==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JAN-02 1KS9 . COMPND 2 MOLECULE: 2-DEHYDROPANTOATE 2-REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.MATAK-VINKOVIC,M.VINKOVIC,S.A.SALDANHA,J.A.ASHURST,F.VON . 291 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 7.2 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 . 1 0.3 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 . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 102 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 0 1 0 2 0 1 0 1 1 0 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 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 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 62 0, 0.0 24,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 178.0 54.5 7.1 -8.0 2 2 A K E -a 25 0A 42 22,-0.2 63,-2.8 61,-0.1 64,-1.1 -0.944 360.0-178.5-110.9 122.9 58.0 8.7 -8.1 3 3 A I E -ab 26 66A 0 22,-2.2 24,-1.5 -2,-0.5 2,-0.5 -0.982 20.0-156.3-129.7 133.8 58.7 11.3 -5.5 4 4 A T E -ab 27 67A 0 62,-2.2 64,-2.6 -2,-0.4 2,-0.6 -0.966 15.3-154.4-102.7 124.7 61.8 13.5 -4.8 5 5 A V E -ab 28 68A 0 22,-3.0 24,-1.1 -2,-0.5 2,-0.8 -0.941 7.8-145.7-100.0 120.3 61.9 14.6 -1.2 6 6 A L E S+ab 29 69A 6 62,-2.3 64,-2.6 -2,-0.6 65,-0.2 -0.757 72.7 28.7 -92.2 109.4 63.9 17.8 -0.8 7 7 A G - 0 0 8 22,-2.3 23,-0.1 -2,-0.8 61,-0.0 0.261 61.1-147.7 113.0 119.4 65.8 17.7 2.6 8 8 A a + 0 0 11 4,-0.1 -1,-0.1 20,-0.1 22,-0.1 -0.178 64.0 109.9-108.7 39.5 67.0 14.6 4.3 9 9 A G S > S- 0 0 23 61,-0.1 4,-2.7 115,-0.0 5,-0.2 0.051 90.7 -60.4 -94.1-152.7 66.5 15.9 7.9 10 10 A A H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 113,-0.1 0.926 135.5 37.1 -62.4 -52.6 63.9 14.9 10.4 11 11 A L H > S+ 0 0 35 59,-0.3 4,-2.4 2,-0.2 5,-0.2 0.921 118.2 52.2 -66.5 -36.2 60.7 15.7 8.5 12 12 A G H > S+ 0 0 0 58,-0.3 4,-2.9 1,-0.2 -2,-0.2 0.918 110.0 47.2 -66.1 -41.5 62.3 14.6 5.2 13 13 A Q H X S+ 0 0 5 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.864 108.2 56.6 -67.7 -35.3 63.3 11.2 6.6 14 14 A L H X S+ 0 0 6 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.941 113.2 41.0 -62.0 -42.5 59.9 10.7 8.2 15 15 A W H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.898 113.5 51.7 -68.0 -39.8 58.3 11.2 4.7 16 16 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 -1,-0.2 0.931 111.4 49.1 -58.0 -50.5 61.0 9.1 2.9 17 17 A T H X S+ 0 0 2 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.938 113.7 45.3 -54.3 -48.5 60.4 6.3 5.4 18 18 A A H X S+ 0 0 4 -4,-2.1 4,-0.8 2,-0.2 3,-0.5 0.909 115.8 45.1 -67.7 -38.7 56.6 6.4 4.9 19 19 A L H <>S+ 0 0 0 -4,-3.1 5,-1.8 1,-0.2 3,-0.5 0.894 111.8 54.8 -66.2 -38.5 56.8 6.6 1.2 20 20 A C H <5S+ 0 0 30 -4,-2.5 3,-0.4 -5,-0.3 -1,-0.2 0.613 104.3 52.9 -65.5 -33.2 59.3 3.9 1.2 21 21 A K H <5S+ 0 0 111 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.278 104.8 55.0 -81.7 -15.4 57.0 1.5 3.2 22 22 A Q T <5S- 0 0 109 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.314 119.7-108.1 -86.1 -2.8 54.1 1.9 0.7 23 23 A G T 5 + 0 0 68 -3,-0.4 -3,-0.2 1,-0.2 -2,-0.1 0.547 65.5 151.1 81.6 12.7 56.4 0.8 -2.2 24 24 A H < - 0 0 39 -5,-1.8 2,-0.5 1,-0.1 -1,-0.2 -0.321 53.5-110.5 -78.5 155.2 56.8 4.2 -3.9 25 25 A E E +a 2 0A 116 -24,-2.3 -22,-2.2 -2,-0.0 2,-0.3 -0.829 52.6 174.6 -84.4 125.9 60.0 5.0 -5.9 26 26 A V E +a 3 0A 13 -2,-0.5 28,-0.5 -24,-0.2 2,-0.3 -0.938 24.4 179.0-140.8 151.9 61.7 7.7 -3.9 27 27 A Q E -ac 4 54A 0 -24,-1.5 -22,-3.0 -2,-0.3 28,-0.2 -0.987 19.9-137.8-139.1 156.5 64.9 9.7 -3.7 28 28 A G E -ac 5 55A 0 26,-2.4 28,-1.9 -2,-0.3 29,-0.4 -0.521 12.7-142.9-104.1 174.4 66.1 12.4 -1.3 29 29 A W E -a 6 0A 41 -24,-1.1 -22,-2.3 26,-0.2 2,-0.3 -0.900 14.1-161.6-140.4 123.9 67.8 15.6 -2.3 30 30 A L - 0 0 37 -2,-0.3 4,-0.1 4,-0.2 -24,-0.0 -0.688 26.8-134.3-109.9 147.5 70.7 17.2 -0.2 31 31 A R S S+ 0 0 104 -2,-0.3 -1,-0.1 1,-0.2 -25,-0.0 0.883 109.8 49.1 -65.2 -34.0 72.1 20.7 -0.3 32 32 A V S S- 0 0 112 -3,-0.0 -1,-0.2 2,-0.0 -2,-0.0 -0.866 107.6-121.4-105.1 97.1 75.5 19.0 -0.2 33 33 A P + 0 0 96 0, 0.0 -2,-0.1 0, 0.0 -4,-0.0 -0.010 43.4 159.7 -49.8 130.7 75.2 16.5 -3.0 34 34 A Q - 0 0 114 -4,-0.1 -4,-0.2 1,-0.0 -2,-0.0 -0.953 47.0-121.0-145.0 151.3 75.8 12.8 -2.1 35 35 A P S S+ 0 0 89 0, 0.0 20,-1.7 0, 0.0 2,-0.3 0.590 92.8 30.5 -72.7 -17.3 74.6 9.8 -4.1 36 36 A Y E -D 54 0A 134 18,-0.3 2,-0.5 -9,-0.1 18,-0.2 -0.977 63.1-140.7-141.0 156.1 72.5 8.5 -1.2 37 37 A a E -D 53 0A 5 16,-2.2 16,-2.5 -2,-0.3 2,-1.0 -0.987 24.3-142.6-109.4 117.0 70.5 9.6 1.9 38 38 A S E -D 52 0A 91 -2,-0.5 2,-0.4 14,-0.2 14,-0.2 -0.759 19.3-159.2 -85.1 107.8 71.1 7.2 4.8 39 39 A V E +D 51 0A 0 12,-2.7 12,-1.2 -2,-1.0 2,-0.3 -0.641 22.2 163.9 -90.2 134.2 67.7 6.9 6.6 40 40 A N E +D 50 0A 37 -2,-0.4 89,-2.5 10,-0.2 2,-0.4 -0.693 14.0 165.5-146.9 93.5 67.6 5.8 10.2 41 41 A L E -De 49 129A 0 8,-2.4 8,-1.9 -2,-0.3 2,-0.6 -0.905 30.9-140.3-120.2 139.9 64.3 6.5 11.9 42 42 A V E -De 48 130A 33 87,-2.7 89,-2.9 -2,-0.4 6,-0.2 -0.899 25.3-136.4 -93.1 121.0 62.8 5.2 15.1 43 43 A E > - 0 0 36 4,-2.8 3,-2.7 -2,-0.6 -1,-0.0 -0.139 30.0 -98.0 -68.8 165.3 59.0 4.6 14.9 44 44 A T T 3 S+ 0 0 74 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.776 125.7 52.5 -62.5 -22.4 56.5 5.7 17.6 45 45 A D T 3 S- 0 0 122 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.356 125.0-101.8 -90.9 3.8 56.6 2.2 19.1 46 46 A G S < S+ 0 0 49 -3,-2.7 -2,-0.1 1,-0.3 2,-0.0 0.392 77.4 139.2 96.6 -7.1 60.4 2.2 19.3 47 47 A S - 0 0 52 -5,-0.1 -4,-2.8 2,-0.0 2,-0.4 -0.348 47.5-127.7 -70.5 152.9 60.8 -0.0 16.2 48 48 A I E - D 0 42A 113 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.983 18.8-169.2-104.4 155.1 63.6 0.9 13.8 49 49 A F E + D 0 41A 38 -8,-1.9 -8,-2.4 -2,-0.4 2,-0.4 -0.914 16.0 171.2-131.2 126.6 63.5 1.6 10.0 50 50 A N E + D 0 40A 90 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.936 9.1 142.5-152.9 109.2 67.0 1.8 8.3 51 51 A E E - D 0 39A 106 -12,-1.2 -12,-2.7 -2,-0.4 2,-0.6 -0.999 43.9-122.4-141.4 159.3 67.6 2.0 4.6 52 52 A S E - D 0 38A 78 -2,-0.3 2,-0.2 -14,-0.2 -14,-0.2 -0.829 34.7-165.9-104.1 112.2 69.9 3.7 2.1 53 53 A L E - D 0 37A 22 -16,-2.5 -16,-2.2 -2,-0.6 -26,-0.1 -0.638 27.1 -97.9-105.6 155.7 68.0 5.7 -0.5 54 54 A T E -cD 27 36A 54 -28,-0.5 -26,-2.4 -2,-0.2 2,-0.3 -0.314 45.8-172.8 -57.8 140.2 69.0 7.3 -3.9 55 55 A A E +c 28 0A 4 -20,-1.7 -26,-0.2 -28,-0.2 -51,-0.0 -0.991 52.4 6.9-139.0 148.1 69.8 11.0 -3.5 56 56 A N S S+ 0 0 25 -28,-1.9 -27,-0.1 -2,-0.3 3,-0.1 0.752 70.7 154.4 59.5 33.5 70.5 13.9 -6.0 57 57 A D > - 0 0 56 -29,-0.4 4,-2.4 1,-0.1 -1,-0.2 -0.818 30.3-161.0 -92.4 108.3 69.8 12.0 -9.2 58 58 A P H > S+ 0 0 73 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.761 89.7 53.8 -61.9 -30.6 68.8 14.6 -11.8 59 59 A D H > S+ 0 0 123 2,-0.2 4,-0.5 3,-0.1 5,-0.1 0.843 108.9 48.1 -74.0 -36.0 67.2 12.0 -14.1 60 60 A F H >4 S+ 0 0 24 2,-0.2 3,-1.1 1,-0.2 4,-0.3 0.923 112.4 50.7 -70.3 -38.1 65.0 10.7 -11.3 61 61 A L H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.945 105.5 55.7 -62.0 -41.3 64.1 14.4 -10.5 62 62 A A H 3< S+ 0 0 39 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.648 114.5 40.0 -69.6 -11.5 63.2 15.0 -14.2 63 63 A T T << S+ 0 0 76 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.083 87.7 127.1-119.9 17.9 60.7 12.0 -14.1 64 64 A S < - 0 0 1 -3,-1.3 -61,-0.2 -4,-0.3 3,-0.1 -0.492 48.0-155.9 -79.5 145.1 59.2 12.6 -10.6 65 65 A D S S+ 0 0 79 -63,-2.8 2,-0.3 1,-0.3 -62,-0.2 0.555 81.3 23.0 -98.2 -4.4 55.5 12.9 -10.0 66 66 A L E -b 3 0A 0 -64,-1.1 -62,-2.2 25,-0.2 2,-0.5 -0.975 58.4-154.8-162.7 135.7 55.8 14.9 -6.8 67 67 A L E -bf 4 93A 0 25,-1.9 27,-2.9 -2,-0.3 2,-0.6 -0.996 20.9-167.0-108.8 111.7 58.5 17.2 -5.3 68 68 A L E -bf 5 94A 0 -64,-2.6 -62,-2.3 -2,-0.5 2,-0.4 -0.938 6.0-155.5-104.3 117.6 57.8 17.1 -1.5 69 69 A V E +bf 6 95A 1 25,-3.2 27,-2.8 -2,-0.6 -62,-0.1 -0.805 24.9 165.0-107.6 131.1 59.8 19.9 0.3 70 70 A T + 0 0 11 -64,-2.6 -58,-0.3 -2,-0.4 -59,-0.3 0.108 33.8 124.0-131.9 31.3 60.7 19.6 4.0 71 71 A L S S- 0 0 32 -65,-0.2 5,-0.1 1,-0.1 2,-0.1 -0.236 70.9 -87.2 -85.1 167.7 63.3 22.3 4.5 72 72 A K > - 0 0 106 1,-0.1 3,-1.8 25,-0.1 4,-0.5 -0.449 49.0-104.4 -69.2 156.3 63.2 25.1 7.0 73 73 A A G >> S+ 0 0 0 1,-0.3 3,-1.3 25,-0.2 4,-0.5 0.796 116.7 55.3 -55.2 -41.8 61.4 28.1 5.7 74 74 A W G 34 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.609 110.7 48.1 -70.2 -9.8 64.4 30.4 5.0 75 75 A Q G <> S+ 0 0 65 -3,-1.8 4,-1.2 1,-0.1 -1,-0.3 0.520 93.1 82.1 -95.8 -29.6 65.9 27.6 2.8 76 76 A V H <> S+ 0 0 0 -3,-1.3 4,-2.7 -4,-0.5 5,-0.2 0.905 83.6 47.6 -51.9 -61.0 62.8 26.8 0.7 77 77 A S H X S+ 0 0 8 -4,-0.5 4,-2.7 1,-0.2 5,-0.2 0.922 114.0 45.8 -62.5 -39.6 62.4 29.3 -2.1 78 78 A D H > S+ 0 0 121 -4,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 115.0 47.1 -64.5 -43.6 66.0 29.2 -3.3 79 79 A A H X S+ 0 0 23 -4,-1.2 4,-0.8 2,-0.2 -2,-0.2 0.925 113.2 48.5 -67.1 -42.5 66.2 25.4 -3.2 80 80 A V H >X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 3,-1.2 0.926 110.3 51.5 -62.1 -45.4 62.8 25.0 -5.1 81 81 A K H 3X S+ 0 0 113 -4,-2.7 4,-0.6 1,-0.3 3,-0.5 0.896 105.8 57.3 -61.6 -35.9 63.9 27.5 -7.8 82 82 A S H 3< S+ 0 0 77 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.693 115.4 34.8 -60.1 -37.3 67.1 25.6 -8.3 83 83 A L H XX S+ 0 0 7 -3,-1.2 4,-2.5 -4,-0.8 3,-0.6 0.486 95.1 86.0 -95.0 -13.4 65.2 22.3 -9.1 84 84 A A H 3< S+ 0 0 16 -4,-1.3 -2,-0.1 -3,-0.5 -3,-0.1 0.765 84.2 56.2 -67.6 -25.8 62.2 23.7 -10.9 85 85 A S T 3< S+ 0 0 114 -4,-0.6 -1,-0.2 1,-0.1 4,-0.1 0.742 115.6 39.3 -76.2 -16.2 63.8 23.9 -14.4 86 86 A T T <4 S+ 0 0 60 -3,-0.6 -2,-0.2 2,-0.1 -1,-0.1 0.874 99.4 79.9 -97.0 -40.4 64.6 20.1 -14.1 87 87 A L S < S- 0 0 4 -4,-2.5 -25,-0.2 1,-0.1 -26,-0.1 -0.452 102.5 -88.3 -64.4 147.9 61.4 18.8 -12.5 88 88 A P > - 0 0 31 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.104 29.1-127.7 -59.7 139.2 58.6 18.4 -15.0 89 89 A V T 3 S+ 0 0 73 1,-0.3 -2,-0.0 -4,-0.1 -4,-0.0 0.395 110.1 53.1 -67.4 7.1 56.5 21.6 -15.4 90 90 A T T 3 S+ 0 0 104 21,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.399 85.6 103.9-116.0 -14.6 53.4 19.5 -14.8 91 91 A T S < S- 0 0 8 -3,-1.8 -25,-0.2 1,-0.1 -26,-0.1 -0.710 72.0-121.8 -83.8 129.4 54.6 18.0 -11.5 92 92 A P - 0 0 3 0, 0.0 -25,-1.9 0, 0.0 2,-0.5 -0.194 16.6-150.4 -69.7 140.3 53.2 19.4 -8.3 93 93 A I E -fg 67 113A 0 19,-2.2 21,-2.9 -27,-0.2 2,-0.5 -0.989 9.4-163.8-110.4 121.4 55.4 20.8 -5.5 94 94 A L E -fg 68 114A 0 -27,-2.9 -25,-3.2 -2,-0.5 2,-0.5 -0.956 3.6-157.0-108.7 126.4 54.2 20.5 -1.9 95 95 A L E -fg 69 115A 1 19,-2.8 21,-1.3 -2,-0.5 2,-0.5 -0.847 9.1-175.2-101.6 124.5 55.8 22.7 0.7 96 96 A I E + g 0 116A 2 -27,-2.8 2,-0.3 -2,-0.5 21,-0.2 -0.952 32.5 112.2-117.3 113.9 55.7 21.5 4.3 97 97 A H - 0 0 22 19,-1.8 2,-0.2 -2,-0.5 -25,-0.1 -0.987 62.2 -98.3-164.8 167.7 57.1 23.9 6.9 98 98 A N S S+ 0 0 62 -2,-0.3 -25,-0.2 19,-0.1 75,-0.0 -0.563 84.3 32.9 -90.5 161.0 56.2 26.2 9.8 99 99 A G S S- 0 0 12 -2,-0.2 2,-0.3 74,-0.2 161,-0.2 -0.123 76.5-106.3 81.7 167.4 55.9 29.9 9.1 100 100 A M S S+ 0 0 5 159,-2.4 163,-0.1 1,-0.1 164,-0.1 -0.934 74.3 75.2-136.7 156.9 54.6 31.8 6.1 101 101 A G > + 0 0 4 -2,-0.3 4,-0.5 162,-0.1 -1,-0.1 0.436 62.3 102.0 119.9 4.0 56.0 33.9 3.3 102 102 A T T 4 S+ 0 0 1 2,-0.2 4,-0.4 1,-0.2 3,-0.1 0.748 77.3 61.1 -86.3 -31.6 57.6 31.3 0.9 103 103 A I T >4 S+ 0 0 7 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.907 100.6 53.7 -63.8 -38.4 54.6 31.5 -1.5 104 104 A E G >4 S+ 0 0 80 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.833 108.1 50.8 -62.2 -31.5 55.3 35.1 -2.2 105 105 A E G 3< S+ 0 0 59 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.529 114.4 44.9 -77.6 -15.0 58.9 34.2 -3.0 106 106 A L G X S+ 0 0 1 -3,-1.4 3,-1.8 -4,-0.4 -1,-0.2 0.005 71.1 122.7-118.9 25.0 57.7 31.5 -5.5 107 107 A Q T < S+ 0 0 128 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.710 73.9 52.0 -68.1 -16.9 54.9 33.3 -7.4 108 108 A N T 3 S+ 0 0 146 -3,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.367 76.9 126.7 -98.2 4.7 56.4 32.8 -10.8 109 109 A I < - 0 0 18 -3,-1.8 4,-0.1 1,-0.2 -3,-0.1 -0.407 49.3-155.1 -59.1 130.1 56.8 29.0 -10.4 110 110 A Q + 0 0 159 -2,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.803 66.6 84.3 -78.1 -34.5 55.1 27.3 -13.3 111 111 A Q S S- 0 0 5 1,-0.1 -21,-0.1 -24,-0.1 -22,-0.1 -0.202 97.7 -86.0 -64.7 162.7 54.4 24.0 -11.6 112 112 A P - 0 0 11 0, 0.0 -19,-2.2 0, 0.0 2,-0.4 -0.522 50.4-154.9 -62.6 133.0 51.3 23.4 -9.3 113 113 A L E -g 93 0A 0 -21,-0.2 29,-2.5 -4,-0.1 30,-0.5 -0.980 14.3-176.3-124.8 131.9 52.2 24.6 -5.8 114 114 A L E -gH 94 141A 0 -21,-2.9 -19,-2.8 -2,-0.4 2,-0.3 -0.907 11.1-150.4-127.0 145.8 50.7 23.5 -2.6 115 115 A M E +gH 95 140A 11 25,-2.6 25,-1.7 -2,-0.3 2,-0.3 -0.883 24.2 157.2-118.8 153.6 51.3 24.7 0.9 116 116 A G E -gH 96 139A 5 -21,-1.3 -19,-1.8 -2,-0.3 2,-0.3 -0.969 24.0-157.8-168.3 166.1 51.1 22.7 4.1 117 117 A T E - H 0 138A 2 21,-1.8 21,-2.7 -2,-0.3 2,-0.3 -0.962 15.5-146.1-152.5 155.6 52.1 22.2 7.7 118 118 A T E - H 0 137A 23 -2,-0.3 19,-0.2 19,-0.2 45,-0.0 -0.952 21.7-158.1-130.1 158.5 52.1 19.3 10.1 119 119 A T + 0 0 64 17,-1.9 2,-0.2 -2,-0.3 18,-0.1 0.311 63.5 116.9-112.7 6.9 51.6 18.5 13.7 120 120 A H - 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0 0 87 -3,-1.1 -47,-2.5 -48,-0.1 2,-0.5 -0.139 65.1-132.2 -67.5 156.9 59.3 22.6 27.0 242 242 A I - 0 0 54 -49,-0.2 -1,-0.1 -48,-0.1 -2,-0.1 -0.922 34.9-118.4-102.0 125.2 62.0 24.6 25.1 243 243 A S > - 0 0 8 -2,-0.5 4,-2.6 -51,-0.3 5,-0.2 -0.097 17.8-111.6 -62.8 167.1 60.5 26.2 22.0 244 244 A S H > S+ 0 0 56 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.882 119.5 47.5 -64.3 -39.1 61.7 25.5 18.5 245 245 A M H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.1 -1,-0.2 0.916 111.7 47.7 -69.8 -41.8 63.1 29.0 18.2 246 246 A L H > S+ 0 0 0 1,-0.3 4,-3.3 2,-0.2 5,-0.3 0.946 109.3 56.7 -65.4 -38.7 64.9 28.9 21.6 247 247 A Q H X S+ 0 0 85 -4,-2.6 4,-1.2 1,-0.2 -1,-0.3 0.892 107.9 46.3 -57.0 -40.9 66.3 25.6 20.5 248 248 A D H <>S+ 0 0 22 -4,-1.2 5,-2.5 -5,-0.2 4,-0.3 0.945 113.2 50.3 -66.5 -48.6 67.7 27.2 17.4 249 249 A I H ><5S+ 0 0 29 -4,-2.6 3,-2.9 1,-0.2 -2,-0.2 0.979 108.5 50.6 -53.5 -58.4 69.1 30.0 19.5 250 250 A R H 3<5S+ 0 0 127 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.796 117.6 40.8 -54.1 -30.1 70.8 27.7 22.1 251 251 A A T 3<5S- 0 0 51 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.329 109.5-125.1 -96.7 2.3 72.4 25.8 19.2 252 252 A L T < 5 + 0 0 129 -3,-2.9 2,-0.3 -4,-0.3 -3,-0.2 0.875 58.8 148.2 53.7 42.4 73.2 29.0 17.2 253 253 A R < - 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0 0 34 -5,-2.2 2,-0.4 -8,-0.2 -1,-0.2 -0.961 45.3-113.5-119.5 133.4 49.1 48.3 10.7 274 274 A A + 0 0 81 -2,-0.4 -61,-0.1 1,-0.1 -5,-0.0 -0.482 39.3 166.9 -67.4 123.1 51.1 49.4 13.7 275 275 A V > + 0 0 16 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.381 14.2 146.0-136.2 64.2 53.3 46.6 15.0 276 276 A P H > S+ 0 0 71 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.900 74.9 47.9 -69.6 -40.2 55.9 48.0 17.5 277 277 A E H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.909 114.5 47.0 -66.8 -46.5 56.1 45.1 19.9 278 278 A N H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.907 112.6 50.0 -62.5 -38.3 56.5 42.6 17.0 279 279 A T H X S+ 0 0 39 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.982 110.0 50.1 -64.2 -47.1 59.1 44.8 15.3 280 280 A R H X S+ 0 0 114 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.944 114.4 44.3 -54.5 -50.4 61.1 45.2 18.6 281 281 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.910 113.1 51.4 -61.8 -43.9 61.1 41.4 19.1 282 282 A F H X S+ 0 0 35 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.970 112.5 45.4 -58.3 -48.7 62.0 40.7 15.5 283 283 A E H X S+ 0 0 92 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.879 111.3 53.6 -64.7 -39.9 64.9 43.0 15.6 284 284 A M H X S+ 0 0 35 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.899 109.3 46.5 -57.6 -51.6 66.1 41.7 18.9 285 285 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.917 110.5 54.3 -58.8 -44.0 66.2 38.0 17.7 286 286 A K H X S+ 0 0 65 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.894 107.0 51.2 -58.0 -40.1 68.0 39.1 14.5 287 287 A R H X S+ 0 0 140 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.939 109.3 50.9 -66.7 -40.5 70.7 40.8 16.6 288 288 A K H < S+ 0 0 88 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.814 106.9 54.3 -61.7 -37.9 71.1 37.6 18.6 289 289 A E H < S+ 0 0 38 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.900 112.3 42.2 -63.8 -42.7 71.5 35.5 15.5 290 290 A S H < 0 0 94 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.927 360.0 360.0 -67.2 -37.5 74.3 37.7 14.2 291 291 A E < 0 0 171 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.1 -0.749 360.0 360.0 109.1 360.0 75.6 37.6 17.8