NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8981 8.3549 109.7368 45.3784 0.0000 176.4373 2 S 4.3249 8.6653 121.8954 55.7968 62.5034 171.7563 3 M 4.1027 8.2967 125.0129 57.8681 32.0907 177.8317 4 E 3.8871 8.0240 119.9055 58.9732 29.9744 178.8848 5 R 3.8668 7.8439 117.5485 59.2286 30.3238 178.5532 6 L 3.9644 7.7415 119.7245 58.0951 41.9929 179.0194 7 R 3.8502 8.2365 118.7325 59.5014 30.0871 178.2302 8 D 4.3160 8.2107 118.7035 57.3313 40.8800 178.9352 9 V 3.5115 8.2463 118.9004 65.9913 31.5704 177.7088 10 R 3.8204 8.3750 118.7832 59.6414 29.8897 178.0289 11 E 3.9323 8.3649 118.8805 59.2674 29.5989 178.8671 12 R 4.0237 8.4768 118.5632 59.1724 30.1879 178.8234 13 L 4.0171 8.5024 120.2704 58.5991 42.0988 178.4081 14 Q 3.8847 8.1972 117.5999 59.3427 28.6834 178.9099 15 A 4.0109 8.3620 121.0541 55.8780 18.5627 178.4762 16 W 4.3328 8.6419 126.0857 60.9970 30.3727 177.4084 17 E 3.7989 8.5458 117.3845 60.3709 28.9983 178.6562 18 R 3.8278 8.2466 118.1834 59.6738 29.8923 178.5091 19 A 3.9280 8.5281 120.9720 55.3910 18.6631 178.8723 20 F 3.6690 8.3122 119.5311 61.8822 39.0988 177.0973 21 R 3.2415 8.0971 117.5553 57.8279 29.7237 178.7662 22 R 3.7775 7.1038 118.2056 59.5671 30.2541 177.4099 23 Q 4.2344 7.8098 115.9252 58.1666 29.3383 178.0614 24 R 3.9658 7.9353 119.3248 57.7551 29.8506 178.2795 25 G 4.4728 7.2682 104.0771 45.7469 0.0000 172.6064 26 R 4.1823 6.4136 116.1256 55.0383 34.5620 174.1347 27 R 4.1132 8.7602 119.0729 56.4562 30.1201 174.1645 28 P 4.8567 0.0000 0.0000 62.7856 32.6102 175.4495 29 S 4.9304 8.2841 113.2775 55.9291 67.6198 175.2111 30 Q 4.3412 8.6394 121.2640 59.2665 27.8171 178.5690 31 D 4.2772 7.9795 119.2904 57.4782 41.3390 177.0320 32 D 4.5998 8.1110 117.9263 56.8148 40.8792 178.3184 33 V 3.6704 8.4774 119.3577 65.9559 31.4840 177.3513 34 E 4.1261 8.1031 116.0764 57.8244 29.6089 177.8503 35 A 4.1340 7.4627 118.6779 54.1799 18.7052 177.6238 36 A 4.2127 6.7944 118.6296 50.4683 19.8814 175.6313 37 P 4.4882 0.0000 0.0000 62.0448 33.6259 176.9478 38 E 3.7699 8.4713 117.1294 59.5305 29.4925 177.8871 39 E 3.8366 8.0745 117.7857 60.0546 29.6090 179.4239 40 T 3.3390 7.5711 114.5363 66.5738 68.3848 176.4274 41 R 3.6362 8.0317 119.9015 59.2521 30.0419 178.9465 42 A 3.9313 7.9759 120.2391 55.0443 18.4168 179.5945 43 L 4.0845 7.7514 117.3909 58.2258 41.6794 179.3515 44 Y 4.2462 8.1572 116.6959 61.4417 37.8038 179.1074 45 R 4.0807 8.4027 119.0160 58.9865 30.0411 178.7743 46 E 3.9423 8.3721 119.7479 59.5767 29.8163 178.2542 47 Y 3.9864 8.3874 119.4496 60.2358 38.7890 177.9198 48 R 3.9844 8.5937 120.5732 59.7112 30.2187 178.5760 49 T 3.9377 8.1653 115.6751 66.4175 68.3708 176.9944 50 L 3.9381 8.0350 121.1087 57.5245 41.6011 179.4142 51 K 3.7943 7.9519 119.6240 59.2979 31.8890 179.2653 52 R 3.9044 7.9402 117.5090 59.5297 30.1402 178.9067 53 T 4.0099 7.7490 113.9937 67.0535 68.5824 176.6902 54 T 4.0265 7.7179 116.2803 66.7725 68.5798 176.1431 55 G 3.9880 8.0885 107.3103 45.4944 0.0000 173.2120 56 Q 4.1165 7.8348 125.5464 55.9008 29.0964 175.3879 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 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.67 4.32 0.00 3.96 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 M 8.30 4.10 0.00 2.24 2.31 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 2.64 2.59 0.00 4 E 8.02 3.89 0.00 2.05 1.97 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 2.54 2.39 0.00 5 R 7.84 3.87 0.00 1.85 1.95 0.00 3.34 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 6 L 7.74 3.96 0.00 1.88 1.73 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 7 R 8.24 3.85 0.00 2.08 2.06 0.00 3.20 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 1.63 1.72 0.00 8 D 8.21 4.32 0.00 2.87 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 9 V 8.25 3.51 2.12 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 0.79 0.00 0.00 0.93 0.00 0.00 10 R 8.38 3.82 0.00 1.98 1.96 0.00 3.17 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 11 E 8.36 3.93 0.00 2.14 2.13 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 2.33 2.37 0.00 12 R 8.48 4.02 0.00 2.10 2.10 0.00 3.33 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 13 L 8.50 4.02 0.00 1.80 1.45 0.56 0.21 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 14 Q 8.20 3.88 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 15 A 8.36 4.01 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 16 W 8.64 4.33 0.00 3.10 2.86 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 17 E 8.55 3.80 0.00 2.27 2.16 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 2.59 2.37 0.00 18 R 8.25 3.83 0.00 2.03 1.89 0.00 3.27 0.00 0.00 3.14 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.80 0.00 19 A 8.53 3.93 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 20 F 8.31 3.67 0.00 1.51 2.32 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 21 R 8.10 3.24 0.00 1.71 1.88 0.00 3.05 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.41 0.00 22 R 7.10 3.78 0.00 1.91 1.95 0.00 3.25 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 23 Q 7.81 4.23 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 24 R 7.94 3.97 0.00 1.09 1.75 0.00 3.45 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 25 G 7.27 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.41 4.18 0.00 1.70 1.82 0.00 3.18 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.31 0.00 27 R 8.76 4.11 0.00 1.84 1.95 0.00 3.29 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 28 P 0.00 4.86 0.00 2.42 2.32 0.00 3.91 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 29 S 8.28 4.93 0.00 3.91 3.81 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 0.00 0.00 0.00 0.00 30 Q 8.64 4.34 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 31 D 7.98 4.28 0.00 2.72 2.79 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 32 D 8.11 4.60 0.00 2.92 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 33 V 8.48 3.67 2.17 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 0.96 0.00 0.00 1.04 0.00 0.00 34 E 8.10 4.13 0.00 2.15 1.98 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 2.31 2.32 0.00 35 A 7.46 4.13 1.50 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 0.00 0.00 36 A 6.79 4.21 0.99 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 0.00 0.00 37 P 0.00 4.49 0.00 2.16 2.14 0.00 3.46 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.89 0.00 38 E 8.47 3.77 0.00 1.99 1.92 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 2.33 2.36 0.00 39 E 8.07 3.84 0.00 1.93 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 2.34 2.36 0.00 40 T 7.57 3.34 3.77 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 -0.28 0.00 0.00 41 R 8.03 3.64 0.00 1.96 1.90 0.00 3.26 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 42 A 7.98 3.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.75 4.08 0.00 1.67 1.74 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 8.16 4.25 0.00 2.65 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 45 R 8.40 4.08 0.00 2.00 2.01 0.00 3.14 0.00 0.00 3.10 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 46 E 8.37 3.94 0.00 2.21 2.17 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 2.39 2.35 0.00 47 Y 8.39 3.99 0.00 3.21 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 48 R 8.59 3.98 0.00 2.12 2.02 0.00 2.99 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 49 T 8.17 3.94 4.29 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 1.21 0.00 0.00 50 L 8.04 3.94 0.00 1.77 1.52 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 51 K 7.95 3.79 0.00 1.56 1.77 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.42 7.81 52 R 7.94 3.90 0.00 1.93 1.99 0.00 3.43 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 53 T 7.75 4.01 4.27 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 1.20 0.00 0.00 54 T 7.72 4.03 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 1.20 0.00 0.00 55 G 8.09 3.99 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 0.00 0.00 0.00 56 Q 7.83 4.12 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00