NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9892 8.2127 109.7432 45.4939 0.0000 173.4724 2 I 3.3376 8.1172 118.9500 62.6432 37.6897 173.6952 3 V 3.5494 8.3875 119.9899 66.0077 31.6701 177.3004 4 E 3.9678 8.0181 116.7968 59.4562 29.4551 178.6604 5 Q 4.1777 8.2620 118.8524 58.4602 29.2919 175.8953 6 C 5.1662 8.1288 112.7577 55.7652 41.9297 174.1128 7 C 4.2634 7.9954 116.3824 60.3308 28.8126 174.9928 8 T 4.2333 8.0029 116.0703 65.0686 68.5947 174.7500 9 S 4.8140 7.5022 113.6101 55.7838 66.2572 172.9207 10 I 3.9871 8.2064 122.0860 61.4939 37.3805 176.4090 11 C 4.9867 8.5263 122.8512 55.4388 42.8997 174.4906 12 S 4.4556 9.0070 119.7568 57.9194 64.8397 175.5502 13 L 3.9411 8.1812 121.7297 57.9764 41.0060 179.4083 14 Y 4.3581 7.4892 115.7045 61.2073 38.0941 178.0849 15 Q 4.2018 8.1957 118.8653 59.0703 28.8358 178.8782 16 L 4.3264 8.2836 119.9179 57.5587 41.6194 179.0432 17 E 4.0060 8.2645 119.4257 59.0667 29.2626 178.3373 18 N 4.3112 7.7894 115.3581 55.5746 38.4234 175.6050 19 Y 4.5436 7.7917 116.9667 57.1129 38.3768 175.3188 20 C 4.4464 7.3560 118.3504 59.3392 28.9939 173.5340 21 N 4.5393 8.6366 118.3799 53.8053 38.0925 175.1996 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 3.99 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 0.00 0.00 0.00 2 I 8.12 3.34 0.89 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.97 0.66 0.00 0.00 3 V 8.39 3.55 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.02 3.97 0.00 2.09 2.01 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 2.32 2.42 0.00 5 Q 8.26 4.18 0.00 2.24 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 6 C 8.13 5.17 0.00 3.06 3.05 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 0.00 0.00 0.00 0.00 7 C 8.00 4.26 0.00 3.15 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.23 4.25 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 0.00 0.00 1.21 0.00 0.00 9 S 7.50 4.81 0.00 3.95 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 10 I 8.21 3.99 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 1.41 0.54 0.91 0.00 0.00 11 C 8.53 4.99 0.00 2.99 3.06 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 12 S 9.01 4.46 0.00 4.03 4.04 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 13 L 8.18 3.94 0.00 1.36 1.60 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.49 4.36 0.00 3.01 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 15 Q 8.20 4.20 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 16 L 8.28 4.33 0.00 1.88 1.81 0.93 0.74 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 8.26 4.01 0.00 2.40 2.01 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 2.35 2.41 0.00 18 N 7.79 4.31 0.00 2.45 2.45 0.00 0.00 6.95 8.79 0.00 0.00 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 7.79 4.54 0.00 3.13 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 20 C 7.36 4.45 0.00 3.06 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 21 N 8.64 4.54 0.00 2.73 2.75 0.00 0.00 6.81 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