NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3134 8.2493 123.5808 51.6146 20.0948 177.1166 2 S 4.1547 8.1670 115.0867 57.2003 65.0837 172.8715 3 P 4.2157 0.0000 0.0000 65.9137 31.4182 180.1314 4 E 3.8468 7.9773 116.8092 59.1656 29.4714 179.0480 5 L 3.8895 7.8334 120.0972 58.1160 42.0105 178.8131 6 A 3.9740 8.0172 119.7957 55.2470 18.4175 179.3306 7 S 4.1951 7.9770 110.3767 59.3426 62.5736 174.3682 8 G 3.6595 7.6701 108.5714 46.3445 0.0000 174.3779 9 K 3.9187 7.6605 120.1815 56.0275 33.1376 177.5163 10 V 4.0734 6.5871 116.3486 59.1526 34.3395 174.6756 11 W 5.0427 8.3114 119.9396 54.6978 32.6900 175.4138 12 I 4.1029 8.4651 122.0372 61.5777 37.1551 176.3114 13 R 4.4741 8.6463 121.0990 55.8118 32.2481 175.4083 14 Y 4.7589 7.6894 114.4855 55.1004 41.3901 173.5574 15 P 4.4724 0.0000 0.0000 63.1562 31.6248 176.1359 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 A 8.25 4.31 1.26 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 0.00 0.00 2 S 8.17 4.15 0.00 4.24 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 3 P 0.00 4.22 0.00 2.14 2.12 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 4 E 7.98 3.85 0.00 1.96 1.86 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 2.33 2.35 0.00 5 L 7.83 3.89 0.00 1.71 1.60 0.89 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 6 A 8.02 3.97 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 7 S 7.98 4.20 0.00 3.90 3.85 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 8 G 7.67 3.66 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 0.00 0.00 0.00 9 K 7.66 3.92 0.00 1.52 1.67 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.22 7.81 10 V 6.59 4.07 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 0.64 0.00 0.00 0.89 0.00 0.00 11 W 8.31 5.04 0.00 3.42 2.98 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 12 I 8.47 4.10 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.53 1.01 0.00 0.00 13 R 8.65 4.47 0.00 1.70 1.37 0.00 3.21 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.65 0.00 14 Y 7.69 4.76 0.00 2.96 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 15 P 0.00 4.47 0.00 2.21 2.06 0.00 3.99 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00