==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-OCT-10 3PEB . COMPND 2 MOLECULE: DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS THERMOPHILUS; . AUTHOR M.E.CUFF,J.C.MACK,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER FOR S . 132 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 91 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 6.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 13 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 0 0 0 2 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 1 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 . 0 0 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 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 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 0 A A 0 0 160 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -53.3 15.6 14.3 17.0 2 1 A X - 0 0 110 1,-0.1 2,-0.0 4,-0.1 0, 0.0 -0.486 360.0-143.0 -75.1 128.5 14.7 16.3 13.8 3 2 A S > - 0 0 52 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.257 31.3-104.5 -73.7 169.6 15.8 14.9 10.4 4 3 A K H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.887 125.7 50.8 -67.4 -36.6 16.9 17.4 7.7 5 4 A L H > S+ 0 0 22 26,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.860 106.4 55.5 -66.6 -35.1 13.5 16.9 5.9 6 5 A D H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.877 106.4 51.5 -58.4 -40.4 11.8 17.7 9.3 7 6 A R H X S+ 0 0 91 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.883 108.7 49.9 -67.9 -39.1 13.7 21.0 9.4 8 7 A I H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.927 111.8 48.7 -62.0 -46.6 12.6 21.9 5.8 9 8 A R H X S+ 0 0 55 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.885 109.7 51.6 -64.1 -36.5 9.0 21.1 6.8 10 9 A H H X S+ 0 0 91 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.918 110.7 49.0 -63.4 -44.8 9.3 23.3 10.0 11 10 A F H X S+ 0 0 27 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.920 111.2 49.4 -60.1 -45.0 10.6 26.1 7.9 12 11 A L H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 3,-0.4 0.939 111.9 49.0 -58.8 -47.5 7.8 25.8 5.4 13 12 A N H ><5S+ 0 0 97 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.912 108.5 52.0 -61.6 -46.6 5.2 25.7 8.3 14 13 A E H 3<5S+ 0 0 118 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.810 114.8 44.8 -54.5 -33.5 6.7 28.9 9.9 15 14 A N T 3<5S- 0 0 60 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.200 113.8-114.0-104.0 13.8 6.5 30.7 6.6 16 15 A K T < 5 + 0 0 166 -3,-1.4 2,-0.4 1,-0.2 81,-0.2 0.803 68.8 141.1 58.8 35.2 2.9 29.5 5.6 17 16 A S < - 0 0 0 -5,-2.7 -1,-0.2 -6,-0.1 81,-0.2 -0.914 43.8-160.8-111.1 135.1 4.2 27.5 2.7 18 17 A G S S+ 0 0 20 79,-0.9 31,-2.4 -2,-0.4 32,-0.4 0.543 72.6 27.9 -87.9 -6.5 2.8 24.1 1.7 19 18 A L E -Ab 48 98A 0 78,-0.8 80,-2.7 29,-0.3 2,-0.5 -0.970 50.1-158.1-161.3 134.5 5.8 23.0 -0.4 20 19 A A E -Ab 47 99A 0 27,-2.5 27,-2.9 -2,-0.3 2,-0.6 -0.968 15.3-156.5-107.3 135.5 9.5 23.2 -1.1 21 20 A I E -Ab 46 100A 0 78,-3.2 80,-0.8 -2,-0.5 2,-0.5 -0.939 11.3-163.1-111.1 110.6 10.8 22.3 -4.5 22 21 A V E +A 45 0A 0 23,-3.0 23,-2.8 -2,-0.6 78,-0.0 -0.842 22.2 159.4-100.0 125.0 14.4 21.3 -4.2 23 22 A S + 0 0 2 -2,-0.5 -1,-0.1 21,-0.2 20,-0.1 0.615 40.3 98.5-118.6 -24.4 16.4 21.3 -7.5 24 23 A D > - 0 0 43 1,-0.2 4,-2.6 2,-0.0 3,-0.3 -0.597 64.2-145.2 -74.8 121.9 20.1 21.6 -6.6 25 24 A P H > S+ 0 0 30 0, 0.0 4,-2.4 0, 0.0 11,-0.3 0.843 101.2 56.8 -56.0 -32.1 21.6 18.0 -6.8 26 25 A V H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.927 110.0 44.4 -63.5 -43.0 23.9 19.0 -3.9 27 26 A T H > S+ 0 0 1 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.889 110.2 54.4 -68.8 -41.3 20.8 19.9 -1.8 28 27 A V H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 6,-0.5 0.950 112.9 43.4 -57.1 -49.0 18.9 16.8 -2.8 29 28 A N H X S+ 0 0 61 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.920 112.9 53.1 -61.6 -43.6 21.9 14.6 -1.7 30 29 A Y H < S+ 0 0 42 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.935 116.8 37.5 -56.6 -45.2 22.3 16.7 1.5 31 30 A L H < S+ 0 0 12 -4,-2.8 -26,-0.3 1,-0.1 -1,-0.2 0.736 136.0 14.2 -80.1 -28.1 18.6 16.2 2.5 32 31 A T H < S- 0 0 29 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.576 89.4-118.3-128.7 -17.4 18.1 12.6 1.4 33 32 A G S < S+ 0 0 54 -4,-2.4 2,-0.6 -5,-0.4 -4,-0.2 0.445 72.5 128.4 80.8 1.4 21.4 10.8 0.7 34 33 A F - 0 0 2 -6,-0.5 2,-0.6 2,-0.0 -1,-0.3 -0.834 44.0-161.1 -91.2 119.4 20.4 10.3 -3.0 35 34 A D + 0 0 99 -2,-0.6 2,-0.3 -6,-0.1 -9,-0.1 -0.892 23.4 150.9-108.9 116.1 23.2 11.5 -5.2 36 35 A C - 0 0 4 -2,-0.6 -7,-0.1 -11,-0.3 -8,-0.1 -0.973 35.3-157.8-150.0 128.2 22.4 12.3 -8.8 37 36 A D - 0 0 96 -2,-0.3 3,-0.1 1,-0.1 -2,-0.0 -0.937 11.3-172.4 -99.7 109.6 23.6 14.6 -11.6 38 37 A P > - 0 0 8 0, 0.0 3,-2.8 0, 0.0 2,-0.2 0.416 17.6-159.3 -80.3 -1.3 20.6 14.8 -14.0 39 38 A H T 3 S- 0 0 131 1,-0.3 -3,-0.0 -3,-0.0 0, 0.0 -0.356 72.5 -14.4 58.4-115.5 22.8 16.8 -16.5 40 39 A E T 3 S+ 0 0 171 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.443 119.9 94.9 -97.4 4.4 20.2 18.6 -18.7 41 40 A R S < S- 0 0 94 -3,-2.8 2,-0.4 1,-0.1 37,-0.0 -0.351 82.3 -90.9 -89.2 172.8 17.2 16.5 -17.6 42 41 A Q + 0 0 21 -2,-0.1 2,-0.3 15,-0.1 34,-0.1 -0.666 42.6 164.7 -88.3 133.2 14.7 17.3 -14.9 43 42 A X + 0 0 1 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.954 6.8 167.9-139.8 131.6 15.0 16.3 -11.2 44 43 A F E - C 0 56A 0 12,-2.0 12,-2.8 -2,-0.3 2,-0.6 -0.989 24.8-150.6-142.3 134.4 13.0 17.8 -8.4 45 44 A L E -AC 22 55A 0 -23,-2.8 -23,-3.0 -2,-0.3 2,-0.8 -0.935 16.5-153.7-101.0 122.0 12.4 16.8 -4.8 46 45 A F E -AC 21 54A 0 8,-3.3 8,-1.7 -2,-0.6 2,-0.9 -0.854 10.3-172.1-100.5 104.9 9.0 17.9 -3.6 47 46 A V E -A 20 0A 0 -27,-2.9 -27,-2.5 -2,-0.8 2,-0.2 -0.847 11.3-158.9-101.6 96.3 9.0 18.4 0.1 48 47 A Y E -A 19 0A 12 -2,-0.9 -29,-0.3 -29,-0.2 3,-0.3 -0.457 20.0-132.3 -71.3 148.4 5.4 19.0 1.2 49 48 A E S S+ 0 0 56 -31,-2.4 -30,-0.1 1,-0.2 -1,-0.1 0.897 103.0 10.6 -65.3 -43.4 4.6 20.7 4.5 50 49 A N S S+ 0 0 154 -32,-0.4 2,-0.3 2,-0.1 -1,-0.2 -0.117 119.7 65.2-137.3 38.1 2.0 18.1 5.5 51 50 A R S S- 0 0 136 -3,-0.3 -3,-0.2 0, 0.0 0, 0.0 -0.947 91.2 -85.4-143.9 163.8 2.4 15.2 3.1 52 51 A E - 0 0 123 -2,-0.3 -4,-0.2 1,-0.1 -2,-0.1 -0.320 53.5-107.2 -63.1 150.0 5.2 12.7 2.4 53 52 A P - 0 0 9 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.265 28.7-153.7 -70.6 169.2 7.7 13.9 -0.1 54 53 A A E -C 46 0A 12 -8,-1.7 -8,-3.3 17,-0.1 2,-0.5 -0.987 3.4-147.6-140.8 144.9 8.1 12.7 -3.7 55 54 A L E -Cd 45 73A 0 17,-2.2 19,-2.6 -2,-0.3 2,-0.4 -0.944 7.0-161.7-113.0 132.2 11.2 12.7 -6.0 56 55 A F E +Cd 44 74A 0 -12,-2.8 -12,-2.0 -2,-0.5 19,-0.2 -0.952 25.1 152.2-112.4 127.9 10.9 13.2 -9.7 57 56 A V E - d 0 75A 0 17,-2.0 19,-0.9 -2,-0.4 -14,-0.2 -0.914 52.7 -71.1-143.0 165.4 13.9 12.0 -11.8 58 57 A P E > - d 0 76A 8 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.426 53.4-111.2 -54.9 147.3 14.7 10.7 -15.3 59 58 A A G >> S+ 0 0 38 17,-3.2 3,-1.6 1,-0.3 4,-0.5 0.815 115.1 67.4 -50.1 -40.1 13.3 7.2 -15.6 60 59 A L G 34 S+ 0 0 151 16,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.766 104.6 44.0 -51.0 -30.7 16.9 5.8 -15.8 61 60 A E G <> S+ 0 0 33 -3,-2.1 4,-2.5 1,-0.1 -1,-0.3 0.457 86.6 91.6 -96.1 -6.9 17.3 6.8 -12.1 62 61 A V H <> S+ 0 0 37 -3,-1.6 4,-2.8 -4,-0.4 5,-0.2 0.899 85.6 49.8 -62.2 -44.7 14.0 5.6 -10.7 63 62 A A H X S+ 0 0 81 -4,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.934 115.1 43.3 -60.1 -48.2 15.2 2.1 -9.7 64 63 A R H > S+ 0 0 112 -4,-0.3 4,-0.8 2,-0.2 3,-0.3 0.933 115.5 47.7 -65.2 -45.9 18.3 3.4 -7.8 65 64 A A H >X S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-1.1 0.929 111.2 51.5 -60.8 -46.3 16.4 6.3 -6.1 66 65 A S H 3< S+ 0 0 58 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.785 103.9 59.4 -60.5 -30.9 13.7 3.9 -5.0 67 66 A S H 3< S+ 0 0 89 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.687 116.6 30.7 -73.5 -20.0 16.2 1.5 -3.5 68 67 A V H << S+ 0 0 84 -3,-1.3 2,-0.4 -4,-0.8 -2,-0.2 0.456 109.2 71.4-119.8 1.5 17.6 4.2 -1.1 69 68 A L < - 0 0 15 -4,-1.1 4,-0.1 -3,-0.1 -36,-0.0 -0.926 59.5-152.1-121.2 143.5 14.5 6.4 -0.4 70 69 A D S S+ 0 0 170 -2,-0.4 -4,-0.1 2,-0.1 -3,-0.0 0.064 75.9 66.7-105.3 26.3 11.5 5.5 1.7 71 70 A F S S- 0 0 30 -19,-0.1 -17,-0.1 1,-0.0 -2,-0.1 -0.872 99.9 -61.8-133.9 169.9 9.0 7.8 -0.1 72 71 A P - 0 0 59 0, 0.0 -17,-2.2 0, 0.0 2,-0.4 -0.218 44.5-169.3 -62.9 138.2 7.6 7.8 -3.6 73 72 A V E +d 55 0A 23 -19,-0.2 2,-0.3 -4,-0.1 -17,-0.2 -0.986 11.0 171.0-121.5 134.3 9.9 8.2 -6.6 74 73 A F E +d 56 0A 41 -19,-2.6 -17,-2.0 -2,-0.4 2,-0.2 -0.937 4.3 175.1-140.1 162.7 8.6 8.7 -10.1 75 74 A G E -d 57 0A 8 -2,-0.3 2,-0.3 -19,-0.2 -32,-0.0 -0.830 21.2-119.5-151.8-170.6 10.1 9.6 -13.5 76 75 A Y E -d 58 0A 15 -19,-0.9 -17,-3.2 -2,-0.2 -16,-0.3 -0.995 14.5-136.9-146.5 142.1 9.9 10.2 -17.2 77 76 A V > - 0 0 72 -2,-0.3 3,-2.4 -19,-0.2 0, 0.0 -0.569 43.0-100.2 -88.1 163.3 11.5 8.7 -20.4 78 77 A D T 3 S+ 0 0 108 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.677 120.2 63.5 -68.2 -17.6 12.7 11.2 -23.1 79 78 A S T 3 S+ 0 0 116 2,-0.1 2,-0.3 0, 0.0 -1,-0.3 0.523 94.8 80.8 -75.6 -7.7 9.6 10.7 -25.2 80 79 A E S < S- 0 0 69 -3,-2.4 3,-0.1 4,-0.0 -4,-0.1 -0.788 85.2-119.2-103.9 147.4 7.5 12.2 -22.3 81 80 A N > - 0 0 70 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.713 21.9-152.1 -78.7 118.2 7.0 15.9 -21.4 82 81 A P H > S+ 0 0 21 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.875 92.4 54.0 -67.8 -31.0 8.4 16.1 -17.8 83 82 A W H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.906 110.3 47.1 -67.6 -42.8 6.1 19.0 -16.8 84 83 A Q H > S+ 0 0 138 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 112.0 51.1 -62.7 -42.1 3.0 17.0 -17.9 85 84 A K H X S+ 0 0 68 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.928 110.0 48.7 -62.9 -43.9 4.4 14.0 -16.0 86 85 A I H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.957 112.6 48.5 -57.5 -50.2 5.0 16.0 -12.8 87 86 A K H < S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.860 113.8 46.3 -58.3 -42.5 1.4 17.5 -13.0 88 87 A A H < S+ 0 0 88 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.801 115.7 46.8 -71.8 -29.5 -0.1 14.0 -13.6 89 88 A G H < S+ 0 0 47 -4,-2.1 2,-0.5 -5,-0.2 -2,-0.2 0.756 98.9 71.9 -87.3 -24.9 1.9 12.4 -10.7 90 89 A L < - 0 0 15 -4,-2.2 3,-0.1 -5,-0.2 -1,-0.0 -0.811 60.8-158.8 -97.1 128.6 1.4 15.0 -7.9 91 90 A A S S+ 0 0 95 -2,-0.5 2,-0.7 1,-0.2 -1,-0.2 0.872 82.3 51.4 -66.0 -37.3 -2.0 15.2 -6.2 92 91 A S + 0 0 22 1,-0.1 -1,-0.2 25,-0.0 3,-0.1 -0.890 49.4 139.9-115.8 113.6 -1.4 18.7 -5.0 93 92 A T + 0 0 9 -2,-0.7 25,-1.9 -3,-0.1 2,-0.8 0.304 55.3 86.8-126.7 3.5 -0.2 21.5 -7.3 94 93 A D E + e 0 118A 111 23,-0.2 25,-0.2 25,-0.0 -1,-0.1 -0.876 51.9 149.1-105.7 98.0 -2.3 24.4 -5.9 95 94 A I E - 0 0 9 23,-1.6 25,-0.1 -2,-0.8 3,-0.1 -0.987 42.4-144.8-134.3 117.8 -0.2 25.8 -3.1 96 95 A P E S+ 0 0 104 0, 0.0 24,-2.7 0, 0.0 2,-0.4 0.846 88.0 27.1 -56.8 -41.3 -0.4 29.5 -2.3 97 96 A I E S- e 0 120A 25 -81,-0.2 -79,-0.9 22,-0.2 -78,-0.8 -0.987 70.8-176.3-127.3 122.9 3.3 29.9 -1.3 98 97 A I E -be 19 121A 0 22,-3.2 24,-2.6 -2,-0.4 2,-0.4 -0.971 14.8-145.5-121.1 130.9 6.0 27.7 -2.8 99 98 A Y E +be 20 122A 24 -80,-2.7 -78,-3.2 -2,-0.4 2,-0.3 -0.782 25.7 166.7 -95.1 138.5 9.7 27.7 -1.8 100 99 A A E -be 21 123A 0 22,-2.4 24,-3.2 -2,-0.4 2,-1.2 -0.949 45.0 -98.6-146.4 161.6 12.3 27.0 -4.5 101 100 A E >> - 0 0 4 -80,-0.8 4,-2.5 -2,-0.3 3,-1.3 -0.684 35.2-176.6 -89.6 96.1 16.1 27.4 -4.8 102 101 A F T 34 S+ 0 0 82 -2,-1.2 -1,-0.2 1,-0.3 8,-0.1 0.713 80.2 57.0 -68.6 -24.9 16.5 30.7 -6.8 103 102 A D T 34 S+ 0 0 127 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.713 117.2 35.3 -76.2 -17.9 20.3 30.4 -7.0 104 103 A N T <4 S+ 0 0 52 -3,-1.3 -2,-0.2 2,-0.1 2,-0.2 0.845 97.4 83.9-102.3 -45.8 20.0 27.0 -8.6 105 104 A L < - 0 0 20 -4,-2.5 2,-0.1 4,-0.1 -81,-0.0 -0.431 67.2-144.1 -64.3 129.1 16.9 27.1 -10.9 106 105 A N > - 0 0 76 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.449 29.5-104.8 -81.4 168.9 17.4 28.6 -14.3 107 106 A V H > S+ 0 0 102 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.882 119.5 58.8 -66.3 -34.8 14.6 30.6 -15.9 108 107 A T H > S+ 0 0 103 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 110.8 41.0 -58.7 -47.5 13.7 27.7 -18.2 109 108 A K H > S+ 0 0 31 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.883 113.1 53.9 -70.2 -38.8 13.0 25.4 -15.2 110 109 A F H X S+ 0 0 55 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 109.5 48.1 -59.4 -46.0 11.2 28.1 -13.3 111 110 A Q H X S+ 0 0 122 -4,-3.0 4,-0.9 2,-0.2 -2,-0.2 0.916 111.0 51.9 -61.1 -40.4 8.9 28.7 -16.3 112 111 A G H >X S+ 0 0 8 -4,-2.1 3,-1.1 1,-0.2 4,-0.7 0.938 109.7 48.4 -59.6 -48.1 8.3 25.0 -16.5 113 112 A L H >X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.3 3,-0.9 0.860 105.8 59.0 -62.5 -35.6 7.4 24.8 -12.8 114 113 A Q H 3< S+ 0 0 96 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.741 99.5 56.9 -67.4 -21.2 5.1 27.8 -13.3 115 114 A T H << S+ 0 0 106 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.729 116.4 36.4 -77.2 -21.9 3.1 25.7 -15.9 116 115 A V H << S+ 0 0 5 -3,-0.9 2,-0.4 -4,-0.7 -2,-0.2 0.858 112.4 58.9 -91.8 -48.9 2.5 23.0 -13.2 117 116 A F < - 0 0 6 -4,-3.0 2,-0.7 -23,-0.1 -23,-0.2 -0.760 60.7-153.8-101.5 130.8 2.0 25.0 -10.0 118 117 A E E +e 94 0A 138 -25,-1.9 -23,-1.6 -2,-0.4 2,-0.3 -0.910 60.6 65.9 -95.1 110.3 -0.5 27.7 -9.2 119 118 A G E S- 0 0 38 -2,-0.7 2,-0.4 -25,-0.2 -22,-0.2 -0.890 82.5 -65.6 161.3-179.4 1.1 29.9 -6.5 120 119 A R E -e 97 0A 138 -24,-2.7 -22,-3.2 -2,-0.3 2,-0.4 -0.760 43.0-138.9 -96.6 133.0 3.7 32.4 -5.5 121 120 A F E -e 98 0A 24 -2,-0.4 2,-0.3 -24,-0.2 -22,-0.2 -0.747 18.9-176.3 -98.5 141.1 7.3 31.4 -5.3 122 121 A E E -e 99 0A 69 -24,-2.6 -22,-2.4 -2,-0.4 2,-0.5 -0.873 34.6 -92.8-129.9 160.3 9.8 32.5 -2.6 123 122 A N E +e 100 0A 50 -2,-0.3 4,-0.3 -24,-0.2 -22,-0.2 -0.669 32.4 175.7 -89.4 118.6 13.5 31.8 -2.2 124 123 A L > + 0 0 0 -24,-3.2 4,-2.1 -2,-0.5 3,-0.2 0.548 61.6 91.7 -87.0 -15.3 14.7 28.7 -0.3 125 124 A T H > S+ 0 0 9 -25,-0.6 4,-2.4 1,-0.2 5,-0.2 0.879 81.5 52.8 -58.9 -43.1 18.3 29.2 -1.0 126 125 A P H > S+ 0 0 76 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.932 110.3 49.0 -58.9 -41.4 19.1 31.3 2.1 127 126 A F H > S+ 0 0 34 -4,-0.3 4,-2.6 -3,-0.2 -2,-0.2 0.914 108.0 54.0 -63.0 -41.3 17.6 28.7 4.4 128 127 A I H X S+ 0 0 4 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.933 110.2 47.0 -59.7 -45.3 19.6 25.9 2.7 129 128 A H H < S+ 0 0 121 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.915 110.3 53.5 -60.4 -42.4 22.8 27.8 3.4 130 129 A K H < S+ 0 0 175 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.904 104.5 54.9 -58.7 -42.8 21.7 28.4 7.0 131 130 A X H < 0 0 17 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.827 360.0 360.0 -59.0 -33.9 21.2 24.6 7.5 132 131 A R < 0 0 155 -4,-1.2 -3,-0.2 -3,-0.5 -2,-0.1 0.746 360.0 360.0-107.8 360.0 24.7 24.0 6.3