NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9366 8.3549 109.7374 45.4362 0.0000 173.8380 2 K 4.2422 7.9916 115.5771 56.1618 31.9888 174.3862 3 E 4.6296 8.8090 116.7735 55.9248 32.7231 176.8931 4 C 5.1448 8.0241 115.9010 55.3408 42.9424 173.1738 5 D 4.4262 9.2484 124.7237 54.4961 41.5347 173.2908 6 C 5.1453 7.6971 111.3199 54.0618 45.0058 173.8410 7 S 4.3425 8.3808 115.7023 60.6797 62.8590 175.7730 8 S 4.4107 7.7913 116.8733 57.4532 63.2101 172.9921 9 P 4.4725 0.0000 0.0000 63.8395 31.5607 176.1360 10 E 4.4659 7.8001 118.3859 55.6886 30.1198 175.0274 11 N 4.4511 7.7144 117.4318 53.7823 39.4922 173.9362 12 P 4.1708 0.0000 0.0000 65.6939 32.1561 178.2022 13 C 4.5702 9.1407 117.5444 58.9272 41.0754 171.4832 14 C 5.2463 7.5992 112.1064 53.2372 40.7016 173.6031 15 D 4.6059 9.8830 122.0175 54.1062 41.2925 177.2292 16 A 4.1654 8.8199 128.7766 54.9565 19.0294 178.3890 17 A 4.0922 8.1563 118.5996 55.5071 17.8837 178.4535 18 T 4.2351 7.8043 107.3599 61.3053 68.3001 175.3918 19 C 4.2334 8.6787 119.8774 57.9112 41.0770 172.0436 20 K 5.0615 7.2572 116.0239 53.2215 35.5928 175.5591 21 L 3.8555 8.3116 119.3693 55.9042 41.7152 176.6742 22 R 4.2670 7.8792 122.4463 57.4493 31.3769 176.0696 23 P 4.5520 0.0000 0.0000 61.7926 33.6102 176.4501 24 G 3.7984 8.3845 105.2771 45.4813 0.0000 172.6278 25 A 4.6074 7.3373 120.5259 50.7696 21.7237 177.0708 26 Q 4.1809 8.0180 117.0207 56.3893 30.4231 176.9306 27 C 4.7476 8.5175 117.9945 54.8409 46.8477 174.6134 28 G 3.5581 8.5264 114.4254 47.4098 0.0000 173.7466 29 E 4.6970 6.9197 114.2159 54.7079 31.7469 174.8331 30 G 4.3889 8.2207 113.5321 45.0858 0.0000 172.8134 31 L 4.1921 8.2036 120.3334 57.5130 41.2109 177.6648 32 C 5.1157 8.1157 116.2546 55.6709 40.7801 174.4866 33 C 5.2617 7.9380 116.0553 55.0366 39.7867 172.6284 34 E 4.3705 8.7954 125.3802 55.5369 30.1187 176.1838 35 Q 3.3047 9.2352 125.7376 57.2058 27.4172 174.2649 36 C 4.2943 8.2187 110.0945 57.2604 33.0387 172.5728 37 K 4.6374 7.4440 119.2520 53.8013 34.4136 175.4997 38 F 4.8296 8.0204 120.2013 57.9998 38.7727 177.0608 39 S 4.7810 9.6139 123.2128 58.6436 65.0851 173.8453 40 R 4.7497 8.5256 125.6943 54.9029 32.3508 175.1817 41 A 4.2722 8.4892 123.6183 53.1387 19.1255 177.9835 42 G 3.8496 8.9962 105.5551 46.3826 0.0000 174.0677 43 K 4.2638 7.3345 121.4252 54.1678 32.9284 174.8969 44 I 4.3063 8.4590 128.9406 62.1578 37.6496 173.8692 45 C 4.6977 9.0465 125.1029 56.7930 38.5590 174.5593 46 R 4.5451 7.7333 118.2939 55.1733 34.2729 173.6210 47 I 4.5181 8.3935 125.5966 58.4975 39.0920 173.1548 48 P 4.4465 0.0000 0.0000 62.2426 32.1793 175.7860 49 R 4.3948 8.2818 122.6278 56.1010 32.8004 173.3212 50 G 4.2499 8.6819 110.8613 45.1133 0.0000 175.2193 51 D 4.7977 9.0042 119.3906 53.9641 41.9810 173.9813 52 M 4.7054 7.7335 117.2204 52.4874 35.3713 174.4120 53 P 4.4376 0.0000 0.0000 62.6319 32.3871 175.1912 54 D 4.7327 8.1671 119.3899 53.3512 42.2111 175.6548 55 D 4.6901 8.4622 123.8291 53.9360 42.5423 175.2649 56 R 5.2097 8.3638 123.3190 54.3745 34.2766 175.8071 57 C 4.6057 9.3004 120.5258 57.6271 37.6774 174.5894 58 T 4.0895 8.6784 109.3852 61.4957 69.1160 176.0210 59 G 4.0218 8.3339 110.9929 45.4489 0.0000 174.2686 60 Q 4.2569 7.3682 115.8141 55.4905 30.2860 175.5365 61 S 4.2871 7.1668 112.9671 56.4248 64.9645 174.1690 62 A 4.3896 8.4251 128.1057 55.2259 18.7425 177.6354 63 D 4.8095 7.8073 113.5918 53.9283 41.7733 176.3450 64 C 4.5678 8.5048 122.0756 55.0969 44.4522 172.3212 65 P 4.5144 0.0000 0.0000 62.3206 32.9577 173.8718 66 R 5.5079 8.1411 115.4265 54.8139 34.5648 173.8195 67 Y 4.5970 8.4380 115.4183 57.5171 38.5750 174.9048 68 H 4.5962 7.8280 123.6284 56.4240 30.2572 172.6897 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 G 8.35 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 0.00 0.00 0.00 2 K 7.99 4.24 0.00 1.85 1.83 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.53 7.81 3 E 8.81 4.63 0.00 1.89 1.93 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 2.19 2.34 0.00 4 C 8.02 5.14 0.00 2.90 2.96 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 5 D 9.25 4.43 0.00 2.57 2.73 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 6 C 7.70 5.15 0.00 3.06 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 7 S 8.38 4.34 0.00 4.18 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.79 4.41 0.00 3.88 3.78 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 0.00 0.00 0.00 9 P 0.00 4.47 0.00 2.18 2.16 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 10 E 7.80 4.47 0.00 1.92 1.96 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 2.19 2.25 0.00 11 N 7.71 4.45 0.00 2.78 2.67 0.00 0.00 6.92 7.64 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 12 P 0.00 4.17 0.00 2.21 2.15 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 13 C 9.14 4.57 0.00 3.10 3.27 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 14 C 7.60 5.25 0.00 2.75 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 15 D 9.88 4.61 0.00 2.80 2.57 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 16 A 8.82 4.17 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.16 4.09 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.80 4.24 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 1.27 0.00 0.00 19 C 8.68 4.23 0.00 3.11 3.27 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 20 K 7.26 5.06 0.00 1.98 1.63 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.59 7.81 21 L 8.31 3.86 0.00 1.59 1.60 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.88 4.27 0.00 1.86 1.86 0.00 3.24 0.00 0.00 3.26 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 23 P 0.00 4.55 0.00 2.19 2.06 0.00 3.93 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 24 G 8.38 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.34 4.61 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 26 Q 8.02 4.18 0.00 1.52 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.73 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 27 C 8.52 4.75 0.00 2.74 2.40 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 6.92 4.70 0.00 2.04 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 0.00 2.15 2.28 0.00 30 G 8.22 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.20 4.19 0.00 1.78 1.83 0.99 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.12 5.12 0.00 3.17 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 33 C 7.94 5.26 0.00 2.92 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 34 E 8.80 4.37 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 35 Q 9.24 3.30 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 5.85 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 36 C 8.22 4.29 0.00 3.14 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 37 K 7.44 4.64 0.00 1.89 1.61 0.00 1.63 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.25 7.81 38 F 8.02 4.83 0.00 3.01 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 39 S 9.61 4.78 0.00 3.79 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 40 R 8.53 4.75 0.00 1.67 1.81 0.00 3.23 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 41 A 8.49 4.27 1.34 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 0.00 0.00 42 G 9.00 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 0.00 0.00 0.00 43 K 7.33 4.26 0.00 2.02 1.76 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 44 I 8.46 4.31 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.91 0.00 0.00 45 C 9.05 4.70 0.00 3.02 3.20 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 46 R 7.73 4.55 0.00 1.75 1.83 0.00 3.11 0.00 0.00 3.27 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 47 I 8.39 4.52 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.09 0.91 0.00 0.00 48 P 0.00 4.45 0.00 2.21 2.03 0.00 3.79 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.01 0.00 49 R 8.28 4.39 0.00 1.76 1.85 0.00 3.26 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 50 G 8.68 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 0.00 0.00 0.00 0.00 51 D 9.00 4.80 0.00 2.60 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.73 4.71 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 53 P 0.00 4.44 0.00 1.90 1.83 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 54 D 8.17 4.73 0.00 2.51 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 55 D 8.46 4.69 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.36 5.21 0.00 1.68 1.71 0.00 3.26 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 57 C 9.30 4.61 0.00 3.03 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 58 T 8.68 4.09 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 1.21 0.00 0.00 59 G 8.33 4.02 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 0.00 0.00 0.00 60 Q 7.37 4.26 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.52 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 61 S 7.17 4.29 0.00 3.80 3.68 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 62 A 8.43 4.39 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 63 D 7.81 4.81 0.00 2.70 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 64 C 8.50 4.57 0.00 2.95 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 65 P 0.00 4.51 0.00 2.23 2.08 0.00 3.78 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 2.01 1.98 0.00 66 R 8.14 5.51 0.00 1.79 1.91 0.00 3.38 0.00 0.00 3.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.52 0.00 67 Y 8.44 4.60 0.00 2.87 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 68 H 7.83 4.60 0.00 3.07 3.10 0.00 6.01 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00