NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8646 8.2127 109.7379 47.8704 0.0000 175.6513 2 I 3.0411 7.5337 118.3656 62.9180 39.9653 173.2143 3 V 4.3141 7.9969 115.0549 64.0425 32.4016 177.6006 4 E 4.0394 8.2697 116.8173 59.5855 29.0617 178.5070 5 Q 3.9572 8.2062 120.3059 59.3993 28.8488 177.9753 6 C 4.3308 8.2966 117.8694 60.0313 43.8829 175.0299 7 C 3.9614 8.4181 117.2112 62.3431 27.6786 174.7676 8 T 4.4404 7.8698 115.1785 64.5089 71.1450 175.2638 9 S 4.3659 8.8249 120.1106 59.4900 61.3602 173.4177 10 I 3.2137 8.2685 114.6301 62.8900 37.2536 176.1426 11 C 4.0569 7.5938 115.6902 57.7184 41.9695 172.3053 12 S 4.6063 7.6334 123.3619 55.9926 64.1475 172.6110 13 L 3.6077 7.8537 113.1781 58.8398 41.0348 178.4949 14 Y 4.8613 6.7110 116.7916 61.9903 38.1520 178.0611 15 Q 4.1732 8.5604 119.8670 57.9264 28.9883 178.1518 16 L 3.8851 8.4065 119.2146 58.0180 41.7245 179.2453 17 E 4.0068 8.7047 118.6611 60.0309 29.4142 179.1664 18 N 4.6255 8.4592 113.2562 54.7328 39.0742 175.7162 19 Y 4.5929 8.1193 121.3512 58.5904 40.1124 173.4602 20 C 3.8225 8.1946 121.0772 59.3272 29.7618 173.3698 21 N 4.4709 8.3259 122.6942 53.5654 39.1023 174.7670 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 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 7.53 3.04 1.73 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.15 0.91 0.00 0.00 3 V 8.00 4.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.97 0.00 0.00 4 E 8.27 4.04 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 5 Q 8.21 3.96 0.00 2.21 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.26 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 6 C 8.30 4.33 0.00 3.45 3.13 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 0.00 0.00 0.00 7 C 8.42 3.96 0.00 3.07 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 8 T 7.87 4.44 4.26 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 1.22 0.00 0.00 9 S 8.82 4.37 0.00 4.04 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 10 I 8.27 3.21 1.90 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 1.32 0.54 0.95 0.00 0.00 11 C 7.59 4.06 0.00 3.18 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 7.63 4.61 0.00 3.79 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 13 L 7.85 3.61 0.00 0.93 1.50 0.71 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.71 4.86 0.00 3.04 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 8.56 4.17 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.57 2.79 0.00 16 L 8.41 3.89 0.00 1.90 1.70 0.86 0.84 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 17 E 8.70 4.01 0.00 2.27 2.11 0.00 0.00 0.00 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 2.60 0.00 18 N 8.46 4.63 0.00 2.89 2.88 0.00 0.00 7.06 8.12 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 19 Y 8.12 4.59 0.00 3.17 2.89 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 20 C 8.19 3.82 0.00 3.14 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.33 4.47 0.00 2.95 2.69 0.00 0.00 7.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00