#ala 10 9 n 1.32 115.41 3*psi 180. -.2153 13 0 2 3 0 h 1. 122.97 0. .2024 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0638 7 1 4 5 9 ha 1.09 109.433 -59.93 .0713 1 3 0 0 0 cb 1.52 109.47 60. -.2248 7 3 6 7 8 hb1 1.09 109.47 4*x1 180. .0736 1 5 0 0 0 hb2 1.09 109.47 -60. .0736 1 5 0 0 0 hb3 1.09 109.47 60. .0736 1 5 0 0 0 c 1.53 109.7 2*phi 180. .5683 8 3 -10 0 0 o 1.24 120.95 180. -.5589 11 -9 0 0 0 #arg 23 22 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 22 ha 1.09 109.433 -59.93 .0711 1 3 0 0 0 cb 1.52 109.47 60. -.1427 7 3 6 7 8 hb1 1.09 109.47 -60. .0714 1 5 0 0 0 hb2 1.09 109.47 60. .0714 1 5 0 0 0 cg 1.52 109.47 4*x1 180. -.1395 7 5 9 10 11 hg1 1.09 109.47 -60. .0719 1 8 0 0 0 hg2 1.09 109.47 60. .0719 1 8 0 0 0 cd 1.52 109.47 4*x2 180. -.1326 7 8 12 13 14 hd1 1.09 109.47 -60. .0748 1 11 0 0 0 hd2 1.09 109.47 60. .0748 1 11 0 0 0 ne 1.47 109.47 4*x3 180. -.1628 13 11 15 16 0 he 1.02 120. 0. .2076 4 14 0 0 0 cz 1.35 120. 8*x4 180. .4189 9 14 -17 19 0 nh1 1.32 119. 17*x5 0. -.8789 15 -16 18 0 0 hh1 1.02 124. 180. .2845 3 17 0 0 0 nh2 1.34 120.5 180. -.4678 14 16 20 21 0 hh21 1.02 120. 18*x6 180. .2882 4 19 0 0 0 hh22 1.02 120. 0. .2882 4 19 0 0 0 c 1.53 109.7 2*phi 180. .5680 8 3 -23 0 0 o 1.24 120.95 180. -.5590 11 -22 0 0 0 #arg+ 24 23 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 23 ha 1.09 109.433 -59.93 .0711 1 3 0 0 0 cb 1.52 109.47 60. -.1425 7 3 6 7 8 hb1 1.09 109.47 -60. .0715 1 5 0 0 0 hb2 1.09 109.47 60. .0715 1 5 0 0 0 cg 1.52 109.47 4*x1 180. -.1379 7 5 9 10 11 hg1 1.09 109.47 -60. .0721 1 8 0 0 0 hg2 1.09 109.47 60. .0721 1 8 0 0 0 cd 1.52 109.47 4*x2 180. -.1274 7 8 12 13 14 hd1 1.09 109.47 -60. .0765 1 11 0 0 0 hd2 1.09 109.47 60. .0765 1 11 0 0 0 ne 1.47 109.47 4*x3 180. -.0177 13 11 15 16 0 he 1.02 120. 0. .2347 4 14 0 0 0 cz 1.35 120. 8*x4 180. .3119 9 14 -17 -20 0 nh1 1.34 120. 17*x5 0. -.6246 13 -16 18 19 0 hh11 1.02 120. 18*x61 180. .4218 4 17 0 0 0 hh12 1.02 120. 0. .4218 4 17 0 0 0 nh2 1.34 120. 180. -.6246 13 -16 21 22 0 hh21 1.02 120. 18*x62 180. .4218 4 20 0 0 0 hh22 1.02 120. 0. .4218 4 20 0 0 0 c 1.53 109.7 2*phi 180. .5680 8 3 -24 0 0 o 1.24 120.95 180. -.5590 11 -23 0 0 0 #asn 14 13 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0669 7 1 4 5 13 ha 1.09 109.433 -59.93 .0710 1 3 0 0 0 cb 1.52 109.47 60. -.1477 7 3 6 7 8 hb1 1.09 109.47 -60. .0708 1 5 0 0 0 hb2 1.09 109.47 60. .0708 1 5 0 0 0 cg 1.52 111. 4*x1 180. .5713 8 5 -9 10 0 od1 1.24 120. 11*x2 180. -.5827 11 -8 0 0 0 nd2 1.34 120. 0. -.5539 14 8 11 12 0 hd21 1.02 120. 19*x3 0. .2858 4 10 0 0 0 hd22 1.02 120. 180. .2858 4 10 0 0 0 c 1.53 109.7 2*phi 180. .5679 8 3 -14 0 0 o 1.24 120.95 180. -.5590 11 -13 0 0 0 #asp 13 12 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0667 7 1 4 5 12 ha 1.09 109.433 -60. .0710 1 3 0 0 0 cb 1.52 109.47 60. -.1465 7 3 6 7 8 hb1 1.09 109.47 -60. .0709 1 5 0 0 0 hb2 1.09 109.47 60. .0709 1 5 0 0 0 cg 1.52 109.47 4*x1 180. .6380 8 5 -9 10 0 od1 1.24 120.95 9*x2 180. -.4865 11 -8 0 0 0 od2 1.29 115. 0. -.5032 10 8 11 0 0 hd2 .97 107. 16*x3 180. .3564 5 10 0 0 0 c 1.53 109.7 2*phi 180. .5679 8 3 -13 0 0 o 1.24 120.95 180. -.5590 11 -12 0 0 0 #asp- 12 11 n 1.32 115.41 3*psi 180. -.2154 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0654 7 1 4 5 11 ha 1.09 109.433 -59.93 .0712 1 3 0 0 0 cb 1.52 109.47 60. -.1066 7 3 6 7 8 hb1 1.09 109.47 -60. .0722 1 5 0 0 0 hb2 1.09 109.47 60. .0722 1 5 0 0 0 cg 1.52 109.47 4*x1 180. .6278 9 5 -9 -10 0 od1 1.24 120. 10*x2 180. -.8337 12 -8 0 0 0 od2 1.24 120. 0. -.8337 12 -8 0 0 0 c 1.53 109.7 2*phi 180. .5681 8 3 -12 0 0 o 1.24 120.95 180. -.5590 11 -11 0 0 0 #cys 11 10 n 1.32 115.41 3*psi 180. -.2153 13 0 2 3 0 h 1. 122.97 0. .2024 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0624 7 1 4 5 10 ha 1.09 109.433 -59.93 .0715 1 3 0 0 0 cb 1.52 109.47 60. -.1324 7 3 6 7 8 hb1 1.09 108.836 -59.62 .0750 1 5 0 0 0 hb2 1.09 108.836 59.62 .0750 1 5 0 0 0 sg 1.82 112. 4*x1 180. -.1542 16 5 9 0 0 hg 1.33 95. 14*x2 180. .1309 6 8 0 0 0 c 1.53 109.7 2*phi 180. .5684 8 3 -11 0 0 o 1.24 120.95 180. -.5589 11 -10 0 0 0 #cyss 10 9 n 1.32 115.41 3*psi 180. -.2153 13 0 2 3 0 h 1. 122.97 0. .2024 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0624 7 1 4 5 9 ha 1.09 109.433 -59.93 .0715 1 3 0 0 0 cb 1.52 109.47 60. -.0927 7 3 6 7 8 hb1 1.09 108.836 -59.62 .0975 1 5 0 0 0 hb2 1.09 108.836 59.62 .0975 1 5 0 0 0 sg 1.82 112. 4*x1 180. -.1080 16 5 0 0 0 c 1.53 109.7 2*phi 180. .5684 8 3 -10 0 0 o 1.24 120.95 180. -.5589 11 -9 0 0 0 #gln 17 16 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0664 7 1 4 5 16 ha 1.09 109.433 -59.93 .0711 1 3 0 0 0 cb 1.52 109.47 60. -.1438 7 3 6 7 8 hb1 1.09 109.47 -60. .0713 1 5 0 0 0 hb2 1.09 109.47 60. .0713 1 5 0 0 0 cg 1.52 109.47 4*x1 180. -.1474 7 5 9 10 11 hg1 1.09 109.47 -60. .0708 1 8 0 0 0 hg2 1.09 109.47 60. .0708 1 8 0 0 0 cd 1.52 109.47 4*x2 180. .5715 8 8 -12 13 0 oe1 1.24 120. 11*x3 180. -.5827 11 -11 0 0 0 ne2 1.34 120. 0. -.5539 14 11 14 15 0 he21 1.02 120. 19*x4 0. .2858 4 13 0 0 0 he22 1.02 120. 180. .2858 4 13 0 0 0 c 1.53 109.7 2*phi 180. .5680 8 3 -17 0 0 o 1.24 120.95 180. -.5590 11 -16 0 0 0 #glu 16 15 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0663 7 1 4 5 15 ha 1.09 109.433 -59.93 .0711 1 3 0 0 0 cb 1.52 109.47 60. -.1436 7 3 6 7 8 hb1 1.09 109.47 -60. .0713 1 5 0 0 0 hb2 1.09 109.47 60. .0713 1 5 0 0 0 cg 1.52 109.47 4*x1 180. -.1463 7 5 9 10 11 hg1 1.09 109.47 -60. .0710 1 8 0 0 0 hg2 1.09 109.47 60. .0710 1 8 0 0 0 cd 1.52 109.47 4*x2 180. .6380 8 8 -12 13 0 oe1 1.24 120.95 9*x3 180. -.4865 11 -11 0 0 0 oe2 1.29 115. 0. -.5032 10 11 14 0 0 he2 .97 107. 16*x4 180. .3564 5 13 0 0 0 c 1.53 109.7 2*phi 180. .5680 8 3 -16 0 0 o 1.24 120.95 180. -.5590 11 -15 0 0 0 #glu- 15 14 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0661 7 1 4 5 14 ha 1.09 109.433 -59.93 .0711 1 3 0 0 0 cb 1.52 109.47 60. -.1424 7 3 6 7 8 hb1 1.09 109.47 -60. .0715 1 5 0 0 0 hb2 1.09 109.47 60. .0715 1 5 0 0 0 cg 1.52 109.47 4*x1 180. -.1066 7 5 9 10 11 hg1 1.09 109.47 -60. .0723 1 8 0 0 0 hg2 1.09 109.47 60. .0723 1 8 0 0 0 cd 1.52 109.47 4*x2 180. .6280 9 8 -12 -13 0 oe1 1.24 120. 10*x3 180. -.8337 12 -11 0 0 0 oe2 1.24 120. 0. -.8337 12 -11 0 0 0 c 1.53 109.7 2*phi 180. .5680 8 3 -15 0 0 o 1.24 120.95 180. -.5590 11 -14 0 0 0 #gly 7 6 n 1.32 115.41 3*psi 180. -.2145 13 0 2 3 0 h 1. 122.97 0. .2028 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.1460 7 1 4 5 6 ha1 1.09 109.414 -59.964 .0730 1 3 0 0 0 ha2 1.09 109.414 59.964 .0730 1 3 0 0 0 c 1.53 109.7 2*phi 180. .5701 8 3 -7 0 0 o 1.24 120.95 180. -.5584 11 -6 0 0 0 #hisd 17 16 n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0 h 1. 122.97 0. .2018 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0832 7 1 4 5 16 ha 1.09 109.433 -59.93 .0692 1 3 0 0 0 cb 1.52 109.47 60. -.0081 7 3 6 7 8 hb1 1.09 109.47 -60. .0556 1 5 0 0 0 hb2 1.09 109.47 60. .0556 1 5 0 0 0 cg 1.54 109.47 4*x1 180. -.0502 9 5 9 -14 0 nd1 1.404 127.173 12*x2 180. -.1876 13 8 10 11 0 hd1 1.02 125.913 0. .2498 4 9 0 0 0 ce1 1.32 108.174 180. .0520 9 9 12 -13 0 he1 1.09 125.5 180. .1460 2 11 0 0 0 ne2 1.31 109. 0. -.3698 15 -11 14 0 0 cd2 1.36 110. 0. -.0654 9 13 -8 15 0 hd2 1.09 126.5 180. .1443 2 14 0 0 0 c 1.53 109.7 2*phi 180. .5660 8 3 -17 0 0 o 1.24 120.95 180. -.5596 11 -16 0 0 0 #hise 17 16 n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0 h 1. 122.97 0. .2018 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0821 7 1 4 5 16 ha 1.09 109.433 -59.93 .0693 1 3 0 0 0 cb 1.52 109.47 60. -.0004 7 3 6 7 8 hb1 1.09 109.47 -60. .0567 1 5 0 0 0 hb2 1.09 109.47 60. .0567 1 5 0 0 0 cg 1.54 109.47 4*x1 180. .0123 9 5 9 -14 0 nd1 1.404 127.173 12*x2 180. -.3791 15 8 -10 0 0 ce1 1.32 108.174 180. .0520 9 -9 11 12 0 he1 1.09 125.5 180. .1460 2 10 0 0 0 ne2 1.31 109. 0. -.1816 13 10 13 14 0 he2 1.02 125. 180. .2515 4 12 0 0 0 cd2 1.36 110. 0. -.1270 9 12 -8 15 0 hd2 1.09 126.5 180. .1336 2 14 0 0 0 c 1.53 109.7 2*phi 180. .5662 8 3 -17 0 0 o 1.24 120.95 180. -.5595 11 -16 0 0 0 #his+ 18 17 n 1.32 115.41 3*psi 180. -.2158 13 0 2 3 0 h 1. 122.97 0. .2021 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0735 7 1 4 5 17 ha 1.09 109.433 -59.93 .0703 1 3 0 0 0 cb 1.52 109.47 60. .0578 7 3 6 7 8 hb1 1.09 109.47 -60. .0647 1 5 0 0 0 hb2 1.09 109.47 60. .0647 1 5 0 0 0 cg 1.54 109.47 4*x1 180. .0681 9 5 9 -15 0 nd1 1.404 127.173 12*x2 180. -.0975 13 8 10 -11 0 hd1 1.02 125.913 0. .3951 4 9 0 0 0 ce1 1.32 108.174 180. -.2901 9 -9 12 -13 0 he1 1.09 125.5 180. .2356 2 11 0 0 0 ne2 1.31 109. 0. -.0750 13 -11 14 15 0 he2 1.02 125. 180. .3976 4 13 0 0 0 cd2 1.36 110. 0. -.0351 9 13 -8 16 0 hd2 1.09 126.5 180. .2231 2 15 0 0 0 c 1.53 109.7 2*phi 180. .5672 8 3 -18 0 0 o 1.24 120.95 180. -.5593 11 -17 0 0 0 #hyp 15 14 n 1.36 115. 3*psi 180. -.0198 13 0 2 11 0 ca 1.453 121. 1*omg 180. -.0664 7 1 3 4 14 ha 1.09 110.124 42.356 .0707 1 2 0 0 0 cb 1.52 105. 162.578 -.1328 7 2 5 6 7 hb1 1.09 111.001 139.235 .0727 1 4 0 0 0 hb2 1.09 111.001 -101.895 .0727 1 4 0 0 0 cg 1.52 105.9 18.67 .0379 7 4 8 9 11 hg 1.09 112.058 -137.847 .0826 1 7 0 0 0 od1 1.49 106. 99.18 -.5101 10 7 10 0 0 hd1 1. 110. 5*xg 122.767 .3591 5 9 0 0 0 cd2 1.52 107.9 -14.02 -.1238 7 7 12 13 1 hd21 1.09 111.315 124.178 .0753 1 11 0 0 0 hd22 1.09 111.315 -116.538 .0753 1 11 0 0 0 c 1.53 111. -75. .5667 8 2 -15 0 0 o 1.24 120.95 180. -.5601 11 -14 0 0 0 #ile 19 18 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0678 7 1 4 5 18 ha 1.09 109.433 -59.93 .0709 1 3 0 0 0 cb 1.52 109.47 60. -.0601 7 3 6 7 11 hb 1.09 109.47 -60. .0700 1 5 0 0 0 cg2 1.52 109.47 60. -.2261 7 5 8 9 10 hg21 1.09 109.47 4*x22 -60. .0734 1 7 0 0 0 hg22 1.09 109.47 60. .0734 1 7 0 0 0 hg23 1.09 109.47 180. .0734 1 7 0 0 0 cg1 1.52 109.47 4*x1 180. -.1421 7 5 12 13 14 hg11 1.09 109.47 -60. .0715 1 11 0 0 0 hg12 1.09 109.47 60. .0715 1 11 0 0 0 cd1 1.52 109.47 4*x21 180. -.2246 7 11 15 16 17 hd11 1.09 109.47 4*x31 -60. .0737 1 14 0 0 0 hd12 1.09 109.47 60. .0737 1 14 0 0 0 hd13 1.09 109.47 180. .0737 1 14 0 0 0 c 1.53 109.7 2*phi 180. .5678 8 3 -19 0 0 o 1.24 120.95 180. -.5591 11 -18 0 0 0 #leu 19 18 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0664 7 1 4 5 18 ha 1.09 109.433 -59.93 .0711 1 3 0 0 0 cb 1.52 109.47 60. -.1444 7 3 6 7 8 hb1 1.09 109.47 -60. .0712 1 5 0 0 0 hb2 1.09 109.47 60. .0712 1 5 0 0 0 cg 1.52 109.47 4*x1 180. -.0579 7 5 9 10 14 hg 1.09 109.47 60. .0702 1 8 0 0 0 cd1 1.52 109.47 4*x2 180. -.2259 7 8 11 12 13 hd11 1.09 109.47 4*x31 -60. .0735 1 10 0 0 0 hd12 1.09 109.47 60. .0735 1 10 0 0 0 hd13 1.09 109.47 180. .0735 1 10 0 0 0 cd2 1.52 109.47 -60. -.2259 7 8 15 16 17 hd21 1.09 109.47 4*x32 -60. .0735 1 14 0 0 0 hd22 1.09 109.47 60. .0735 1 14 0 0 0 hd23 1.09 109.47 180. .0735 1 14 0 0 0 c 1.53 109.7 2*phi 180. .5680 8 3 -19 0 0 o 1.24 120.95 180. -.5590 11 -18 0 0 0 #lys 21 20 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 20 ha 1.09 109.433 -59.93 .0711 1 3 0 0 0 cb 1.52 109.47 60. -.1430 7 3 6 7 8 hb1 1.09 109.47 -60. .0714 1 5 0 0 0 hb2 1.09 109.47 60. .0714 1 5 0 0 0 cg 1.52 109.47 4*x1 180. -.1412 7 5 9 10 11 hg1 1.09 109.47 -60. .0717 1 8 0 0 0 hg2 1.09 109.47 60. .0717 1 8 0 0 0 cd 1.52 109.47 4*x2 180. -.1301 7 8 12 13 14 hd1 1.09 109.47 -60. .0732 1 11 0 0 0 hd2 1.09 109.47 60. .0732 1 11 0 0 0 ce 1.52 109.47 4*x3 180. -.1034 7 11 15 16 17 he1 1.09 109.47 -60. .0845 1 14 0 0 0 he2 1.09 109.47 60. .0845 1 14 0 0 0 nz 1.48 109.47 4*x4 180. -.6640 14 14 18 19 0 hz1 1.02 120. 6*x5 180. .2897 3 17 0 0 0 hz2 1.02 120. 0. .2897 3 17 0 0 0 c 1.53 109.7 2*phi 180. .5680 8 3 -21 0 0 o 1.24 120.95 180. -.5590 11 -20 0 0 0 #lys+ 22 21 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0662 7 1 4 5 21 ha 1.09 109.433 -59.93 .0711 1 3 0 0 0 cb 1.52 109.47 60. -.1426 7 3 6 7 8 hb1 1.09 109.47 -60. .0715 1 5 0 0 0 hb2 1.09 109.47 60. .0715 1 5 0 0 0 cg 1.52 109.47 4*x1 180. -.1386 7 5 9 10 11 hg1 1.09 109.47 -60. .0720 1 8 0 0 0 hg2 1.09 109.47 60. .0720 1 8 0 0 0 cd 1.52 109.47 4*x2 180. -.1101 7 8 12 13 14 hd1 1.09 109.47 -60. .0759 1 11 0 0 0 hd2 1.09 109.47 60. .0759 1 11 0 0 0 ce 1.52 109.47 4*x3 180. .2225 7 11 15 16 17 he1 1.09 109.47 -60. .1049 1 14 0 0 0 he2 1.09 109.47 60. .1049 1 14 0 0 0 nz 1.48 109.47 4*x4 180. -.9253 13 14 18 19 20 hz1 1.02 109.47 7*x5 180. .4816 3 17 0 0 0 hz2 1.02 109.47 -60. .4816 3 17 0 0 0 hz3 1.02 109.47 60. .4816 3 17 0 0 0 c 1.53 109.7 2*phi 180. .5680 8 3 -22 0 0 o 1.24 120.95 180. -.5590 11 -21 0 0 0 #met 17 16 n 1.32 115.41 3*psi 180. -.2154 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0659 7 1 4 5 16 ha 1.09 109.433 -59.93 .0711 1 3 0 0 0 cb 1.52 109.47 60. -.1409 7 3 6 7 8 hb1 1.09 109.47 -60. .0717 1 5 0 0 0 hb2 1.09 109.47 60. .0717 1 5 0 0 0 cg 1.52 109.47 4*x1 180. -.1354 7 5 9 10 11 hg1 1.09 109.47 -60. .0739 1 8 0 0 0 hg2 1.09 109.47 60. .0739 1 8 0 0 0 sd 1.82 109.47 4*x2 180. -.0296 16 8 12 0 0 ce 1.82 120. 13*x3 180. -.2162 7 11 13 14 15 he1 1.09 109.47 13*x4 -60. .0766 1 12 0 0 0 he2 1.09 109.47 60. .0766 1 12 0 0 0 he3 1.09 109.47 180. .0766 1 12 0 0 0 c 1.53 109.7 2*phi 180. .5680 8 3 -17 0 0 o 1.24 120.95 180. -.5590 11 -16 0 0 0 #phe 20 19 n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0 h 1. 122.97 0. .2018 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0834 7 1 4 5 19 ha 1.09 109.433 -59.93 .0692 1 3 0 0 0 cb 1.52 109.47 60. -.0099 7 3 6 7 8 hb1 1.09 109.47 -60. .0555 1 5 0 0 0 hb2 1.09 109.47 60. .0555 1 5 0 0 0 cg 1.52 109.47 4*x1 180. -.0644 9 5 -9 17 0 cd1 1.37 120. 12*x2 180. -.1375 9 -8 10 11 0 hd1 1.09 120. 0. .1313 2 9 0 0 0 ce1 1.37 120. 180. -.1330 9 9 12 -13 0 he1 1.09 120. 180. .1322 2 11 0 0 0 cz 1.37 120. 0. -.1326 9 -11 14 15 0 hz 1.09 120. 180. .1323 2 13 0 0 0 ce2 1.37 120. 0. -.1330 9 13 16 -17 0 he2 1.09 120. 180. .1322 2 15 0 0 0 cd2 1.37 120. 0. -.1375 9 -15 18 8 0 hd2 1.09 120. 180. .1313 2 17 0 0 0 c 1.53 109.7 2*phi 180. .5660 8 3 -20 0 0 o 1.24 120.95 180. -.5596 11 -19 0 0 0 #pro 14 13 n 1.36 115. 3*psi 180. -.0210 13 0 2 10 0 ca 1.453 121. 1*omg 180. -.0681 7 1 3 4 13 ha 1.09 110.124 42.356 .0704 1 2 0 0 0 cb 1.52 105. 162.578 -.1437 7 2 5 6 7 hb1 1.09 111.001 139.235 .0712 1 4 0 0 0 hb2 1.09 111.001 -101.895 .0712 1 4 0 0 0 cg 1.52 105.9 18.67 -.1409 7 4 8 9 10 hg1 1.09 110.49 106.87 .0716 1 7 0 0 0 hg2 1.09 110.49 -134.91 .0716 1 7 0 0 0 cd 1.52 107.9 -14.02 -.1355 7 7 11 12 1 hd1 1.09 111.315 124.178 .0738 1 10 0 0 0 hd2 1.09 111.315 -116.538 .0738 1 10 0 0 0 c 1.53 111. -75. .5661 8 2 -14 0 0 o 1.24 120.95 180. -.5605 11 -13 0 0 0 #ser 11 10 n 1.32 115.41 3*psi 180. -.2145 13 0 2 3 0 h 1. 122.97 0. .2027 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0506 7 1 4 5 10 ha 1.09 109.433 -59.93 .0728 1 3 0 0 0 cb 1.52 109.47 60. -.0486 7 3 6 7 8 hb1 1.09 109.47 -60. .0859 1 5 0 0 0 hb2 1.09 109.47 60. .0859 1 5 0 0 0 og 1.43 109.47 4*x1 180. -.5054 10 5 9 0 0 hg .97 107. 5*x2 180. .3604 5 8 0 0 0 c 1.53 109.7 2*phi 180. .5698 8 3 -11 0 0 o 1.24 120.95 180. -.5584 11 -10 0 0 0 #thr 14 13 n 1.32 115.41 3*psi 180. -.2147 13 0 2 3 0 h 1. 122.97 0. .2026 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0541 7 1 4 5 13 ha 1.09 109.433 -59.93 .0724 1 3 0 0 0 cb 1.52 109.47 60. .0375 7 3 6 7 9 hb 1.09 109.47 -60. .0827 1 5 0 0 0 og1 1.43 109.47 4*x1 180. -.5091 10 5 8 0 0 hg1 .97 107. 5*x21 180. .3597 5 7 0 0 0 cg2 1.52 109.47 60. -.2140 7 5 10 11 12 hg21 1.09 109.47 4*x22 60. .0754 1 9 0 0 0 hg22 1.09 109.47 -60. .0754 1 9 0 0 0 hg23 1.09 109.47 180. .0754 1 9 0 0 0 c 1.53 109.7 2*phi 180. .5694 8 3 -14 0 0 o 1.24 120.95 180. -.5586 11 -13 0 0 0 #trp 24 23 n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0 h 1. 122.97 0. .2018 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0834 7 1 4 5 23 ha 1.09 109.433 -59.93 .0692 1 3 0 0 0 cb 1.52 109.47 60. -.0101 7 3 6 7 8 hb1 1.09 109.47 -60. .0555 1 5 0 0 0 hb2 1.09 109.47 60. .0555 1 5 0 0 0 cg 1.54 109.47 4*x1 180. -.1137 9 5 -9 22 0 cd1 1.37 126.5 12*x2 180. -.0999 9 -8 10 11 0 hd1 1.09 125.89 0. .1320 2 9 0 0 0 ne1 1.39 108.22 180. -.2115 13 9 12 13 0 he1 1.02 125.22 180. .2480 4 11 0 0 0 ce2 1.39 109.56 0. .0276 9 11 14 -22 0 cz2 1.37 131.78 180. -.1497 9 13 15 -16 0 hz2 1.09 120. 0. .1320 2 14 0 0 0 ch2 1.37 120. 180. -.1392 9 -14 17 18 0 hh2 1.09 120. 180. .1323 2 16 0 0 0 cz3 1.37 120. 0. -.1437 9 16 19 -20 0 hz3 1.09 120. 180. .1323 2 18 0 0 0 ce3 1.37 120. 0. -.1419 9 -18 21 22 0 he3 1.09 120. 180. .1319 2 20 0 0 0 cd2 1.37 120. 0. -.0150 9 20 8 -13 0 c 1.53 109.7 2*phi 180. .5660 8 3 -24 0 0 o 1.24 120.95 180. -.5596 11 -23 0 0 0 #tyr 21 20 n 1.32 115.41 3*psi 180. -.2164 13 0 2 3 0 h 1. 122.97 0. .2018 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0834 7 1 4 5 20 ha 1.09 109.433 -59.93 .0692 1 3 0 0 0 cb 1.52 109.47 60. -.0099 7 3 6 7 8 hb1 1.09 109.47 -60. .0555 1 5 0 0 0 hb2 1.09 109.47 60. .0555 1 5 0 0 0 cg 1.52 109.47 4*x1 180. -.0643 9 5 -9 18 0 cd1 1.37 120. 12*x2 180. -.1371 9 -8 10 11 0 hd1 1.09 120. 0. .1313 2 9 0 0 0 ce1 1.37 120. 180. -.1297 9 9 12 -13 0 he1 1.09 120. 180. .1330 2 11 0 0 0 cz 1.37 120. 0. .0813 9 -11 14 16 0 oh 1.38 120. 180. -.4579 10 13 15 0 0 hh .97 107. 15*x6 180. .3672 5 14 0 0 0 ce2 1.37 120. 0. -.1297 9 13 17 -18 0 he2 1.09 120. 180. .1330 2 16 0 0 0 cd2 1.37 120. 0. -.1371 9 -16 19 8 0 hd2 1.09 120. 180. .1313 2 18 0 0 0 c 1.53 109.7 2*phi 180. .5660 8 3 -21 0 0 o 1.24 120.95 180. -.5596 11 -20 0 0 0 #val 16 15 n 1.32 115.41 3*psi 180. -.2155 13 0 2 3 0 h 1. 122.97 0. .2023 4 1 0 0 0 ca 1.47 120.93 1*omg 180. -.0675 7 1 4 5 15 ha 1.09 109.433 -59.93 .0709 1 3 0 0 0 cb 1.52 109.47 60. -.0583 7 3 6 7 11 hb 1.09 109.47 60. .0702 1 5 0 0 0 cg1 1.52 109.47 4*x1 180. -.2259 7 5 8 9 10 hg11 1.09 109.47 4*x21 -60. .0735 1 7 0 0 0 hg12 1.09 109.47 60. .0735 1 7 0 0 0 hg13 1.09 109.47 180. .0735 1 7 0 0 0 cg2 1.52 109.47 -60. -.2259 7 5 12 13 14 hg21 1.09 109.47 4*x22 -60. .0735 1 11 0 0 0 hg22 1.09 109.47 60. .0735 1 11 0 0 0 hg23 1.09 109.47 180. .0735 1 11 0 0 0 c 1.53 109.7 2*phi 180. .5678 8 3 -16 0 0 o 1.24 120.95 180. -.5591 11 -15 0 0 0 #nh1 2 1 # only for Pro & Hyp n 1.47 109.7 180. .0 13 0 2 0 0 h 1.02 123.491 -75.02 .0 4 1 0 0 0 #nh2 3 1 n 1.47 109.7 3*psi 180. .0 14 0 2 3 0 h1 1.02 120. 6*phi 180. .0 4 1 0 0 0 h2 1.02 120. 0. .0 4 1 0 0 0 #nh2+ 3 1 # only for Pro & Hyp n 1.47 109.7 180. .0 13 0 2 3 0 h1 1.02 109.208 -133.247 .0 3 1 0 0 0 h2 1.02 109.208 -16.793 .0 3 1 0 0 0 #nh3+ 4 1 n 1.47 109.7 3*psi 180. .0 13 0 2 3 4 h1 1.02 109.47 7*phi 180. .0 3 1 0 0 0 h2 1.02 109.47 60. .0 3 1 0 0 0 h3 1.02 109.47 -60. .0 3 1 0 0 0 #cooh 4 1 c 1.53 109.7 2*phi 180. .0 8 0 -2 3 0 o 1.24 120.95 0. .0 11 -1 0 0 0 oxt 1.29 115. 9*pst 180. .0 10 1 4 0 0 hxt .97 107. 16*omt 180. .0 5 3 0 0 0 #coo- 3 1 c 1.53 109.7 2*phi 180. .0 9 0 -2 -3 0 o 1.24 120. 0. .0 12 -1 0 0 0 oxt 1.24 120. 10*pst 180. .0 12 -1 0 0 0