NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.8943 8.3501 109.7368 45.5951 0.0000 172.6454 -1 A 4.4973 8.0116 122.3071 48.0348 22.3170 174.0493 0 M 4.2684 8.6014 117.7066 54.7335 32.6717 174.7368 1 G 3.7400 8.3652 107.7340 45.7690 0.0000 172.6491 2 S 4.6786 8.1493 115.2197 56.5771 66.4568 172.1261 3 H 4.7614 8.5195 120.1282 53.8427 30.7729 172.7500 4 P 4.4221 0.0000 0.0000 63.6778 32.2342 175.1394 5 M 5.1556 8.4371 122.2051 53.2576 35.4097 175.3389 6 C 4.3133 8.9734 122.2160 59.2261 32.5075 174.9497 7 K 4.1195 8.7585 126.5398 59.7680 32.0207 178.4086 8 E 3.9654 8.2575 116.7567 58.8321 29.6804 176.5461 9 H 4.8059 7.7431 117.7513 53.6455 28.8765 174.3603 10 E 4.1481 8.5465 123.8714 58.2576 29.6187 177.6992 11 D 4.7003 8.0680 115.8665 54.0238 41.6030 174.8935 12 E 4.7872 8.1428 118.3406 54.6805 31.9713 175.7323 13 K 4.5103 8.5816 123.5233 56.1341 33.2064 176.9892 14 I 4.1192 8.8481 125.6463 61.8915 37.1069 175.3748 15 N 5.2486 8.9052 122.8450 52.0061 39.5206 173.4100 16 I 5.1172 8.2202 112.9590 59.6437 41.7259 173.2485 17 Y 4.9915 8.9046 123.5936 55.7285 41.5405 173.9760 18 C 4.2204 8.4917 128.2663 58.9797 31.5649 173.9773 19 L 4.0725 8.3327 127.6504 57.9651 41.3548 179.5876 20 T 4.0200 7.9199 114.9784 66.7323 68.6255 175.6356 21 C 4.2117 7.8695 115.0896 59.6265 29.0545 173.0827 22 E 3.5999 7.5613 118.1796 55.7016 27.1222 174.7321 23 V 4.7213 6.1941 109.8190 58.9510 36.8089 174.5311 24 P 4.9365 0.0000 0.0000 63.8364 32.4886 175.3904 25 T 4.6588 8.9001 115.5065 61.8314 71.1677 171.4818 26 C 5.3788 8.5392 115.3151 56.2793 32.4557 175.3164 27 S 4.1606 8.8988 115.4964 61.9058 62.3783 176.7023 28 M 4.0902 7.9666 121.7934 58.2180 31.7054 178.2070 29 C 4.2987 8.0202 117.1892 62.2998 28.2099 176.0111 30 K 4.0778 7.8094 121.0404 59.3348 31.7675 178.9579 31 V 3.2805 7.7609 117.5577 65.2731 31.5408 176.5319 32 F 5.0013 8.2561 112.7963 56.5997 41.6047 175.4641 33 G 4.4764 7.6105 111.3514 44.5716 0.0000 174.2361 34 I 3.8953 8.4438 113.4329 62.9484 38.0955 176.2606 35 H 4.8564 8.1187 118.8016 55.3900 28.8773 176.4549 36 K 4.6209 8.2283 121.2534 59.4286 32.1645 178.2132 37 A 4.0966 7.8509 120.5105 54.0849 18.6809 177.2352 38 C 4.4433 7.7533 113.4335 59.0396 29.5049 172.5767 39 E 4.4459 8.6301 122.7123 55.9687 30.5000 175.6722 40 V 5.1249 8.1855 117.6682 60.0935 36.3509 173.8199 41 A 4.8174 8.7160 122.3376 49.7734 23.0073 173.9773 42 P 4.6271 0.0000 0.0000 62.5010 31.6552 177.1293 43 L 4.1205 8.6251 124.0466 55.8958 42.3365 177.4058 44 Q 3.8965 8.0708 120.2240 56.5949 29.6008 173.0815 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 G 8.35 3.89 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 0.00 0.00 0.00 -1 A 8.01 4.50 1.22 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 M 8.60 4.27 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 1 G 8.37 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 2 S 8.15 4.68 0.00 3.94 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 0.00 3 H 8.52 4.76 0.00 3.21 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.42 0.00 2.15 1.99 0.00 3.48 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.13 0.00 5 M 8.44 5.16 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 6 C 8.97 4.31 0.00 2.99 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.76 4.12 0.00 1.79 1.86 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.42 7.81 8 E 8.26 3.97 0.00 1.74 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 2.29 2.24 0.00 9 H 7.74 4.81 0.00 3.26 3.26 0.00 5.82 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.55 4.15 0.00 1.97 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 2.32 2.26 0.00 11 D 8.07 4.70 0.00 2.62 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 12 E 8.14 4.79 0.00 2.08 1.83 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 2.27 2.41 0.00 13 K 8.58 4.51 0.00 1.53 1.46 0.00 1.64 0.00 0.00 1.39 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.24 1.39 7.81 14 I 8.85 4.12 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 1.42 0.78 1.02 0.00 0.00 15 N 8.91 5.25 0.00 2.80 2.97 0.00 0.00 5.66 7.81 0.00 0.00 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 I 8.22 5.12 1.98 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.36 0.92 0.00 0.00 17 Y 8.90 4.99 0.00 3.02 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 18 C 8.49 4.22 0.00 2.67 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.07 0.00 1.74 1.76 0.98 1.02 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 20 T 7.92 4.02 4.20 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 1.20 0.00 0.00 21 C 7.87 4.21 0.00 2.87 2.95 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 22 E 7.56 3.60 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.40 0.00 23 V 6.19 4.72 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 0.83 0.00 0.00 0.81 0.00 0.00 24 P 0.00 4.94 0.00 2.15 2.21 0.00 3.85 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 2.04 2.05 0.00 25 T 8.90 4.66 4.13 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 1.08 0.00 0.00 26 C 8.54 5.38 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 27 S 8.90 4.16 0.00 4.06 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 28 M 7.97 4.09 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.58 0.00 29 C 8.02 4.30 0.00 3.27 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 30 K 7.81 4.08 0.00 1.84 1.93 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.48 7.81 31 V 7.76 3.28 1.51 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 -0.56 0.00 0.00 0.80 0.00 0.00 32 F 8.26 5.00 0.00 3.06 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 33 G 7.61 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 0.00 0.00 0.00 0.00 34 I 8.44 3.90 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.20 0.88 0.00 0.00 35 H 8.12 4.86 0.00 3.21 3.28 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.23 4.62 0.00 1.86 2.02 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.75 1.36 7.81 37 A 7.85 4.10 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 38 C 7.75 4.44 0.00 2.96 2.85 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 39 E 8.63 4.45 0.00 2.05 1.79 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 2.28 2.28 0.00 40 V 8.19 5.12 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 0.69 0.00 0.00 0.91 0.00 0.00 41 A 8.72 4.82 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 42 P 0.00 4.63 0.00 1.96 2.00 0.00 3.70 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 2.03 2.12 0.00 43 L 8.63 4.12 0.00 1.58 1.74 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.07 3.90 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00