NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8598 8.3549 109.7285 45.6639 0.0000 173.3667 2 I 3.5735 8.0193 118.9139 63.7692 37.3368 172.9718 3 V 3.5776 8.0051 112.8548 64.5626 31.5144 177.6436 4 E 3.8794 7.9399 117.7811 59.4502 29.1992 178.2957 5 Q 4.6034 8.0990 115.5995 56.3506 29.8963 177.0688 6 C 4.7531 8.1723 116.8988 56.6679 40.5998 172.7473 7 C 4.7459 7.9010 120.9003 60.6154 38.0009 174.7368 8 T 4.3957 8.0578 114.8172 64.1023 69.7750 175.5284 9 S 4.7932 7.2719 115.1415 58.3405 62.5616 174.0793 10 I 4.4477 8.3339 119.1993 59.1797 39.4652 174.9409 11 C 4.5282 8.7627 125.4535 55.2657 39.3338 173.4479 12 S 4.7057 7.7275 121.8971 56.5470 66.1861 174.7581 13 L 3.8460 8.1205 124.0305 58.3388 41.9921 178.7571 14 Y 4.1170 7.7005 117.4255 59.8899 37.8620 177.6308 15 Q 3.5397 5.9423 120.3475 58.6034 29.2996 177.7853 16 L 3.0870 7.0643 120.6449 58.2259 40.5820 178.8530 17 E 3.9308 7.8065 119.5264 59.5130 29.1335 178.9990 18 N 4.8105 7.7929 117.1371 55.5163 38.4581 176.9410 19 Y 4.4293 7.9820 117.6565 60.1524 37.9651 176.1285 20 C 4.8508 7.3973 116.2586 58.5258 33.3032 173.0734 21 N 4.4479 8.3401 123.0415 54.8205 38.8327 173.6714 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 3.86 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 2 I 8.02 3.57 1.75 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.50 0.89 0.00 0.00 3 V 8.01 3.58 2.08 0.00 0.00 0.00 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 0.91 0.00 0.00 4 E 7.94 3.88 0.00 2.09 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 2.31 2.51 0.00 5 Q 8.10 4.60 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 6 C 8.17 4.75 0.00 3.16 3.15 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 7 C 7.90 4.75 0.00 2.84 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 8 T 8.06 4.40 4.32 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 1.26 0.00 0.00 9 S 7.27 4.79 0.00 3.84 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 10 I 8.33 4.45 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 0.91 0.00 0.00 11 C 8.76 4.53 0.00 2.91 2.94 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 12 S 7.73 4.71 0.00 3.39 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 13 L 8.12 3.85 0.00 1.67 1.70 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.70 4.12 0.00 3.25 3.22 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 15 Q 5.94 3.54 0.00 1.05 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.22 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 16 L 7.06 3.09 0.00 1.83 1.63 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.81 3.93 0.00 2.17 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 2.32 2.51 0.00 18 N 7.79 4.81 0.00 2.89 2.95 0.00 0.00 7.08 6.93 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 19 Y 7.98 4.43 0.00 2.99 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 20 C 7.40 4.85 0.00 3.02 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 21 N 8.34 4.45 0.00 2.77 2.61 0.00 0.00 7.26 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00