NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0073 8.2127 109.7451 45.5034 0.0000 173.6299 2 I 2.9683 7.9285 117.5216 62.8484 37.6370 173.6356 3 V 3.4902 8.3363 120.1117 65.9372 31.7799 177.2689 4 E 3.9761 8.0508 117.8415 59.5542 29.1518 179.2421 5 Q 4.0739 7.9854 116.9208 58.3325 29.0622 176.9266 6 C 4.8454 8.3601 114.7165 56.7906 41.8996 173.9993 7 C 4.4565 7.7633 118.4683 61.3703 32.6391 174.7198 8 T 3.9189 8.3948 115.7009 66.1356 68.1523 174.1827 9 S 4.7814 7.4547 113.6658 56.5020 64.7555 172.0799 10 I 4.4760 8.0664 120.7587 59.7424 38.7255 176.0495 11 C 4.9382 8.5540 122.6882 55.7730 42.8125 174.3634 12 S 4.5241 9.3418 119.3959 57.5348 64.9544 175.3591 13 L 3.9515 8.4130 123.0333 58.5266 41.5531 178.0834 14 Y 3.9803 8.0452 117.5806 60.9396 39.0755 177.7392 15 Q 4.3307 8.4447 118.8589 58.9659 28.8305 178.5143 16 L 4.1728 8.1650 121.3655 58.2412 42.2490 178.6877 17 E 4.0850 8.2811 117.7867 58.4354 29.1232 178.4915 18 N 4.1831 7.4953 115.8435 55.0256 38.4778 174.9863 19 Y 4.5268 7.2158 116.3881 57.6779 38.5637 175.7161 20 C 4.4451 7.4805 117.9444 59.1984 29.0465 173.5463 21 N 4.5195 8.5267 117.8853 53.7705 38.1853 175.3572 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 8.21 4.01 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 0.00 0.00 0.00 2 I 7.93 2.97 0.56 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.56 0.63 0.00 0.00 3 V 8.34 3.49 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 1.01 0.00 0.00 0.87 0.00 0.00 4 E 8.05 3.98 0.00 2.18 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 2.40 2.40 0.00 5 Q 7.99 4.07 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.75 0.00 0.00 0.00 0.00 0.00 2.78 2.71 0.00 6 C 8.36 4.85 0.00 2.91 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.46 0.00 2.87 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 8 T 8.39 3.92 4.45 0.00 0.00 0.00 0.00 0.00 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 9 S 7.45 4.78 0.00 3.78 4.06 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 0.00 0.00 0.00 0.00 10 I 8.07 4.48 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.76 0.93 0.00 0.00 11 C 8.55 4.94 0.00 3.00 3.07 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 0.00 0.00 0.00 12 S 9.34 4.52 0.00 4.06 4.06 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 0.00 0.00 0.00 0.00 13 L 8.41 3.95 0.00 1.81 1.76 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.05 3.98 0.00 3.01 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.33 0.00 2.49 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 16 L 8.17 4.17 0.00 1.91 1.87 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.28 4.09 0.00 1.96 1.81 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 2.29 2.52 0.00 18 N 7.50 4.18 0.00 2.14 2.26 0.00 0.00 6.86 7.39 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 19 Y 7.22 4.53 0.00 3.00 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 20 C 7.48 4.45 0.00 3.02 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.53 4.52 0.00 2.71 2.72 0.00 0.00 6.80 7.56 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