NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 M 4.4481 8.3044 120.3249 55.5749 33.0616 174.8086 0 D 4.7413 7.7913 111.6333 53.4525 42.1847 172.8948 1 E 4.5581 9.0721 120.0776 55.4908 32.7301 175.5984 2 K 4.2777 8.1946 115.4262 57.7248 33.6054 177.1646 3 R 4.3822 7.6031 122.8403 53.5251 29.4045 173.5991 4 P 4.4334 0.0000 0.0000 62.6433 31.9502 175.3467 5 R 4.3946 7.7412 122.7981 56.8566 34.1270 175.2020 6 T 4.5156 7.9900 109.0812 61.0286 68.5395 176.7535 7 A 4.2211 7.3012 124.5619 51.9506 17.5249 176.6870 8 F 4.9597 8.3088 119.3115 55.7857 42.9263 175.3286 9 S 4.8809 8.6885 116.2063 56.7626 66.2710 175.1642 10 S 4.1411 8.5570 118.8270 62.0445 62.5736 176.7975 11 E 3.9099 8.0828 121.2488 59.2459 29.3919 178.7569 12 Q 3.8990 8.0250 118.1062 59.0283 28.8474 178.7231 13 L 3.5016 8.4164 120.0800 57.3500 41.5946 179.4398 14 A 3.9345 8.0993 120.9426 55.0965 18.3597 179.6901 15 R 3.7863 7.8671 117.0960 59.6146 30.1505 178.6488 16 L 3.8064 7.7511 118.9632 57.6810 41.2973 179.7276 17 K 4.2774 8.4335 118.6841 59.5110 31.5954 179.5952 18 R 3.9775 8.0348 118.3439 59.4456 30.0541 179.0062 19 E 4.1715 8.3750 118.3698 59.4362 29.2590 179.2184 20 F 5.0689 8.4822 121.3996 60.9881 39.4879 176.6633 21 N 4.5021 8.4708 115.6148 56.1567 38.3429 176.7359 22 E 4.2303 7.6382 118.0150 57.6753 30.3133 176.9025 23 N 4.3852 7.6052 115.9642 52.5861 42.2951 174.9023 24 R 3.2466 7.7896 123.5909 57.1818 30.2942 175.4372 25 Y 5.0536 6.8620 115.7772 56.4412 40.6080 174.4210 26 L 4.3243 8.0088 119.0774 52.9479 45.6854 176.6408 27 T 4.4257 8.1059 113.5326 60.1689 71.9381 175.4660 28 E 3.8677 8.5643 122.0069 59.7281 29.5175 178.9850 29 R 3.9018 7.9608 117.9407 59.5520 30.1377 178.5304 30 R 3.8908 7.9565 117.8601 59.0243 30.0493 178.8945 31 R 3.8404 8.2816 118.9231 59.6825 30.1697 178.4543 32 Q 4.4345 8.0224 120.5690 58.6454 29.0269 178.1520 33 Q 3.9956 8.4080 119.4993 58.9160 28.7256 178.6234 34 L 4.0201 8.4150 120.6637 57.6610 41.7622 179.6853 35 S 4.2589 8.0288 115.5471 61.1869 62.6948 176.6334 36 S 4.1169 7.9614 115.8680 60.5143 62.1589 175.4573 37 E 4.0404 8.5318 121.6539 59.4001 29.5971 178.3974 38 L 4.2673 7.9656 117.7018 55.2471 42.5224 177.6490 39 G 4.0549 8.6359 106.8977 46.3139 0.0000 172.3808 40 L 4.8252 7.5219 116.8201 52.0412 45.9332 175.5923 41 N 4.6689 8.4130 118.2341 53.0818 39.7246 175.4701 42 E 4.0301 9.1109 124.7756 59.8328 29.4931 179.5043 43 A 4.0599 8.0214 120.1305 55.2082 18.4333 179.5981 44 Q 4.1584 8.2865 116.6820 59.1767 28.8457 178.9301 45 I 3.8609 7.8992 120.4299 64.2422 37.2862 178.1225 46 K 4.0858 8.4990 120.7463 59.8563 32.0558 178.9232 47 I 3.8646 8.0441 120.0538 63.9851 36.9335 178.1952 48 W 4.0500 8.6053 129.5142 60.5374 30.4843 178.1352 49 F 3.8676 8.8734 117.7894 60.5382 38.2962 177.5010 50 Q 4.0903 8.4789 119.2767 59.3421 28.6243 178.1197 51 N 4.2854 8.3686 117.1434 56.0209 38.7212 177.0836 52 K 3.4396 7.6406 121.2160 59.0684 32.0953 178.9338 53 R 4.1645 8.2333 119.0351 59.1900 29.8235 178.1374 54 A 4.1584 7.4837 119.5635 54.2920 18.3946 179.2957 55 K 4.0354 7.4493 116.7678 58.9483 32.1179 179.0370 56 I 4.2782 7.5928 119.1767 62.3563 37.7763 176.5181 57 K 4.2368 7.6428 124.0486 56.0492 31.5855 176.3395 58 K 4.2435 8.0312 123.6101 57.2211 33.2619 177.0917 59 S 4.1333 7.5213 118.2201 58.7597 62.3786 173.9597 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 M 8.30 4.45 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 0 D 7.79 4.74 0.00 2.73 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.07 4.56 0.00 1.93 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 2.18 2.29 0.00 2 K 8.19 4.28 0.00 1.75 1.81 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.49 7.81 3 R 7.60 4.38 0.00 1.78 1.91 0.00 3.26 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 4 P 0.00 4.43 0.00 2.17 2.07 0.00 3.79 0.00 0.00 3.81 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 5 R 7.74 4.39 0.00 1.89 2.03 0.00 3.10 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 6 T 7.99 4.52 4.55 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 1.53 0.00 0.00 7 A 7.30 4.22 1.15 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 0.00 0.00 0.00 8 F 8.31 4.96 0.00 2.96 2.88 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 0.00 0.00 0.00 9 S 8.69 4.88 0.00 4.05 3.97 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 S 8.56 4.14 0.00 3.89 3.98 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 0.00 0.00 0.00 0.00 11 E 8.08 3.91 0.00 2.07 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 2.37 2.44 0.00 12 Q 8.03 3.90 0.00 2.43 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 13 L 8.42 3.50 0.00 1.69 1.70 1.04 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 A 8.10 3.93 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.87 3.79 0.00 1.99 1.97 0.00 3.15 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 1.59 1.69 0.00 16 L 7.75 3.81 0.00 0.51 0.13 -0.16 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17 K 8.43 4.28 0.00 2.09 1.93 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.67 7.81 18 R 8.03 3.98 0.00 2.12 2.02 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 19 E 8.37 4.17 0.00 2.51 2.28 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 2.62 2.57 0.00 20 F 8.48 5.07 0.00 2.86 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.47 4.50 0.00 3.05 2.91 0.00 0.00 7.11 7.58 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 22 E 7.64 4.23 0.00 2.14 1.99 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 2.34 2.55 0.00 23 N 7.61 4.39 0.00 2.69 2.54 0.00 0.00 7.19 7.14 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 24 R 7.79 3.25 0.00 1.24 1.68 0.00 3.02 0.00 0.00 3.11 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 25 Y 6.86 5.05 0.00 2.91 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 26 L 8.01 4.32 0.00 1.27 1.30 0.84 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.11 4.43 4.22 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 1.20 0.00 0.00 28 E 8.56 3.87 0.00 2.01 1.99 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 2.38 2.32 0.00 29 R 7.96 3.90 0.00 1.87 1.91 0.00 3.39 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 30 R 7.96 3.89 0.00 2.09 1.91 0.00 3.14 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 31 R 8.28 3.84 0.00 1.99 2.01 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 32 Q 8.02 4.43 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 33 Q 8.41 4.00 0.00 2.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 34 L 8.42 4.02 0.00 1.78 1.73 1.04 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.03 4.26 0.00 4.13 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.12 0.00 3.94 3.98 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 0.00 0.00 0.00 0.00 37 E 8.53 4.04 0.00 2.12 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 2.32 2.39 0.00 38 L 7.97 4.27 0.00 1.66 1.71 0.85 1.13 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 39 G 8.64 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 40 L 7.52 4.83 0.00 1.76 1.67 1.17 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.41 4.67 0.00 2.82 2.72 0.00 0.00 6.88 7.67 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 42 E 9.11 4.03 0.00 2.08 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 0.00 2.61 2.43 0.00 43 A 8.02 4.06 1.36 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 44 Q 8.29 4.16 0.00 2.46 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 45 I 7.90 3.86 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.99 1.11 0.00 0.00 46 K 8.50 4.09 0.00 2.04 2.06 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.63 7.81 47 I 8.04 3.86 2.04 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.64 1.00 0.00 0.00 48 W 8.61 4.05 0.00 3.39 3.35 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 0.00 49 F 8.87 3.87 0.00 3.57 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 50 Q 8.48 4.09 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 51 N 8.37 4.29 0.00 2.78 2.62 0.00 0.00 7.01 7.50 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 52 K 7.64 3.44 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.39 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.25 7.81 53 R 8.23 4.16 0.00 2.34 2.03 0.00 3.28 0.00 0.00 3.41 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.05 0.00 54 A 7.48 4.16 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.45 4.04 0.00 1.74 1.77 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.37 1.36 7.81 56 I 7.59 4.28 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.57 0.93 0.00 0.00 57 K 7.64 4.24 0.00 1.92 1.89 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.51 7.81 58 K 8.03 4.24 0.00 1.76 1.81 0.00 1.74 0.00 0.00 1.62 0.00 0.00 3.10 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.38 1.35 7.81 59 S 7.52 4.13 0.00 3.77 3.65 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 0.00 0.00 0.00 0.00