NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9748 8.3544 109.7397 44.7647 0.0000 175.6168 2 I 4.1166 8.8678 115.8914 58.9103 41.8559 168.8912 3 V 3.4820 8.7574 126.0485 61.7693 31.4311 171.0270 4 E 4.0996 8.9231 118.2812 56.1033 27.9794 173.4605 5 Q 4.4581 6.8190 112.4837 55.9944 31.7528 175.6575 6 S 4.5906 8.1851 110.2714 58.1871 63.6882 176.0783 7 C 3.8558 8.1334 118.2562 59.9065 32.1811 175.0274 8 T 3.1562 8.5344 112.5577 62.2869 68.5638 173.1875 9 S 3.7373 9.1438 111.3104 58.5877 60.2852 169.3732 10 I 4.3467 7.0718 115.3198 61.9610 39.8799 177.1181 11 S 4.8256 7.4387 115.3065 56.8897 63.1179 175.0653 12 S 4.5979 7.4341 110.0301 58.9599 65.5932 176.4970 13 L 4.0526 7.8240 123.1509 58.2692 40.0405 177.8659 14 Y 3.9949 8.1386 120.6299 60.7674 38.5279 177.6982 15 Q 4.0525 8.2157 120.6044 58.7187 29.3145 177.2814 16 L 2.9000 7.7945 120.7439 56.5781 41.7847 177.7302 17 E 4.1562 7.5043 117.2387 58.0005 29.5240 176.0447 18 N 4.9383 8.1546 115.4539 54.3006 39.3524 174.3588 19 Y 4.1639 8.2105 116.3124 59.6732 38.6122 175.8053 20 C 4.1497 8.1445 113.3730 57.7166 29.9733 173.4460 21 N 4.3831 8.7790 115.7651 54.0174 38.1013 175.0835 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 8.35 3.97 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 0.00 0.00 0.00 2 I 8.87 4.12 1.95 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.61 1.05 0.00 0.00 3 V 8.76 3.48 2.13 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 0.80 0.00 0.00 0.95 0.00 0.00 4 E 8.92 4.10 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.31 0.00 5 Q 6.82 4.46 0.00 2.10 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.05 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 6 S 8.19 4.59 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.86 0.00 3.09 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 3.16 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 9.14 3.74 0.00 4.18 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.07 4.35 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.06 0.90 0.00 0.00 11 S 7.44 4.83 0.00 3.94 3.89 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 12 S 7.43 4.60 0.00 3.99 4.05 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 13 L 7.82 4.05 0.00 1.78 1.85 1.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.14 3.99 0.00 3.08 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 15 Q 8.22 4.05 0.00 2.43 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 16 L 7.79 2.90 0.00 1.41 1.49 -0.22 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.50 4.16 0.00 1.95 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 18 N 8.15 4.94 0.00 2.74 2.79 0.00 0.00 7.08 7.12 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 8.21 4.16 0.00 3.06 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 20 C 8.14 4.15 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 21 N 8.78 4.38 0.00 2.73 2.82 0.00 0.00 6.75 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00