==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUN-03 1PU2 . COMPND 2 MOLECULE: ASPARTATE-SEMIALDEHYDE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HAEMOPHILUS INFLUENZAE; . AUTHOR J.BLANCO,R.A.MOORE,C.R.FAEHNLE,D.M.COE,R.E.VIOLA . 357 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 1 0.3 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 . 23 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 29.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.5 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 1 2 0 1 0 1 0 0 3 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 5 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 0 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 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 1 A M 0 0 174 0, 0.0 29,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 144.5 71.1 -9.6 -67.2 2 2 A K - 0 0 91 27,-0.5 29,-2.9 355,-0.3 2,-0.8 -0.443 360.0-127.0 -75.1 139.2 72.2 -13.2 -68.1 3 3 A N E -a 31 0A 57 27,-0.2 52,-2.2 -2,-0.2 53,-1.7 -0.826 34.7-171.6 -90.7 106.7 71.7 -16.0 -65.6 4 4 A V E -ab 32 56A 0 27,-2.4 29,-2.6 -2,-0.8 2,-0.3 -0.911 11.6-152.3-110.4 127.2 75.2 -17.6 -65.4 5 5 A G E -ab 33 57A 0 51,-2.8 53,-2.9 -2,-0.5 2,-0.5 -0.712 5.8-156.1 -97.1 143.6 76.0 -20.9 -63.5 6 6 A F E +ab 34 58A 3 27,-2.2 29,-2.4 -2,-0.3 2,-0.4 -0.977 11.7 178.7-124.9 119.6 79.4 -21.7 -62.1 7 7 A I E S+ b 0 59A 2 51,-2.5 53,-2.4 -2,-0.5 54,-0.4 -0.954 70.2 17.5-118.9 137.3 80.7 -25.2 -61.4 8 8 A G S > S+ 0 0 7 -2,-0.4 3,-0.9 27,-0.4 6,-0.5 0.721 74.3 142.5 76.8 24.3 84.1 -26.1 -60.0 9 9 A W T 3 + 0 0 66 26,-0.3 9,-0.2 1,-0.2 -2,-0.1 0.538 67.4 54.8 -71.7 -12.6 84.7 -22.5 -58.7 10 10 A R T 3 S+ 0 0 202 4,-0.1 -1,-0.2 5,-0.1 -2,-0.0 0.513 91.0 90.9 -97.4 -12.1 86.4 -23.8 -55.5 11 11 A G S <> S- 0 0 38 -3,-0.9 4,-2.5 1,-0.0 5,-0.2 -0.123 97.4 -90.1 -74.4-179.0 89.1 -25.9 -57.4 12 12 A M H > S+ 0 0 55 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.962 126.5 36.0 -60.6 -55.0 92.5 -24.5 -58.4 13 13 A V H > S+ 0 0 35 1,-0.2 4,-2.0 47,-0.2 -1,-0.2 0.905 119.1 52.8 -63.7 -40.6 91.5 -23.1 -61.9 14 14 A G H > S+ 0 0 0 -6,-0.5 4,-2.4 46,-0.3 -1,-0.2 0.870 106.3 52.4 -63.2 -38.4 88.1 -22.1 -60.6 15 15 A S H X S+ 0 0 47 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.853 108.7 49.5 -67.1 -36.4 89.6 -20.2 -57.7 16 16 A V H X S+ 0 0 18 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.893 110.7 51.8 -69.0 -38.1 91.8 -18.2 -60.1 17 17 A L H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.930 110.1 48.3 -63.4 -44.5 88.7 -17.5 -62.2 18 18 A M H X S+ 0 0 22 -4,-2.4 4,-1.4 -9,-0.2 -1,-0.2 0.839 112.9 47.8 -65.3 -35.8 86.8 -16.2 -59.1 19 19 A D H X S+ 0 0 100 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.939 114.3 46.2 -70.9 -45.0 89.8 -14.0 -58.1 20 20 A R H X S+ 0 0 17 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.844 112.4 49.8 -65.3 -38.6 90.1 -12.6 -61.7 21 21 A M H <>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 6,-0.5 0.840 112.2 48.3 -69.8 -33.3 86.4 -11.9 -62.1 22 22 A S H ><5S+ 0 0 71 -4,-1.4 3,-0.7 -5,-0.2 -2,-0.2 0.850 110.4 52.4 -72.8 -36.7 86.3 -10.1 -58.7 23 23 A Q H 3<5S+ 0 0 126 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.878 115.9 38.9 -66.4 -39.4 89.4 -8.1 -59.7 24 24 A E T 3<5S- 0 0 92 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.248 108.5-123.8 -96.2 11.6 87.7 -7.0 -63.0 25 25 A N T X 5 + 0 0 112 -3,-0.7 3,-1.7 1,-0.1 -3,-0.2 0.671 56.4 153.4 50.0 30.5 84.2 -6.6 -61.3 26 26 A D G > < + 0 0 6 -5,-1.9 3,-1.0 1,-0.3 -4,-0.1 0.585 57.6 71.3 -60.8 -18.8 82.6 -9.0 -63.8 27 27 A F G > S+ 0 0 49 -6,-0.5 3,-0.8 1,-0.2 -1,-0.3 0.677 84.9 68.1 -74.1 -17.9 79.9 -10.1 -61.3 28 28 A E G < S+ 0 0 154 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.577 98.5 53.2 -76.5 -9.4 78.2 -6.7 -61.7 29 29 A N G < S+ 0 0 80 -3,-1.0 -27,-0.5 -4,-0.2 2,-0.3 0.363 113.5 31.6-106.8 1.1 77.3 -7.6 -65.4 30 30 A L S < S- 0 0 6 -3,-0.8 -27,-0.2 -29,-0.2 327,-0.0 -0.927 78.9-105.9-149.6 171.0 75.6 -11.0 -64.7 31 31 A N E -a 3 0A 70 -29,-2.9 -27,-2.4 -2,-0.3 2,-0.4 -0.904 39.8-147.7-105.7 104.9 73.5 -13.0 -62.3 32 32 A P E -a 4 0A 43 0, 0.0 2,-0.5 0, 0.0 -27,-0.2 -0.586 16.7-176.2 -81.7 126.9 75.7 -15.6 -60.6 33 33 A V E -a 5 0A 18 -29,-2.6 -27,-2.2 -2,-0.4 2,-0.4 -0.988 16.8-148.8-120.3 117.4 74.3 -19.0 -59.6 34 34 A F E -a 6 0A 57 -2,-0.5 9,-1.5 -29,-0.2 2,-0.3 -0.760 11.5-163.6 -96.3 134.8 76.8 -21.2 -57.7 35 35 A F E -f 43 0B 1 -29,-2.4 -27,-0.4 -2,-0.4 2,-0.3 -0.788 3.7-165.1-113.5 159.0 76.8 -25.0 -57.9 36 36 A T E -f 44 0B 39 7,-2.1 9,-2.7 -2,-0.3 10,-0.3 -0.967 25.8-151.1-142.7 150.5 78.3 -27.8 -55.8 37 37 A T S S+ 0 0 61 -2,-0.3 7,-0.1 7,-0.2 2,-0.1 0.528 74.0 105.3 -93.5 -9.8 79.0 -31.5 -56.2 38 38 A S - 0 0 64 1,-0.1 -2,-0.1 -3,-0.0 7,-0.1 -0.322 56.6-162.2 -75.3 147.9 78.7 -31.8 -52.4 39 39 A Q 0 0 211 -2,-0.1 -1,-0.1 5,-0.1 5,-0.0 0.065 360.0 360.0-113.5 17.6 75.7 -33.2 -50.5 40 40 A A 0 0 134 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.765 360.0 360.0-115.3 360.0 76.8 -31.5 -47.2 41 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 42 55 A L 0 0 152 0, 0.0 -7,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 131.8 73.7 -23.6 -53.0 43 56 A K E -f 35 0B 79 -9,-1.5 -7,-2.1 1,-0.1 2,-0.4 -0.377 360.0-100.3 -87.7 162.4 72.4 -25.8 -55.8 44 57 A S E > -f 36 0B 50 -9,-0.2 3,-1.6 1,-0.1 -7,-0.2 -0.700 16.8-146.5 -84.9 126.7 73.4 -29.3 -57.0 45 58 A A T 3 S+ 0 0 0 -9,-2.7 -8,-0.1 -2,-0.4 -1,-0.1 0.552 101.0 54.8 -66.3 -9.5 75.7 -29.5 -60.1 46 59 A F T 3 S+ 0 0 86 -10,-0.3 2,-1.2 1,-0.0 -1,-0.3 0.410 77.0 107.3-104.7 -2.1 73.9 -32.7 -61.1 47 60 A D <> - 0 0 68 -3,-1.6 4,-1.6 1,-0.2 3,-0.4 -0.675 48.6-172.2 -83.6 94.7 70.4 -31.1 -61.1 48 61 A I H > S+ 0 0 25 -2,-1.2 4,-1.3 1,-0.2 -1,-0.2 0.751 82.8 57.4 -59.1 -26.4 69.6 -30.9 -64.8 49 62 A E H > S+ 0 0 128 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.909 107.8 44.1 -73.7 -42.5 66.4 -29.0 -64.0 50 63 A E H 4 S+ 0 0 56 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.776 114.7 50.8 -72.3 -28.4 68.2 -26.2 -62.1 51 64 A L H >< S+ 0 0 0 -4,-1.6 3,-1.1 1,-0.2 -1,-0.2 0.780 101.8 61.3 -78.8 -29.2 70.9 -26.0 -64.8 52 65 A K H 3< S+ 0 0 90 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.781 92.5 66.0 -69.3 -26.1 68.3 -25.8 -67.6 53 66 A K T 3< S+ 0 0 137 -4,-0.8 -1,-0.2 -3,-0.1 2,-0.2 0.568 89.9 91.3 -71.5 -10.5 67.0 -22.5 -66.1 54 67 A L < - 0 0 11 -3,-1.1 26,-0.3 1,-0.1 -50,-0.2 -0.570 64.2-151.7 -94.4 152.4 70.4 -20.8 -67.0 55 68 A D S S+ 0 0 59 -52,-2.2 26,-2.7 1,-0.3 2,-0.3 0.806 85.9 20.9 -84.5 -40.2 71.6 -18.9 -70.1 56 69 A I E -bc 4 81A 2 -53,-1.7 -51,-2.8 24,-0.2 2,-0.5 -0.991 62.6-157.5-135.3 141.0 75.3 -19.7 -69.7 57 70 A I E -bc 5 82A 0 24,-3.0 26,-3.7 -2,-0.3 2,-0.5 -0.992 8.6-168.7-119.5 124.0 77.1 -22.5 -67.8 58 71 A V E -bc 6 83A 1 -53,-2.9 -51,-2.5 -2,-0.5 2,-0.4 -0.976 12.9-176.9-115.6 118.5 80.8 -21.9 -66.9 59 72 A T E +bc 7 84A 0 24,-2.6 26,-1.8 -2,-0.5 27,-0.4 -0.967 32.8 160.2-127.6 137.1 82.7 -25.0 -65.6 60 73 A C + 0 0 23 -53,-2.4 -46,-0.3 -2,-0.4 -47,-0.2 0.084 55.9 106.6-128.1 13.7 86.2 -25.7 -64.3 61 74 A Q S S- 0 0 81 -54,-0.4 2,-0.2 1,-0.2 3,-0.1 0.847 82.1-105.1 -66.5 -39.0 85.1 -29.0 -62.6 62 75 A G >> - 0 0 24 1,-0.1 4,-1.9 2,-0.1 3,-0.7 -0.605 30.1 -71.2 131.0 167.0 86.8 -31.4 -65.1 63 76 A G H 3> S+ 0 0 21 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.851 121.5 61.5 -61.7 -37.9 86.2 -33.8 -67.9 64 77 A D H 34 S+ 0 0 149 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.755 110.1 43.0 -61.3 -28.7 84.5 -36.5 -65.8 65 78 A Y H X> S+ 0 0 10 -3,-0.7 4,-3.0 2,-0.2 3,-1.0 0.922 114.5 48.3 -79.3 -54.8 81.8 -33.9 -64.9 66 79 A T H 3X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.892 109.6 52.4 -53.4 -45.6 81.4 -32.5 -68.4 67 80 A N H 3< S+ 0 0 90 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.662 116.9 40.7 -69.5 -15.8 81.1 -36.0 -70.0 68 81 A E H <4 S+ 0 0 99 -3,-1.0 4,-0.5 -4,-0.2 -2,-0.2 0.835 126.4 29.5 -96.9 -43.5 78.4 -36.9 -67.5 69 82 A V H X S+ 0 0 2 -4,-3.0 4,-2.3 2,-0.1 5,-0.2 0.863 108.8 62.9 -88.5 -41.6 76.4 -33.7 -67.4 70 83 A Y H X S+ 0 0 22 -4,-2.2 4,-2.1 -5,-0.3 5,-0.2 0.903 104.9 45.8 -55.8 -49.5 76.8 -32.1 -70.9 71 84 A P H > S+ 0 0 70 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.899 114.3 49.9 -63.3 -35.3 75.1 -34.9 -72.9 72 85 A K H 4 S+ 0 0 114 -4,-0.5 4,-0.3 1,-0.2 -2,-0.2 0.897 112.9 45.8 -65.3 -43.8 72.2 -35.1 -70.4 73 86 A L H ><>S+ 0 0 0 -4,-2.3 5,-1.0 1,-0.2 3,-0.6 0.816 112.3 49.9 -71.8 -33.2 71.6 -31.3 -70.5 74 87 A K H ><5S+ 0 0 70 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.751 102.8 62.5 -78.0 -22.5 71.8 -31.1 -74.3 75 88 A A T 3<5S+ 0 0 84 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.592 94.6 62.2 -76.4 -14.4 69.3 -34.0 -74.6 76 89 A T T < 5S- 0 0 52 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.426 120.5-105.4 -91.4 -1.1 66.6 -31.9 -72.9 77 90 A G T < 5 + 0 0 62 -3,-1.0 -3,-0.1 1,-0.2 -2,-0.1 0.439 53.4 177.8 91.7 3.6 66.7 -29.2 -75.7 78 91 A W < - 0 0 19 -5,-1.0 -1,-0.2 1,-0.1 -25,-0.1 -0.142 18.6-162.9 -48.6 119.0 68.6 -26.5 -73.7 79 92 A D + 0 0 131 -27,-0.2 -1,-0.1 2,-0.0 -24,-0.1 0.553 53.0 104.7 -80.9 -12.6 69.3 -23.4 -75.9 80 93 A G S S- 0 0 10 -26,-0.3 2,-0.4 -28,-0.2 -24,-0.2 0.211 71.5 -88.9 -69.9-174.5 72.1 -21.9 -73.7 81 94 A Y E -c 56 0A 60 -26,-2.7 -24,-3.0 36,-0.1 2,-0.6 -0.811 23.0-156.7-103.6 133.6 75.9 -21.6 -73.7 82 95 A W E -cd 57 117A 0 34,-2.9 36,-2.6 -2,-0.4 2,-0.6 -0.930 9.9-173.7-111.3 109.9 78.5 -24.0 -72.3 83 96 A V E -cd 58 118A 0 -26,-3.7 -24,-2.6 -2,-0.6 2,-0.3 -0.931 14.3-175.2-105.0 117.4 81.8 -22.4 -71.4 84 97 A D E -cd 59 119A 0 34,-1.9 36,-2.7 -2,-0.6 -24,-0.2 -0.895 33.8-171.4-121.5 148.0 84.4 -25.1 -70.3 85 98 A A + 0 0 23 -26,-1.8 -25,-0.2 -2,-0.3 -1,-0.1 0.605 68.4 91.6-103.4 -18.9 88.0 -25.1 -69.0 86 99 A A S S- 0 0 15 -27,-0.4 3,-0.4 -24,-0.1 34,-0.2 -0.306 78.8-126.6 -76.0 160.8 88.4 -28.9 -69.3 87 100 A S S > S+ 0 0 52 1,-0.2 3,-1.6 2,-0.1 4,-0.4 0.686 82.6 99.1 -80.7 -21.2 89.8 -30.7 -72.4 88 101 A A T 3 S+ 0 0 26 1,-0.3 -1,-0.2 2,-0.1 3,-0.2 0.701 92.5 27.7 -36.3 -44.1 86.8 -33.1 -72.9 89 102 A L T > S+ 0 0 7 -3,-0.4 3,-1.7 1,-0.1 -1,-0.3 0.376 85.4 107.3-109.3 3.7 85.0 -31.1 -75.7 90 103 A R T < S+ 0 0 13 -3,-1.6 -1,-0.1 1,-0.3 -2,-0.1 0.819 84.2 43.3 -50.0 -43.0 87.8 -29.2 -77.4 91 104 A M T 3 S+ 0 0 78 -4,-0.4 -1,-0.3 -3,-0.2 2,-0.3 0.214 85.7 117.6 -95.0 16.3 87.9 -31.3 -80.6 92 105 A K X - 0 0 109 -3,-1.7 3,-1.4 1,-0.1 -3,-0.0 -0.605 67.7-130.4 -83.1 140.9 84.1 -31.5 -81.1 93 106 A D T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.3 -3,-0.0 0.725 107.7 52.6 -65.4 -25.2 82.7 -29.9 -84.3 94 107 A D T 3 S+ 0 0 71 21,-0.1 23,-0.8 22,-0.0 22,-0.5 0.077 102.1 84.7 -97.0 22.6 80.0 -27.9 -82.4 95 108 A A E < -e 117 0A 2 -3,-1.4 2,-0.4 21,-0.1 23,-0.2 -0.980 61.0-157.7-131.0 136.7 82.7 -26.5 -80.2 96 109 A I E -e 118 0A 22 21,-2.4 23,-2.4 -2,-0.4 2,-0.6 -0.931 17.6-132.9-114.2 136.5 85.1 -23.6 -80.6 97 110 A I E -e 119 0A 1 -2,-0.4 2,-0.3 143,-0.2 23,-0.2 -0.817 30.2-139.7 -90.8 118.8 88.4 -23.2 -78.7 98 111 A V E +e 120 0A 1 21,-2.6 23,-0.9 -2,-0.6 6,-0.1 -0.603 48.2 135.7 -89.4 142.7 88.7 -19.7 -77.3 99 112 A L >> - 0 0 0 -2,-0.3 4,-3.0 21,-0.1 3,-1.6 -0.387 30.0-170.3-177.2 75.1 91.7 -17.4 -77.1 100 113 A D H 3> S+ 0 0 11 1,-0.3 4,-0.7 2,-0.2 5,-0.1 0.654 77.4 61.1 -55.0 -29.7 90.2 -14.0 -78.2 101 114 A P H 34 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 0, 0.0 0.751 122.4 28.3 -72.0 -15.5 93.4 -11.8 -78.5 102 115 A V H <4 S+ 0 0 17 -3,-1.6 3,-0.3 1,-0.0 -2,-0.2 0.841 134.3 26.5-102.7 -56.5 94.4 -14.4 -81.2 103 116 A N H X + 0 0 5 -4,-3.0 4,-1.9 1,-0.2 -3,-0.2 -0.260 65.3 134.0-112.8 50.4 91.1 -15.7 -82.7 104 117 A Q H X S+ 0 0 67 -4,-0.7 4,-2.9 1,-0.2 5,-0.2 0.878 78.4 54.6 -62.3 -34.2 88.4 -13.1 -82.2 105 118 A H H > S+ 0 0 137 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.910 107.0 48.7 -65.8 -44.3 87.3 -13.7 -85.8 106 119 A V H > S+ 0 0 39 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.870 115.5 45.5 -64.6 -36.3 86.8 -17.4 -85.3 107 120 A I H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.928 112.6 49.1 -72.1 -48.1 84.8 -16.7 -82.2 108 121 A S H X S+ 0 0 42 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.833 112.4 49.1 -60.8 -36.4 82.6 -13.9 -83.7 109 122 A E H X S+ 0 0 81 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.863 110.9 49.7 -71.9 -37.6 81.8 -16.1 -86.7 110 123 A G H X>S+ 0 0 5 -4,-1.5 5,-3.0 2,-0.2 4,-0.8 0.781 106.2 55.2 -72.5 -30.0 80.9 -19.1 -84.5 111 124 A L H <5S+ 0 0 48 -4,-1.7 3,-0.3 3,-0.2 -1,-0.2 0.913 113.1 43.1 -67.0 -41.4 78.5 -17.0 -82.4 112 125 A K H <5S+ 0 0 161 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.807 110.6 55.2 -74.5 -31.3 76.7 -15.9 -85.6 113 126 A K H <5S- 0 0 168 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.660 121.5-106.0 -77.2 -16.6 76.7 -19.5 -87.0 114 127 A G T <5 + 0 0 47 -4,-0.8 2,-0.4 -3,-0.3 -3,-0.2 0.786 58.5 162.1 96.3 30.9 75.0 -20.7 -83.8 115 128 A I < - 0 0 31 -5,-3.0 -1,-0.2 1,-0.1 -20,-0.1 -0.693 14.8-175.4 -81.5 131.7 77.8 -22.6 -81.9 116 129 A K + 0 0 45 -22,-0.5 -34,-2.9 -2,-0.4 2,-0.5 0.402 57.6 76.4-110.7 2.3 76.9 -23.0 -78.2 117 130 A T E -de 82 95A 0 -23,-0.8 -21,-2.4 -36,-0.2 2,-0.5 -0.960 51.2-179.5-122.5 117.7 80.0 -24.6 -76.8 118 131 A F E -de 83 96A 0 -36,-2.6 -34,-1.9 -2,-0.5 2,-0.3 -0.943 9.8-171.8-120.2 109.0 83.1 -22.5 -76.1 119 132 A V E -de 84 97A 0 -23,-2.4 -21,-2.6 -2,-0.5 -34,-0.2 -0.782 23.1-119.8-104.7 141.7 86.1 -24.4 -74.6 120 133 A G E - e 0 98A 5 -36,-2.7 -21,-0.1 -2,-0.3 -30,-0.1 -0.517 37.3-117.3 -75.0 146.4 89.4 -23.0 -73.3 121 134 A G - 0 0 3 -23,-0.9 2,-0.1 -2,-0.2 -1,-0.1 -0.173 35.5 -72.2 -82.2 174.6 92.6 -24.2 -75.0 122 135 A N > - 0 0 1 111,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.435 43.4-127.3 -65.1 134.4 95.6 -26.2 -74.0 123 136 A X H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.887 105.7 45.8 -48.6 -48.6 97.9 -24.2 -71.7 124 137 A T H > S+ 0 0 7 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.922 115.9 46.6 -64.4 -46.9 101.1 -24.6 -73.7 125 138 A V H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.890 113.0 49.5 -64.3 -42.6 99.4 -23.8 -77.1 126 139 A S H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.907 112.0 47.2 -63.7 -44.3 97.6 -20.7 -75.6 127 140 A L H X S+ 0 0 1 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.750 112.4 51.5 -70.3 -26.2 100.8 -19.3 -74.1 128 141 A M H >X S+ 0 0 3 -4,-1.5 4,-2.6 2,-0.2 3,-0.7 0.953 111.6 45.4 -74.0 -51.5 102.7 -20.0 -77.4 129 142 A L H 3X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.775 109.6 55.4 -63.8 -29.3 100.0 -18.1 -79.5 130 143 A M H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.787 115.0 41.0 -72.8 -27.5 99.9 -15.2 -77.0 131 144 A A H << S+ 0 0 1 -4,-0.7 3,-0.2 -3,-0.7 -2,-0.2 0.929 131.1 20.0 -83.9 -54.1 103.7 -14.8 -77.5 132 145 A I H >X S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 4,-0.8 -0.033 82.4 124.0-111.2 30.7 104.2 -15.3 -81.2 133 146 A G H 3X + 0 0 2 -4,-0.7 4,-1.4 1,-0.2 3,-0.2 0.743 65.1 65.4 -62.3 -28.5 100.7 -14.6 -82.5 134 147 A G H 3> S+ 0 0 4 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.765 98.0 54.1 -66.0 -28.7 101.8 -11.9 -84.9 135 148 A L H <4>S+ 0 0 0 -3,-1.1 5,-2.7 2,-0.2 6,-0.7 0.810 109.5 48.1 -75.1 -31.1 103.8 -14.4 -87.0 136 149 A F H ><5S+ 0 0 14 -4,-0.8 3,-0.7 3,-0.2 -2,-0.2 0.778 107.5 56.7 -78.2 -27.3 100.7 -16.5 -87.3 137 150 A E H 3<5S+ 0 0 138 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.897 110.0 42.8 -69.4 -43.9 98.5 -13.5 -88.3 138 151 A K T 3<5S- 0 0 132 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.225 113.3-118.0 -89.5 14.0 100.8 -12.6 -91.2 139 152 A D T < 5S+ 0 0 77 -3,-0.7 -3,-0.2 1,-0.1 -2,-0.1 0.850 71.9 137.6 47.2 42.5 101.0 -16.3 -92.3 140 153 A L < + 0 0 9 -5,-2.7 133,-1.9 -6,-0.1 2,-0.5 0.560 40.2 92.6 -88.8 -12.1 104.8 -16.1 -91.7 141 154 A V E +G 272 0C 0 -6,-0.7 131,-0.2 131,-0.2 3,-0.1 -0.753 35.6 164.7 -93.1 126.8 104.9 -19.5 -90.0 142 155 A E E S- 0 0 79 129,-2.7 2,-0.3 1,-0.5 -1,-0.2 0.815 74.8 -20.2 -97.4 -53.7 105.7 -22.6 -92.0 143 156 A W E -G 271 0C 80 128,-1.2 128,-2.7 106,-0.2 -1,-0.5 -0.974 55.7-149.4-152.9 160.7 106.5 -24.9 -89.0 144 157 A I E -Gh 270 251C 3 106,-2.1 108,-1.9 -2,-0.3 2,-0.5 -0.987 5.1-154.4-142.4 123.9 107.5 -24.6 -85.4 145 158 A S E -Gh 269 252C 53 124,-2.7 124,-1.8 -2,-0.4 2,-0.3 -0.886 22.3-158.7 -97.5 125.4 109.6 -27.0 -83.4 146 159 A V E +Gh 268 253C 18 106,-2.5 108,-2.2 -2,-0.5 2,-0.4 -0.828 23.8 179.0-113.9 146.9 108.9 -26.9 -79.6 147 160 A A E -Gh 267 254C 39 120,-1.5 120,-3.4 -2,-0.3 2,-0.3 -0.956 26.5-154.8-139.7 114.6 110.8 -27.9 -76.4 148 161 A T E -G 266 0C 4 106,-2.3 2,-0.4 -2,-0.4 108,-0.3 -0.689 23.1-159.8-103.7 153.3 108.8 -27.1 -73.3 149 162 A Y E -G 265 0C 100 116,-3.1 116,-2.1 -2,-0.3 2,-0.3 -0.808 33.4-165.4-125.3 80.3 109.7 -26.4 -69.6 150 163 A Q B -l 257 0D 0 106,-3.3 108,-3.3 -2,-0.4 110,-0.4 -0.560 11.2-130.0 -85.6 136.2 106.4 -27.1 -67.9 151 164 A A > - 0 0 0 -2,-0.3 3,-1.4 106,-0.2 4,-0.3 -0.398 21.9-115.0 -78.5 155.9 105.2 -26.3 -64.4 152 165 A A G >> S+ 0 0 0 108,-2.9 3,-1.1 1,-0.2 4,-0.9 0.700 105.4 73.5 -61.8 -24.6 103.7 -28.5 -61.8 153 166 A S G 34 S+ 0 0 4 108,-1.5 -1,-0.2 1,-0.3 109,-0.1 0.728 85.0 65.2 -65.6 -23.6 100.3 -26.7 -61.8 154 167 A G G <4 S+ 0 0 19 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.772 105.1 45.2 -69.6 -25.2 99.4 -28.2 -65.2 155 168 A A T <4 S- 0 0 41 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.686 123.9 -90.2 -89.7 -23.8 99.3 -31.6 -63.5 156 169 A G X - 0 0 20 -4,-0.9 4,-1.1 1,-0.1 -1,-0.3 -0.671 36.1 -69.2 137.1 171.0 97.3 -30.4 -60.5 157 170 A A H >> S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.928 124.6 50.8 -62.2 -48.7 97.3 -29.0 -56.9 158 171 A K H 3> S+ 0 0 143 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.805 106.8 57.9 -61.2 -28.8 98.7 -32.2 -55.2 159 172 A N H 3> S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.826 103.5 50.1 -70.5 -35.2 101.5 -32.1 -57.8 160 173 A M H < S+ 0 0 85 -4,-1.4 3,-2.1 -3,-0.2 -2,-0.2 0.913 111.8 57.1 -74.9 -45.2 118.0 -29.6 -48.9 172 185 A Q H >< S+ 0 0 125 -4,-2.8 3,-1.2 1,-0.3 4,-0.2 0.805 97.1 65.2 -55.4 -30.4 117.2 -31.1 -45.5 173 186 A A T 3< S+ 0 0 35 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.628 117.9 24.7 -66.8 -19.8 119.4 -34.1 -46.5 174 187 A V T <> S+ 0 0 5 -3,-2.1 4,-1.8 -4,-0.2 -1,-0.3 -0.049 84.4 130.1-135.6 32.6 122.4 -31.8 -46.6 175 188 A S H <> S+ 0 0 36 -3,-1.2 4,-0.9 1,-0.2 -2,-0.1 0.875 77.5 38.1 -58.1 -48.3 121.3 -29.0 -44.2 176 189 A S H > S+ 0 0 79 -4,-0.2 4,-0.7 1,-0.2 3,-0.2 0.860 113.9 57.7 -72.8 -35.3 124.3 -28.8 -41.9 177 190 A E H 4 S+ 0 0 41 1,-0.2 6,-0.3 2,-0.2 3,-0.3 0.799 103.4 52.0 -66.0 -32.5 126.7 -29.4 -44.8 178 191 A L H < S+ 0 0 94 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.815 102.3 60.1 -74.6 -29.3 125.4 -26.3 -46.7 179 192 A K H < S+ 0 0 153 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.724 93.1 75.7 -68.3 -25.9 125.9 -24.1 -43.7 180 193 A D >< - 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