==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PEPTIDE SYNTHETASE 18-JUN-97 1AMU . COMPND 2 MOLECULE: GRAMICIDIN SYNTHETASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; . AUTHOR E.CONTI,T.STACHELHAUS,M.A.MARAHIEL,P.BRICK . 1019 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 676 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 86 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 142 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 74 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 112 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 5 0 0 4 3 1 4 6 3 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 12 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 4 2 7 4 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 0 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 17 A G 0 0 110 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.3 12.1 63.6 30.3 2 18 A T - 0 0 86 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.596 360.0-139.9-104.3 -14.6 12.9 66.2 33.0 3 19 A H > + 0 0 120 3,-0.1 4,-1.8 1,-0.1 5,-0.1 0.929 36.4 165.7 55.5 52.8 14.8 68.8 30.9 4 20 A E H > + 0 0 126 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.927 67.7 50.9 -67.0 -47.9 17.3 69.4 33.6 5 21 A E H > S+ 0 0 92 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 112.3 47.6 -58.3 -44.2 19.9 71.3 31.5 6 22 A E H > S+ 0 0 113 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.893 112.7 48.9 -64.8 -41.4 17.3 73.7 30.1 7 23 A Q H >X S+ 0 0 122 -4,-1.8 4,-2.8 2,-0.2 3,-1.0 0.923 108.9 53.2 -67.0 -39.8 15.9 74.3 33.6 8 24 A Y H 3X S+ 0 0 65 -4,-3.1 4,-2.1 1,-0.3 -2,-0.2 0.938 103.6 56.9 -57.7 -47.2 19.4 75.0 35.0 9 25 A L H 3< S+ 0 0 14 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.691 114.2 39.7 -62.0 -17.7 19.9 77.6 32.2 10 26 A F H X< S+ 0 0 81 -3,-1.0 3,-1.7 -4,-0.7 -1,-0.2 0.789 107.8 60.1 -96.3 -34.2 16.8 79.4 33.5 11 27 A A H >< S+ 0 0 53 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.842 96.2 63.7 -61.1 -33.1 17.5 78.9 37.2 12 28 A V T 3< S+ 0 0 25 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.663 100.0 54.7 -66.2 -15.1 20.7 80.8 36.8 13 29 A N T < + 0 0 16 -3,-1.7 2,-1.9 -5,-0.2 -1,-0.3 0.212 69.9 115.6-102.4 11.8 18.6 83.8 35.9 14 30 A N < + 0 0 140 -3,-1.9 -3,-0.1 1,-0.2 -1,-0.1 -0.610 35.2 127.8 -79.3 82.0 16.5 83.7 39.0 15 31 A T + 0 0 22 -2,-1.9 319,-2.2 320,-0.1 -1,-0.2 0.194 22.1 143.9-124.6 10.6 17.8 87.1 40.1 16 32 A K + 0 0 184 317,-0.2 2,-0.3 -3,-0.2 317,-0.1 -0.273 20.2 165.7 -58.9 137.7 14.7 89.2 40.7 17 33 A A - 0 0 28 2,-0.0 2,-0.2 316,-0.0 -2,-0.0 -0.985 40.3 -99.2-153.5 149.0 15.0 91.6 43.7 18 34 A E + 0 0 84 -2,-0.3 315,-0.0 174,-0.1 0, 0.0 -0.489 50.6 156.2 -70.2 140.7 13.0 94.5 45.0 19 35 A Y - 0 0 12 -2,-0.2 2,-2.6 173,-0.0 3,-0.1 -0.963 57.3 -85.8-159.0 157.6 14.4 97.9 44.0 20 36 A P > + 0 0 27 0, 0.0 3,-1.8 0, 0.0 8,-0.1 -0.362 53.5 166.9 -69.5 72.2 13.1 101.5 43.6 21 37 A R T 3 S+ 0 0 104 -2,-2.6 144,-0.1 1,-0.3 164,-0.1 0.644 73.0 47.7 -64.6 -18.5 11.9 101.0 40.0 22 38 A D T 3 S+ 0 0 133 -3,-0.1 2,-0.3 142,-0.1 -1,-0.3 0.368 95.8 93.2-103.3 2.9 9.8 104.2 40.0 23 39 A K < - 0 0 54 -3,-1.8 2,-0.2 141,-0.1 165,-0.2 -0.685 65.1-136.3-101.3 148.8 12.5 106.4 41.5 24 40 A T > - 0 0 4 -2,-0.3 4,-2.5 139,-0.1 5,-0.2 -0.533 29.1-105.7 -93.3 169.4 15.1 108.6 39.7 25 41 A I H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.939 121.7 45.9 -60.3 -48.9 18.7 109.0 40.5 26 42 A H H > S+ 0 0 13 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.883 109.7 54.6 -65.3 -36.4 18.2 112.5 42.0 27 43 A Q H > S+ 0 0 64 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.958 110.8 46.2 -58.2 -47.6 15.2 111.3 44.0 28 44 A L H X S+ 0 0 4 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.896 112.8 49.7 -62.8 -39.8 17.4 108.5 45.5 29 45 A F H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.929 111.0 50.1 -62.6 -45.1 20.2 111.1 46.1 30 46 A E H X S+ 0 0 23 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.859 107.0 53.5 -62.4 -38.3 17.7 113.4 47.8 31 47 A E H X S+ 0 0 12 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.828 110.7 48.2 -68.6 -27.0 16.3 110.6 50.0 32 48 A Q H X S+ 0 0 14 -4,-1.4 4,-2.2 -3,-0.2 -2,-0.2 0.864 108.4 52.9 -77.7 -38.6 19.9 109.9 51.1 33 49 A V H < S+ 0 0 7 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.924 108.8 51.7 -60.5 -41.4 20.5 113.7 51.8 34 50 A S H < S+ 0 0 18 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.866 109.0 49.9 -64.7 -36.0 17.4 113.6 54.0 35 51 A K H < S+ 0 0 108 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.922 135.1 5.2 -69.1 -47.0 18.6 110.6 56.0 36 52 A R >< + 0 0 130 -4,-2.2 3,-1.5 1,-0.1 15,-0.3 -0.590 67.9 167.0-141.2 78.1 22.1 112.0 56.7 37 53 A P T 3 S+ 0 0 7 0, 0.0 15,-3.0 0, 0.0 16,-0.4 0.770 79.5 53.4 -63.1 -26.3 22.4 115.6 55.5 38 54 A N T 3 S+ 0 0 86 13,-0.2 2,-0.2 12,-0.2 -5,-0.1 0.293 80.8 112.1 -97.4 8.1 25.6 116.2 57.4 39 55 A N S < S- 0 0 41 -3,-1.5 12,-2.5 -6,-0.1 2,-0.3 -0.537 81.7-101.1 -73.6 147.8 27.5 113.2 56.1 40 56 A V E +A 50 0A 48 10,-0.3 10,-0.3 -2,-0.2 3,-0.1 -0.587 42.3 178.5 -69.9 128.1 30.5 114.0 53.9 41 57 A A E + 0 0 0 8,-2.7 190,-2.5 -2,-0.3 2,-0.4 0.849 60.1 11.4 -97.7 -45.7 29.4 113.6 50.2 42 58 A I E -Ab 49 231A 0 7,-1.8 7,-2.1 188,-0.2 2,-0.4 -0.997 55.9-168.1-146.9 135.4 32.4 114.6 48.2 43 59 A V E +Ab 48 232A 5 188,-2.9 190,-2.7 -2,-0.4 2,-0.3 -0.973 7.3 174.0-124.3 135.1 36.1 115.3 48.8 44 60 A C E > -A 47 0A 18 3,-3.1 3,-2.3 -2,-0.4 2,-0.4 -0.877 64.0 -58.3-144.2 107.1 38.6 116.9 46.4 45 61 A E T 3 S- 0 0 85 188,-0.4 189,-0.0 -2,-0.3 188,-0.0 -0.421 122.7 -12.6 59.8-107.4 42.0 117.8 47.7 46 62 A N T 3 S+ 0 0 170 -2,-0.4 2,-0.3 -3,-0.1 -1,-0.3 0.308 124.6 80.8-104.7 9.6 41.5 120.1 50.7 47 63 A E E < +A 44 0A 79 -3,-2.3 -3,-3.1 2,-0.0 2,-0.3 -0.855 50.5 166.1-118.7 150.2 37.9 120.9 49.9 48 64 A Q E -A 43 0A 109 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.989 19.7-149.4-157.2 158.9 34.6 118.9 50.7 49 65 A L E -A 42 0A 16 -7,-2.1 -8,-2.7 -2,-0.3 -7,-1.8 -0.977 18.3-130.8-131.7 145.5 30.8 119.2 50.8 50 66 A T E > -A 40 0A 24 -2,-0.3 4,-2.8 -10,-0.3 5,-0.3 -0.414 38.3 -99.2 -82.3 170.1 28.3 117.4 53.0 51 67 A Y H > S+ 0 0 0 -12,-2.5 4,-2.5 -15,-0.3 -13,-0.2 0.918 126.2 49.3 -56.2 -43.3 25.2 115.8 51.4 52 68 A H H > S+ 0 0 32 -15,-3.0 4,-2.8 -13,-0.2 -1,-0.2 0.940 112.0 46.4 -61.5 -50.5 23.2 118.8 52.3 53 69 A E H > S+ 0 0 84 -16,-0.4 4,-2.2 1,-0.2 5,-0.2 0.911 114.3 47.5 -60.4 -44.7 25.7 121.3 50.9 54 70 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.922 112.5 50.9 -62.6 -42.2 26.0 119.3 47.7 55 71 A N H X S+ 0 0 11 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.936 109.5 49.5 -61.7 -47.9 22.3 119.0 47.4 56 72 A V H X S+ 0 0 23 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.941 112.1 47.0 -57.2 -51.1 21.7 122.7 47.9 57 73 A K H X S+ 0 0 92 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.885 112.8 49.9 -61.4 -37.1 24.2 123.7 45.2 58 74 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.891 111.7 48.6 -67.2 -39.8 22.8 121.1 42.8 59 75 A N H X S+ 0 0 0 -4,-2.5 4,-1.6 97,-0.2 -2,-0.2 0.925 110.6 50.9 -66.4 -43.7 19.3 122.4 43.4 60 76 A Q H X S+ 0 0 24 -4,-2.8 4,-1.0 1,-0.2 3,-0.4 0.950 114.2 42.5 -58.7 -52.7 20.3 126.1 42.9 61 77 A L H >X S+ 0 0 5 -4,-2.2 4,-1.8 1,-0.2 3,-0.7 0.892 108.8 60.1 -62.6 -39.6 22.1 125.4 39.6 62 78 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 -1,-0.2 0.851 98.8 58.2 -58.3 -34.1 19.2 123.1 38.5 63 79 A R H 3X S+ 0 0 49 -4,-1.6 4,-1.3 -3,-0.4 -1,-0.3 0.862 104.7 50.7 -66.2 -30.9 16.8 126.1 38.8 64 80 A I H S+ 0 0 0 -4,-1.8 5,-2.7 1,-0.2 3,-0.4 0.910 104.8 58.0 -61.3 -41.7 18.8 125.0 33.9 66 82 A I H ><5S+ 0 0 71 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.884 106.9 46.2 -58.6 -41.5 15.0 124.9 34.2 67 83 A E H 3<5S+ 0 0 118 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.766 107.5 57.4 -72.7 -29.6 14.6 128.5 33.0 68 84 A K T 3<5S- 0 0 74 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.241 128.2 -95.1 -87.2 14.3 17.0 128.0 30.1 69 85 A G T < 5S+ 0 0 46 -3,-1.2 2,-0.7 1,-0.2 -3,-0.2 0.581 70.4 152.2 89.4 11.4 14.9 125.2 28.8 70 86 A I < + 0 0 5 -5,-2.7 -1,-0.2 -6,-0.1 2,-0.2 -0.668 27.0 123.4 -78.1 114.9 16.5 122.1 30.3 71 87 A G > + 0 0 20 -2,-0.7 3,-2.5 26,-0.2 28,-0.2 -0.638 53.1 1.6-147.0-154.9 13.8 119.4 30.8 72 88 A K T 3 S- 0 0 116 1,-0.3 26,-0.2 -2,-0.2 -1,-0.1 -0.127 128.5 -14.2 -48.6 115.5 12.8 115.9 29.9 73 89 A D T 3 S+ 0 0 44 24,-1.0 2,-0.3 95,-0.3 -1,-0.3 0.597 91.3 150.2 65.2 14.5 15.5 114.1 27.8 74 90 A T < - 0 0 28 -3,-2.5 25,-3.0 23,-0.3 2,-0.5 -0.619 43.4-132.9 -72.3 133.0 17.3 117.4 27.0 75 91 A L E -i 99 0B 8 -2,-0.3 48,-1.0 23,-0.2 47,-0.9 -0.805 21.0-170.2 -95.2 129.7 20.9 116.6 26.6 76 92 A V E -ij 100 123B 0 23,-2.4 25,-2.4 -2,-0.5 48,-0.2 -0.968 14.8-143.4-120.1 111.2 23.5 118.8 28.4 77 93 A G E -ij 101 124B 0 46,-2.8 48,-3.2 -2,-0.5 2,-0.4 -0.512 14.8-157.3 -69.6 139.8 27.1 118.4 27.5 78 94 A I E +ij 102 125B 1 23,-2.2 25,-2.7 46,-0.2 2,-0.4 -0.992 19.4 170.3-124.5 126.4 29.4 118.8 30.4 79 95 A M E + j 0 126B 2 46,-2.9 48,-0.6 -2,-0.4 2,-0.3 -0.791 27.3 137.2-135.4 86.1 33.1 119.7 30.0 80 96 A M - 0 0 4 -2,-0.4 25,-0.4 23,-0.3 3,-0.1 -0.937 56.6 -92.7-134.8 154.8 34.6 120.5 33.3 81 97 A E - 0 0 87 -2,-0.3 2,-0.7 1,-0.1 5,-0.4 -0.277 57.3 -89.6 -59.8 149.5 37.8 119.8 35.2 82 98 A K S S+ 0 0 51 4,-0.1 2,-0.3 3,-0.1 -1,-0.1 -0.561 87.8 113.9 -63.1 109.7 37.7 116.8 37.5 83 99 A S S > S- 0 0 22 -2,-0.7 4,-1.0 -3,-0.1 3,-0.4 -0.963 84.8 -85.2-166.9 175.3 36.5 118.6 40.6 84 100 A I H >> S+ 0 0 17 -2,-0.3 4,-1.7 1,-0.2 3,-0.5 0.891 122.2 61.6 -63.1 -38.3 33.6 118.9 43.0 85 101 A D H 3> S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.834 95.3 60.6 -57.6 -36.8 31.9 121.4 40.6 86 102 A L H 3> S+ 0 0 4 -3,-0.4 4,-2.0 -5,-0.4 -1,-0.2 0.916 107.5 44.9 -56.9 -43.5 31.7 118.8 37.9 87 103 A F H S+ 0 0 0 -4,-2.4 5,-2.2 2,-0.2 4,-0.4 0.946 113.2 47.0 -63.9 -46.6 21.3 118.4 35.1 94 110 A L H ><5S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.910 111.5 51.1 -60.7 -44.6 19.5 115.3 36.6 95 111 A K H 3<5S+ 0 0 3 -4,-2.9 66,-0.4 1,-0.3 -1,-0.2 0.851 104.0 57.9 -62.1 -34.4 17.5 117.5 39.0 96 112 A A T 3<5S- 0 0 1 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.563 122.5-107.5 -72.9 -8.1 16.4 119.7 36.1 97 113 A G T < 5S+ 0 0 2 -3,-1.3 -24,-1.0 -4,-0.4 -23,-0.3 0.512 82.7 113.5 94.1 6.2 14.9 116.6 34.4 98 114 A G < - 0 0 0 -5,-2.2 2,-0.3 -26,-0.2 -1,-0.3 -0.350 62.4-117.1-101.3-176.3 17.6 116.4 31.7 99 115 A A E -i 75 0B 0 -25,-3.0 -23,-2.4 -28,-0.2 2,-0.3 -0.925 23.9-131.6-121.0 146.5 20.4 114.0 30.8 100 116 A Y E -ik 76 170B 2 69,-2.1 71,-2.0 -2,-0.3 -23,-0.2 -0.762 6.0-156.3-104.6 146.3 24.1 114.7 30.7 101 117 A V E -i 77 0B 0 -25,-2.4 -23,-2.2 -2,-0.3 2,-0.2 -0.920 23.6-143.7-115.8 98.4 26.7 114.0 28.0 102 118 A P E -i 78 0B 6 0, 0.0 2,-0.5 0, 0.0 71,-0.2 -0.442 16.3-171.7 -67.1 132.3 30.1 113.8 29.8 103 119 A I - 0 0 0 -25,-2.7 -23,-0.3 -2,-0.2 2,-0.2 -0.957 19.8-136.6-126.6 109.5 33.0 115.2 27.7 104 120 A D > - 0 0 34 -2,-0.5 3,-1.1 1,-0.1 -23,-0.1 -0.470 7.2-144.9 -65.6 134.6 36.4 114.7 29.2 105 121 A I T 3 S+ 0 0 29 -25,-0.4 -1,-0.1 1,-0.3 -24,-0.1 0.660 95.5 69.8 -77.6 -15.4 38.4 117.8 28.9 106 122 A E T 3 S+ 0 0 90 2,-0.0 -1,-0.3 0, 0.0 -2,-0.1 0.449 84.4 106.9 -77.7 -0.3 41.7 115.9 28.3 107 123 A Y S < S- 0 0 44 -3,-1.1 2,-0.1 1,-0.1 -4,-0.0 -0.448 75.8-106.5 -81.0 155.1 40.1 114.9 24.9 108 124 A P >> - 0 0 91 0, 0.0 4,-1.3 0, 0.0 3,-1.0 -0.400 32.7-107.0 -78.6 156.9 41.1 116.2 21.4 109 125 A K H 3> S+ 0 0 51 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.849 115.0 61.4 -49.6 -46.9 38.9 118.7 19.5 110 126 A E H 3> S+ 0 0 83 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.867 105.5 46.3 -50.9 -44.3 37.7 116.1 17.0 111 127 A R H <> S+ 0 0 45 -3,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.822 108.8 54.6 -71.2 -32.5 36.1 114.0 19.7 112 128 A I H X S+ 0 0 6 -4,-1.3 4,-2.5 -3,-0.4 -1,-0.2 0.867 109.0 49.8 -70.7 -32.1 34.4 117.0 21.3 113 129 A Q H X S+ 0 0 61 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.818 109.3 49.9 -75.6 -34.1 32.8 117.9 18.0 114 130 A Y H X S+ 0 0 85 -4,-1.4 4,-3.3 -5,-0.2 5,-0.4 0.941 114.3 44.9 -69.9 -44.7 31.5 114.4 17.3 115 131 A I H X S+ 0 0 4 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.961 119.3 42.5 -61.2 -48.7 29.9 114.3 20.8 116 132 A L H X>S+ 0 0 12 -4,-2.5 4,-1.1 2,-0.2 5,-0.5 0.877 121.0 40.4 -65.5 -42.8 28.5 117.8 20.4 117 133 A D H <5S+ 0 0 66 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.923 120.8 43.1 -73.1 -45.5 27.4 117.3 16.7 118 134 A D H <5S+ 0 0 31 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.960 120.2 40.3 -65.0 -54.1 26.1 113.8 17.3 119 135 A S H <5S- 0 0 2 -4,-2.8 -1,-0.2 -5,-0.4 -3,-0.2 0.778 91.5-151.8 -65.6 -28.3 24.4 114.5 20.6 120 136 A Q T <5 - 0 0 75 -4,-1.1 -45,-0.2 -5,-0.3 -3,-0.2 0.870 21.4-164.5 54.8 39.5 23.2 117.8 19.2 121 137 A A < - 0 0 5 -5,-0.5 20,-0.3 -6,-0.3 -1,-0.2 -0.323 20.5-151.2 -58.5 129.6 23.2 119.0 22.9 122 138 A R S S+ 0 0 64 -47,-0.9 20,-1.5 -3,-0.1 2,-0.3 0.661 80.8 36.1 -75.6 -17.0 21.3 122.3 23.3 123 139 A M E -jl 76 142B 0 -48,-1.0 -46,-2.8 18,-0.2 2,-0.5 -0.996 59.7-163.3-140.7 145.7 23.5 123.2 26.2 124 140 A L E -jl 77 143B 1 18,-2.3 20,-2.0 -2,-0.3 2,-0.5 -0.965 11.4-157.6-128.4 110.5 27.2 122.9 27.2 125 141 A L E +jl 78 144B 0 -48,-3.2 -46,-2.9 -2,-0.5 2,-0.2 -0.783 34.2 138.7 -86.5 126.8 28.1 123.4 30.8 126 142 A T E -jl 79 145B 3 18,-2.6 20,-2.9 -2,-0.5 2,-0.3 -0.801 46.7 -96.3-148.6-169.3 31.8 124.3 31.2 127 143 A Q >> - 0 0 18 -48,-0.6 3,-1.7 -2,-0.2 4,-0.5 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