NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0042 8.2127 109.7447 45.3976 0.0000 173.6583 2 I 3.3804 8.0946 117.5352 63.1390 37.5686 173.3462 3 V 3.5436 8.4002 120.1395 65.9242 31.8757 177.3231 4 E 4.5161 7.9742 119.2553 59.0596 29.1916 179.0275 5 Q 4.2011 7.9551 118.2405 57.2046 29.0121 176.7442 6 C 4.8672 8.4732 115.7238 57.0294 42.2540 174.2972 7 C 4.3843 7.7670 119.1655 61.3893 32.3088 174.8558 8 T 4.0135 8.4028 110.4297 63.4409 68.9184 173.8538 9 S 4.9242 7.4735 114.9844 55.6380 66.1182 172.8803 10 I 3.8606 8.0533 121.3627 61.2090 37.2547 177.1173 11 C 4.8045 8.5447 125.2241 56.2901 44.8297 172.5824 12 S 4.8115 8.0160 115.3897 55.8023 66.6945 174.7302 13 L 4.0140 8.5595 124.2827 58.3295 41.6453 178.5387 14 Y 3.9406 8.0349 118.3839 60.9050 39.1659 177.8546 15 Q 4.3286 8.1093 118.6355 58.9050 28.7867 178.4935 16 L 4.1663 8.0989 120.0307 58.1087 41.7447 179.4923 17 E 4.0191 8.3295 117.6541 58.8167 29.0714 178.9270 18 N 4.2642 7.7784 115.7340 55.3270 38.5536 175.7128 19 Y 4.4836 7.6316 116.1764 57.0816 38.6745 175.4974 20 C 4.4868 7.0000 117.8910 59.0740 29.2747 173.5258 21 N 4.5279 8.5546 118.1595 53.7560 38.2002 175.3181 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.38 0.77 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.31 0.64 0.00 0.00 3 V 8.40 3.54 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 1.08 0.00 0.00 0.88 0.00 0.00 4 E 7.97 4.52 0.00 2.28 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 2.41 2.32 0.00 5 Q 7.96 4.20 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.69 2.49 0.00 6 C 8.47 4.87 0.00 3.02 3.08 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 0.00 0.00 0.00 0.00 7 C 7.77 4.38 0.00 2.89 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 8 T 8.40 4.01 4.24 0.00 0.00 0.00 0.00 0.00 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 7.47 4.92 0.00 4.11 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 10 I 8.05 3.86 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 1.30 0.54 0.92 0.00 0.00 11 C 8.54 4.80 0.00 3.11 3.01 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 12 S 8.02 4.81 0.00 4.10 3.92 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 13 L 8.56 4.01 0.00 1.82 1.76 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.03 3.94 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 15 Q 8.11 4.33 0.00 2.38 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 16 L 8.10 4.17 0.00 1.91 1.78 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.33 4.02 0.00 1.90 1.90 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 2.31 2.46 0.00 18 N 7.78 4.26 0.00 2.61 2.34 0.00 0.00 6.91 7.20 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 19 Y 7.63 4.48 0.00 3.09 3.01 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 20 C 7.00 4.49 0.00 2.93 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 21 N 8.55 4.53 0.00 2.71 2.73 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