NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3633 8.2644 123.5827 51.5450 20.4662 177.2547 3 K 4.3395 7.4913 110.0323 56.3880 38.0318 172.0614 4 E 4.5106 8.7367 118.4235 54.8321 32.2186 174.6517 5 L 4.5174 7.9840 120.5967 54.1431 43.3728 177.8215 6 R 4.5846 7.9168 116.7618 54.0410 30.2002 174.7240 7 C 4.3864 8.1866 117.5437 56.7803 41.1696 174.5509 8 Q 3.9736 9.0367 121.5461 58.4578 28.6072 177.6645 9 C 4.9254 8.6614 114.9526 55.4209 43.2481 173.2266 10 I 4.1025 8.3908 125.5995 63.0266 37.8173 175.9780 11 K 4.2748 7.8189 119.0257 55.9275 32.8517 176.9818 12 T 4.7671 8.1781 113.9255 60.1987 71.3664 172.9156 13 Y 4.6384 8.1539 121.8607 57.1433 39.7046 175.2635 14 S 4.8919 7.5401 118.5671 57.4860 63.4969 175.2138 15 K 4.1147 7.8465 121.1619 55.2528 33.7992 174.2747 16 P 2.9700 0.0000 0.0000 62.1246 31.7916 176.2883 17 F 5.0188 7.8308 116.9426 55.6669 40.9010 172.7409 18 H 4.8639 9.0932 118.3255 54.0256 32.1113 173.9839 19 P 4.5325 0.0000 0.0000 64.5713 31.4113 178.0171 20 K 3.8830 8.3806 118.7809 58.6640 31.9536 176.4420 21 F 4.9924 8.1157 117.4007 57.1954 39.6239 174.5457 22 I 4.7286 8.4191 121.5670 59.6276 39.3999 175.5975 23 K 4.7003 8.3989 124.1572 56.5791 34.7458 176.3889 24 E 4.7167 7.8281 120.1764 54.3493 33.0738 173.6859 25 L 4.9042 8.6109 127.8990 53.4383 44.9677 175.4369 26 R 4.8175 9.0324 122.6280 54.5986 34.7958 174.4789 27 V 4.6876 8.3230 121.2849 61.4822 34.9865 174.0392 28 I 4.5214 8.3957 128.0904 59.3382 39.7976 175.1327 29 E 4.6458 9.1903 128.2333 54.5810 30.7502 175.9614 30 S 4.5371 8.0883 116.7734 58.6042 63.5069 174.1821 31 G 4.2281 9.1415 110.8779 43.7428 0.0000 170.9207 32 P 4.5456 0.0000 0.0000 64.0684 31.6242 176.1276 33 H 4.8792 8.1867 113.5423 55.4156 30.5784 173.8384 34 C 4.9282 7.9790 120.1326 55.0608 46.3682 173.5508 35 A 4.9228 8.5087 128.8307 51.9560 20.0899 176.3729 36 N 4.7647 7.5732 119.0954 54.3496 43.9150 173.6857 37 T 5.0241 8.6032 119.4015 62.6815 73.4446 172.8680 38 E 4.5850 8.8437 122.8901 54.6445 32.7564 175.0580 39 I 4.1261 8.4060 126.4348 60.3265 37.9041 175.3045 40 I 4.8109 8.3167 128.6159 60.5924 39.2778 175.5245 41 V 4.7069 8.3297 122.2433 60.3974 35.5275 173.7999 42 K 4.8747 9.0227 120.9409 54.4811 34.8530 175.9291 43 L 4.4821 9.0468 126.7006 54.2910 42.2861 178.4304 44 S 4.3998 8.4952 117.9184 61.6914 62.9073 175.5471 45 D 4.3880 8.2801 117.7559 54.5057 39.0373 176.5811 46 G 3.8647 8.7061 108.4445 46.0990 0.0000 173.3009 47 R 4.8134 7.9344 116.9919 53.7081 33.8495 175.0759 48 E 5.0116 8.6838 119.2583 55.0284 31.6890 175.0800 49 L 4.7343 8.2271 124.6925 53.0406 45.7373 174.6151 50 C 5.1795 8.4482 115.5360 55.7459 43.6530 174.3724 51 L 5.0793 8.6958 124.0974 53.3578 43.9993 175.5917 52 D 4.8061 8.1769 119.0294 51.6477 43.0447 174.6334 53 P 4.2714 0.0000 0.0000 64.4575 31.3473 177.1746 54 K 4.0084 8.3491 120.3329 58.1338 32.4358 176.0365 55 E 4.5319 7.6981 119.1510 54.7057 31.2659 176.4540 56 N 4.2438 8.7296 121.8893 56.4534 39.1087 177.1189 57 W 4.2981 8.0723 117.5752 59.3976 28.2356 178.3462 58 V 3.0536 6.2040 119.1669 65.5486 30.6969 177.6622 59 Q 3.9744 7.6348 118.5212 58.1847 28.7143 177.7972 60 R 3.9932 7.6087 119.5098 59.2678 30.4468 178.4170 61 V 3.5296 7.9322 112.1298 64.2061 31.5079 178.9817 62 V 3.6398 7.6405 117.6699 65.9568 31.5085 177.5719 63 E 3.9726 7.9488 118.9362 59.3086 29.2726 179.0619 64 K 3.9635 8.3302 118.6475 59.3285 32.1633 178.7996 65 F 4.1866 7.9263 120.9306 61.5004 39.1328 177.2199 66 L 3.7334 7.9306 118.0885 57.7870 41.4829 179.6532 67 K 3.8996 8.0712 118.3079 59.2649 31.8970 179.3717 68 R 3.8393 7.9880 118.8950 59.1400 29.9101 178.3712 69 A 3.8198 7.7883 119.6323 54.4933 18.2554 178.7930 70 E 4.0160 8.0799 117.8606 59.1127 29.9352 177.9233 71 N 4.4044 7.8617 116.0564 56.4073 39.0449 175.2980 72 S 4.3902 7.7603 120.4063 58.7581 63.0542 173.8422 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 2 A 8.26 4.36 1.31 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 0.00 0.00 3 K 7.49 4.34 0.00 1.68 1.77 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.47 7.81 4 E 8.74 4.51 0.00 1.97 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 2.24 2.37 0.00 5 L 7.98 4.52 0.00 1.61 1.63 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 6 R 7.92 4.58 0.00 1.81 1.84 0.00 3.18 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 7 C 8.19 4.39 0.00 2.95 3.16 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 8 Q 9.04 3.97 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 9 C 8.66 4.93 0.00 3.04 2.97 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 0.00 0.00 0.00 10 I 8.39 4.10 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.54 0.92 0.00 0.00 11 K 7.82 4.27 0.00 1.77 1.77 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.38 7.81 12 T 8.18 4.77 4.35 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 0.00 0.00 0.00 1.36 0.00 0.00 13 Y 8.15 4.64 0.00 3.06 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 14 S 7.54 4.89 0.00 3.92 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 15 K 7.85 4.11 0.00 1.15 1.79 0.00 1.53 0.00 0.00 1.63 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.25 7.81 16 P 0.00 2.97 0.00 1.61 0.99 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.85 0.00 17 F 7.83 5.02 0.00 3.25 3.04 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 0.00 0.00 0.00 18 H 9.09 4.86 0.00 3.30 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.53 0.00 2.27 2.25 0.00 3.39 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 20 K 8.38 3.88 0.00 1.31 0.86 0.00 1.37 0.00 0.00 1.17 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.55 1.13 7.81 21 F 8.12 4.99 0.00 3.18 2.97 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 0.00 0.00 0.00 22 I 8.42 4.73 1.96 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.09 0.25 0.00 0.00 23 K 8.40 4.70 0.00 1.57 1.87 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.53 7.81 24 E 7.83 4.72 0.00 2.00 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 2.24 2.31 0.00 25 L 8.61 4.90 0.00 1.31 1.60 0.75 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 R 9.03 4.82 0.00 1.73 1.73 0.00 3.11 0.00 0.00 3.08 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 27 V 8.32 4.69 2.09 0.00 0.00 0.00 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 0.95 0.00 0.00 28 I 8.40 4.52 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.12 1.03 0.00 0.00 29 E 9.19 4.65 0.00 1.99 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 2.29 2.15 0.00 30 S 8.09 4.54 0.00 3.96 3.94 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.14 4.23 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 0.00 32 P 0.00 4.55 0.00 2.19 2.19 0.00 3.51 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 33 H 8.19 4.88 0.00 3.50 3.51 0.00 5.41 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 34 C 7.98 4.93 0.00 2.33 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 35 A 8.51 4.92 1.25 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 0.00 0.00 36 N 7.57 4.76 0.00 2.66 2.53 0.00 0.00 6.75 7.04 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 37 T 8.60 5.02 4.23 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 1.20 0.00 0.00 38 E 8.84 4.59 0.00 2.04 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 2.17 2.44 0.00 39 I 8.41 4.13 1.85 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 1.33 0.77 0.97 0.00 0.00 40 I 8.32 4.81 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.97 0.00 0.00 41 V 8.33 4.71 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 0.77 0.00 0.00 0.89 0.00 0.00 42 K 9.02 4.87 0.00 1.65 1.70 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.50 7.81 43 L 9.05 4.48 0.00 1.58 1.75 0.73 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.50 4.40 0.00 3.89 4.09 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.28 4.39 0.00 2.76 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 46 G 8.71 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 0.00 0.00 0.00 47 R 7.93 4.81 0.00 1.86 1.74 0.00 3.02 0.00 0.00 3.31 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 48 E 8.68 5.01 0.00 1.90 1.91 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 2.13 2.22 0.00 49 L 8.23 4.73 0.00 1.44 1.46 0.78 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 50 C 8.45 5.18 0.00 2.87 2.97 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 0.00 0.00 0.00 51 L 8.70 5.08 0.00 1.54 1.60 1.12 1.07 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 D 8.18 4.81 0.00 2.64 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.15 2.10 0.00 3.78 0.00 0.00 3.53 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 54 K 8.35 4.01 0.00 1.74 1.88 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.39 7.81 55 E 7.70 4.53 0.00 1.16 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 2.22 2.21 0.00 56 N 8.73 4.24 0.00 2.83 2.86 0.00 0.00 7.02 7.98 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 57 W 8.07 4.30 0.00 3.62 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 58 V 6.20 3.05 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 -0.60 0.00 0.00 59 Q 7.63 3.97 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.47 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 60 R 7.61 3.99 0.00 1.95 2.02 0.00 3.28 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 61 V 7.93 3.53 1.75 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 0.92 0.00 0.00 0.93 0.00 0.00 62 V 7.64 3.64 2.18 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 0.99 0.00 0.00 0.91 0.00 0.00 63 E 7.95 3.97 0.00 2.23 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 2.41 0.00 64 K 8.33 3.96 0.00 2.07 1.84 0.00 1.69 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.43 7.81 65 F 7.93 4.19 0.00 3.06 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 66 L 7.93 3.73 0.00 1.92 1.66 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.07 3.90 0.00 1.90 1.83 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.62 7.81 68 R 7.99 3.84 0.00 1.98 1.75 0.00 3.11 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 69 A 7.79 3.82 0.79 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 0.00 0.00 70 E 8.08 4.02 0.00 1.96 1.91 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 2.26 2.26 0.00 71 N 7.86 4.40 0.00 2.76 2.84 0.00 0.00 7.26 7.63 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 72 S 7.76 4.39 0.00 3.99 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