.8162 8.1035 125.9074 53.2004 18.5406 178.3678 51 Q 4.5957 8.4916 126.3660 56.0716 28.5586 175.0100 52 C 4.6092 7.8426 116.4595 55.5548 42.9077 174.1808 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 N 8.41 4.27 0.00 2.42 2.53 0.00 0.00 6.82 7.00 0.00 0.00 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 P 0.00 3.13 0.00 2.67 2.85 0.00 3.45 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.20 0.00 3 E 7.86 4.10 0.00 1.98 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 1.91 2.14 0.00 4 D 7.18 4.53 0.00 2.66 2.83 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 0.00 0.00 0.00 5 W 6.99 5.19 0.00 3.72 3.12 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 6 F 10.16 4.76 0.00 3.60 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 7 T 7.75 4.07 4.10 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 1.22 0.00 0.00 8 P 0.00 4.28 0.00 2.14 2.19 0.00 3.40 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 9 D 7.54 4.57 0.00 2.60 2.69 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 10 T 7.28 4.64 4.18 0.00 0.00 0.00 0.00 0.00 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 11 C 7.65 4.70 0.00 2.99 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 12 A 8.19 3.88 0.77 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 0.00 0.00 0.00 0.00 0.00 13 Y 7.12 4.60 0.00 3.15 2.87 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 0.00 0.00 0.00 14 G 8.90 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.95 5.17 0.00 2.68 2.50 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 16 S 8.24 2.00 0.00 3.64 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.77 4.29 0.00 2.70 2.72 0.00 0.00 6.71 6.96 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 18 T 7.72 3.48 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 1.19 0.00 0.00 19 A 7.61 3.67 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 W 8.48 4.38 0.00 3.85 3.30 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 21 T 8.56 4.30 4.48 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 1.20 0.00 0.00 22 T 8.68 3.90 3.83 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 0.00 0.00 0.95 0.00 0.00 23 C 8.04 4.51 0.00 3.18 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 24 T 8.35 4.29 4.30 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 1.07 0.00 0.00 25 T 6.78 4.90 4.25 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 1.25 0.00 0.00 26 P 0.00 4.45 0.00 2.21 2.12 0.00 3.81 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 27 G 8.05 4.05 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 0.00 0.00 0.00 28 Q 9.00 4.31 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 7.44 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 29 T 7.43 4.71 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 30 C 8.21 4.24 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 31 Y 7.91 4.08 0.00 2.96 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 32 T 7.80 4.32 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 1.25 0.00 0.00 33 C 8.19 4.33 0.00 3.24 3.51 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 34 C 7.64 3.95 0.00 2.81 3.31 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 35 S 7.43 5.02 0.00 3.87 4.05 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 36 S 8.70 4.67 0.00 3.82 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 37 C 8.08 4.82 0.00 2.84 2.20 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.77 5.16 0.00 3.22 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 39 D 8.34 4.71 0.00 2.72 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 40 V 7.66 4.23 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 0.79 0.00 0.00 0.90 0.00 0.00 41 V 7.82 3.24 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 -0.03 0.00 0.00 0.86 0.00 0.00 42 G 7.93 3.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 7.88 3.81 0.00 2.11 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 2.17 2.51 0.00 44 Q 8.45 4.32 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.39 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 45 A 8.15 3.72 1.03 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 46 C 7.35 3.00 0.00 1.56 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 7.94 4.19 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.62 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 48 M 7.29 4.11 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 49 S 7.63 4.43 0.00 4.24 3.64 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 0.00 0.00 0.00 50 A 8.10 3.82 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 51 Q 8.49 4.60 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 52 C 7.84 4.61 0.00 3.06 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