==== 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 01-JUL-09 3I4F . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS SEROVAR KURSTAK . AUTHOR U.A.RAMAGOPAL,J.KIM,R.TORO,S.K.BURLEY,S.C.ALMO,NEW YORK SGX . 966 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 722 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 125 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 68 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 343 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.4 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 3 0 1 2 1 4 8 0 0 4 0 4 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 7 9 4 4 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 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 0 4 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 37 A F 0 0 148 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 29.1 21.6 11.3 -0.2 2 38 A V - 0 0 75 1,-0.1 2,-0.1 25,-0.0 25,-0.1 -0.813 360.0 -96.9-111.4 144.6 20.9 7.8 1.3 3 39 A R - 0 0 65 -2,-0.3 25,-2.0 1,-0.1 2,-0.4 -0.303 34.3-155.5 -68.5 129.0 21.2 6.7 5.0 4 40 A H E -a 28 0A 0 23,-0.2 78,-2.3 -2,-0.1 79,-2.0 -0.847 5.1-159.4-105.4 139.6 24.4 5.0 6.2 5 41 A A E -ab 29 83A 0 23,-2.5 25,-2.9 -2,-0.4 2,-0.5 -0.906 9.5-155.6-115.7 145.4 24.7 2.6 9.1 6 42 A L E -ab 30 84A 0 77,-3.0 79,-3.0 -2,-0.4 2,-0.5 -0.976 19.1-179.9-116.2 114.0 27.6 1.5 11.2 7 43 A I E > -ab 31 85A 0 23,-2.4 25,-1.9 -2,-0.5 3,-0.9 -0.957 19.9-141.5-121.6 118.2 27.1 -1.8 12.9 8 44 A T T 3 S+ 0 0 4 77,-1.7 79,-0.2 -2,-0.5 25,-0.1 -0.604 87.1 5.7 -77.2 131.3 29.7 -3.4 15.1 9 45 A A T > S+ 0 0 34 -2,-0.3 3,-0.9 78,-0.1 6,-0.3 0.863 82.8 158.2 64.2 43.2 30.0 -7.2 14.8 10 46 A G T < + 0 0 0 -3,-0.9 9,-0.2 22,-0.8 23,-0.1 0.294 54.3 64.9 -85.8 9.1 27.6 -7.2 11.9 11 47 A T T 3 S+ 0 0 8 21,-0.5 2,-0.3 8,-0.1 -1,-0.2 0.424 100.4 47.5-108.4 -0.6 28.5 -10.5 10.1 12 48 A K S X> S- 0 0 113 -3,-0.9 4,-1.0 28,-0.0 3,-0.6 -0.927 102.6 -18.2-137.0 162.9 27.5 -12.9 12.9 13 49 A G H >> S- 0 0 16 -2,-0.3 3,-1.2 1,-0.2 4,-0.9 -0.030 124.8 -6.7 46.6-139.2 24.6 -13.7 15.3 14 50 A L H >> S+ 0 0 17 1,-0.3 4,-1.9 2,-0.2 3,-0.9 0.902 132.7 61.2 -51.6 -49.7 22.1 -10.9 15.8 15 51 A G H <> S+ 0 0 0 -3,-0.6 4,-3.2 -6,-0.3 -1,-0.3 0.774 95.7 62.7 -48.5 -34.5 24.2 -8.4 13.8 16 52 A K H S+ 0 0 2 -4,-2.2 5,-2.4 2,-0.2 -1,-0.2 0.835 112.2 50.9 -65.9 -35.7 19.1 -2.5 6.7 23 59 A L H ><5S+ 0 0 4 -4,-2.0 3,-1.2 -5,-0.2 -1,-0.2 0.906 109.9 50.7 -64.2 -44.1 20.4 -3.7 3.3 24 60 A A H 3<5S+ 0 0 88 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.791 105.3 55.9 -62.4 -34.2 16.9 -4.8 2.4 25 61 A K T 3<5S- 0 0 104 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.441 125.8-103.7 -78.0 0.1 15.5 -1.4 3.4 26 62 A G T < 5S+ 0 0 27 -3,-1.2 -3,-0.2 1,-0.3 -2,-0.1 0.426 73.8 141.8 96.5 1.4 17.9 0.1 0.9 27 63 A Y < - 0 0 28 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.347 50.5-123.4 -77.5 152.2 20.5 1.4 3.4 28 64 A S E -a 4 0A 3 -25,-2.0 -23,-2.5 -2,-0.1 2,-0.4 -0.712 33.0-162.7 -86.8 147.8 24.3 1.5 3.1 29 65 A V E -ac 5 54A 0 24,-2.8 26,-1.7 -2,-0.3 2,-0.6 -0.997 24.4-158.8-139.5 134.6 26.2 -0.3 5.9 30 66 A T E -ac 6 55A 0 -25,-2.9 -23,-2.4 -2,-0.4 2,-0.4 -0.980 26.7-168.4-104.1 120.0 29.7 -0.4 7.3 31 67 A V E -ac 7 56A 0 24,-2.9 26,-2.8 -2,-0.6 2,-0.3 -0.882 8.7-145.7-112.3 140.2 30.0 -3.7 9.2 32 68 A T E - c 0 57A 2 -25,-1.9 -22,-0.8 -2,-0.4 -21,-0.5 -0.760 12.7-173.2-101.6 150.6 32.9 -4.6 11.5 33 69 A Y E - c 0 58A 38 24,-1.7 26,-2.1 -2,-0.3 4,-0.0 -0.987 10.3-163.5-140.7 135.1 34.3 -8.0 12.1 34 70 A H S S- 0 0 108 -2,-0.3 -1,-0.2 24,-0.2 26,-0.1 0.909 73.7 -27.5 -74.2 -90.4 36.9 -9.1 14.6 35 71 A S S S+ 0 0 94 1,-0.1 2,-1.4 23,-0.1 3,-0.1 0.893 103.2 95.0-100.7 -49.1 38.4 -12.5 13.7 36 72 A D > + 0 0 60 1,-0.2 4,-1.3 2,-0.1 3,-0.3 -0.269 36.8 168.9 -62.3 86.8 36.0 -14.6 11.6 37 73 A T H > S+ 0 0 79 -2,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.878 74.8 63.4 -63.3 -36.8 37.1 -13.8 8.0 38 74 A T H > S+ 0 0 94 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.852 99.4 53.5 -55.7 -40.8 34.9 -16.8 6.8 39 75 A A H > S+ 0 0 11 -3,-0.3 4,-1.2 1,-0.2 3,-0.4 0.963 110.9 43.9 -59.7 -53.6 31.7 -15.0 8.0 40 76 A M H X S+ 0 0 23 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.739 109.6 60.3 -65.5 -23.0 32.4 -11.8 6.2 41 77 A E H X S+ 0 0 106 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.873 105.4 44.7 -71.7 -40.6 33.4 -13.8 3.1 42 78 A T H X S+ 0 0 77 -4,-1.7 4,-1.4 -3,-0.4 -2,-0.2 0.688 115.2 48.7 -79.0 -19.9 30.0 -15.5 2.7 43 79 A M H X S+ 0 0 3 -4,-1.2 4,-1.3 2,-0.2 -2,-0.2 0.719 107.3 58.2 -85.0 -28.0 28.3 -12.1 3.3 44 80 A K H < S+ 0 0 87 -4,-1.5 -2,-0.2 -5,-0.2 -3,-0.2 0.962 112.3 38.0 -56.2 -55.6 30.7 -10.7 0.7 45 81 A E H >< S+ 0 0 139 -4,-1.9 3,-1.6 1,-0.2 4,-0.3 0.902 110.7 58.2 -71.5 -44.0 29.5 -13.1 -2.0 46 82 A T H 3< S+ 0 0 100 -4,-1.4 3,-0.3 1,-0.3 -1,-0.2 0.893 117.5 35.4 -47.1 -43.8 25.8 -13.1 -1.0 47 83 A Y T >< S+ 0 0 48 -4,-1.3 3,-0.6 1,-0.2 -1,-0.3 0.073 75.9 119.6-108.0 22.8 25.8 -9.3 -1.5 48 84 A K G X S+ 0 0 70 -3,-1.6 3,-1.7 1,-0.2 -1,-0.2 0.872 75.1 59.4 -50.9 -41.8 28.1 -8.9 -4.5 49 85 A D G 3 S+ 0 0 106 -3,-0.3 3,-0.3 -4,-0.3 -1,-0.2 0.868 112.1 38.2 -56.4 -41.5 25.2 -7.4 -6.5 50 86 A V G X S+ 0 0 42 -3,-0.6 3,-1.3 1,-0.2 4,-0.5 -0.098 77.5 135.2-100.9 32.4 24.9 -4.5 -3.9 51 87 A E G X + 0 0 51 -3,-1.7 3,-1.3 1,-0.3 -1,-0.2 0.834 65.5 61.3 -45.5 -42.5 28.7 -4.3 -3.4 52 88 A E G 3 S+ 0 0 89 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.825 104.1 48.2 -58.8 -35.0 28.5 -0.4 -3.6 53 89 A R G < S+ 0 0 71 -3,-1.3 -24,-2.8 -25,-0.1 2,-0.4 0.501 105.5 67.7 -84.3 -5.7 26.2 -0.2 -0.5 54 90 A L E < +c 29 0A 10 -3,-1.3 2,-0.3 -4,-0.5 -24,-0.2 -0.939 52.4 178.6-131.2 140.6 28.3 -2.5 1.8 55 91 A Q E -c 30 0A 21 -26,-1.7 -24,-2.9 -2,-0.4 2,-0.4 -0.963 14.2-152.2-148.0 120.2 31.7 -2.3 3.4 56 92 A F E -c 31 0A 29 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.766 14.2-176.0 -93.6 132.4 33.6 -4.7 5.7 57 93 A V E -c 32 0A 3 -26,-2.8 -24,-1.7 -2,-0.4 2,-0.3 -0.985 22.2-133.2-131.6 123.4 36.1 -3.3 8.2 58 94 A Q E +c 33 0A 70 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.574 42.1 154.2 -71.3 130.5 38.2 -5.5 10.5 59 95 A A - 0 0 2 -26,-2.1 2,-0.9 -2,-0.3 -50,-0.1 -0.924 49.0-142.7-162.2 133.4 38.2 -4.2 14.1 60 96 A D > - 0 0 27 -2,-0.3 3,-1.9 1,-0.1 6,-0.3 -0.891 27.1-158.4 -88.0 106.7 38.6 -5.3 17.7 61 97 A V T 3 S+ 0 0 22 -2,-0.9 -1,-0.1 1,-0.3 -53,-0.0 0.401 84.7 67.4 -76.5 5.5 35.9 -3.0 19.1 62 98 A T T 3 S+ 0 0 30 27,-0.0 2,-0.5 51,-0.0 -1,-0.3 0.454 87.4 83.4 -95.8 -7.3 37.4 -3.1 22.6 63 99 A K S <> S- 0 0 100 -3,-1.9 4,-1.8 1,-0.1 3,-0.3 -0.890 72.0-146.7-103.9 126.3 40.4 -1.1 21.3 64 100 A K H > S+ 0 0 94 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 0.905 99.7 54.6 -54.7 -45.7 40.2 2.7 21.1 65 101 A E H > S+ 0 0 135 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.863 107.9 48.2 -60.2 -41.1 42.5 2.7 18.0 66 102 A D H > S+ 0 0 41 -6,-0.3 4,-1.9 -3,-0.3 -1,-0.2 0.823 107.3 56.8 -69.8 -30.8 40.3 0.3 16.1 67 103 A L H X S+ 0 0 1 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.901 107.1 48.6 -65.6 -41.0 37.1 2.3 17.0 68 104 A H H X S+ 0 0 96 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.832 108.6 56.5 -63.6 -32.6 38.7 5.4 15.4 69 105 A K H X S+ 0 0 69 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.905 105.3 47.7 -71.0 -43.0 39.5 3.3 12.4 70 106 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.904 114.2 47.3 -62.9 -42.6 36.0 2.1 11.6 71 107 A V H X S+ 0 0 11 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.948 113.0 48.7 -63.8 -48.1 34.6 5.7 12.0 72 108 A E H X S+ 0 0 109 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.819 113.2 48.4 -60.5 -33.3 37.4 7.1 9.8 73 109 A E H X S+ 0 0 74 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.885 111.4 47.5 -78.5 -38.9 36.7 4.4 7.2 74 110 A A H X>S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.7 0.928 114.1 48.0 -61.9 -46.4 32.9 4.9 7.1 75 111 A M H X5S+ 0 0 63 -4,-2.7 4,-0.9 3,-0.2 -2,-0.2 0.845 110.6 55.3 -61.8 -34.1 33.4 8.6 6.8 76 112 A S H <5S+ 0 0 91 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.950 118.5 28.2 -61.4 -55.1 35.9 7.9 4.0 77 113 A H H <5S+ 0 0 128 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.836 137.9 20.7 -80.6 -36.6 33.6 5.9 1.8 78 114 A F H <5S- 0 0 54 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.1 0.596 84.2-136.4-115.2 -13.3 30.2 7.2 2.6 79 115 A G S < - 0 0 18 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.292 36.6-113.1 -63.9 150.7 29.9 -15.6 41.2 98 134 A L G > S+ 0 0 2 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.851 115.8 63.7 -52.4 -40.9 31.5 -12.2 41.1 99 135 A V G 3 S+ 0 0 8 1,-0.3 -1,-0.3 752,-0.1 -2,-0.1 0.597 102.8 52.0 -63.0 -10.2 34.0 -13.1 43.9 100 136 A D G < S+ 0 0 92 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.497 83.3 116.2-104.5 -5.7 35.3 -15.7 41.5 101 137 A Y < - 0 0 2 -3,-1.9 2,-0.2 -4,-0.3 -3,-0.0 -0.431 63.3-131.0 -67.7 130.2 35.9 -13.3 38.5 102 138 A E > - 0 0 40 -2,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.517 24.6-115.4 -72.2 150.1 39.4 -12.8 37.4 103 139 A E H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.845 117.0 55.7 -57.8 -36.9 40.4 -9.1 37.0 104 140 A D H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.879 106.7 50.4 -62.9 -41.0 40.8 -9.6 33.2 105 141 A E H > S+ 0 0 36 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.958 110.7 48.0 -61.7 -53.1 37.2 -11.0 33.0 106 142 A W H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.909 113.1 48.8 -53.1 -47.5 35.7 -8.0 34.8 107 143 A N H X S+ 0 0 47 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.852 107.3 53.9 -66.3 -34.8 37.7 -5.5 32.7 108 144 A E H X S+ 0 0 104 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.930 110.4 48.3 -63.7 -43.8 36.7 -7.2 29.4 109 145 A M H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 5,-0.3 0.918 117.3 40.0 -60.2 -49.2 33.0 -6.9 30.4 110 146 A I H X>S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.2 5,-1.7 0.965 120.3 43.6 -67.1 -52.4 33.2 -3.2 31.4 111 147 A Q H <>S+ 0 0 57 -4,-2.7 5,-1.7 1,-0.2 -2,-0.2 0.885 119.0 43.1 -62.6 -40.1 35.5 -2.2 28.6 112 148 A G H <5S+ 0 0 7 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.811 124.9 29.9 -79.4 -29.9 33.6 -4.1 25.9 113 149 A N H <5S+ 0 0 2 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.617 135.6 13.9-105.8 -20.5 30.0 -3.3 26.9 114 150 A L T >X5S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 3,-0.6 0.680 125.4 42.7-120.5 -66.2 30.2 0.1 28.5 115 151 A T H 3> S+ 0 0 9 -3,-0.6 4,-3.1 2,-0.2 5,-0.2 0.916 108.0 51.8 -62.1 -47.7 30.2 2.6 23.6 118 154 A F H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.918 110.1 50.7 -54.9 -43.5 31.5 5.8 25.3 119 155 A H H X S+ 0 0 7 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.870 112.9 44.8 -63.5 -39.5 34.4 5.7 22.9 120 156 A L H X S+ 0 0 3 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.896 112.8 50.0 -69.3 -43.2 32.2 5.2 19.8 121 157 A L H X S+ 0 0 2 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.949 104.8 58.8 -58.3 -50.1 29.8 8.0 20.9 122 158 A K H < S+ 0 0 64 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.814 117.2 33.5 -47.5 -37.0 32.8 10.3 21.5 123 159 A L H X S+ 0 0 48 -4,-0.9 4,-0.6 -3,-0.3 -2,-0.2 0.875 124.9 38.5 -86.4 -43.3 33.6 9.8 17.7 124 160 A V H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -3,-0.2 0.806 103.1 65.6 -86.4 -32.8 30.2 9.4 16.1 125 161 A V H X S+ 0 0 3 -4,-2.9 4,-2.5 -5,-0.3 5,-0.2 0.889 97.1 55.9 -61.4 -41.8 28.1 12.0 18.0 126 162 A P H > S+ 0 0 56 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.914 109.6 48.3 -55.9 -39.7 30.1 15.0 16.7 127 163 A V H X S+ 0 0 22 -4,-0.6 4,-2.0 1,-0.2 -2,-0.2 0.875 109.6 51.6 -67.6 -37.9 29.3 13.8 13.2 128 164 A M H X>S+ 0 0 0 -4,-1.8 5,-1.9 2,-0.2 4,-1.1 0.895 106.3 54.4 -66.6 -39.6 25.6 13.3 13.9 129 165 A R H ><5S+ 0 0 51 -4,-2.5 3,-0.9 2,-0.2 -2,-0.2 0.940 108.3 49.5 -56.5 -49.5 25.4 16.9 15.3 130 166 A K H 3<5S+ 0 0 184 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.895 113.9 45.8 -53.6 -46.0 26.8 18.2 12.1 131 167 A Q H 3<5S- 0 0 55 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.627 101.7-135.5 -68.7 -19.2 24.2 16.1 10.2 132 168 A N T <<5S+ 0 0 109 -4,-1.1 2,-0.2 -3,-0.9 -3,-0.2 0.900 77.9 88.7 52.2 43.5 21.4 17.2 12.5 133 169 A F < + 0 0 20 -5,-1.9 2,-0.3 -6,-0.1 46,-0.3 -0.829 47.1 155.6-168.2 126.7 20.4 13.5 12.5 134 170 A G E - 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f 0 234A 0 48,-2.8 50,-2.1 -2,-0.5 -44,-0.2 -0.858 8.7-158.5-108.5 100.3 16.7 -6.0 24.8 186 222 A P E - f 0 235A 18 0, 0.0 -44,-0.7 0, 0.0 50,-0.2 -0.406 13.7-129.4 -71.1 153.0 16.9 -9.4 23.1 187 223 A G - 0 0 16 48,-1.1 2,-2.6 -46,-0.1 53,-0.1 -0.246 51.0 -66.1 -82.8-175.3 15.7 -12.5 24.9 188 224 A D + 0 0 91 51,-0.3 2,-0.7 -2,-0.1 20,-0.1 -0.412 63.3 173.9 -79.0 66.9 17.8 -15.6 25.2 189 225 A I - 0 0 13 -2,-2.6 2,-0.7 18,-0.1 5,-0.1 -0.688 22.4-148.9 -73.5 114.2 17.8 -16.4 21.5 190 226 A I > - 0 0 138 -2,-0.7 3,-0.7 18,-0.1 2,-0.6 -0.827 36.1 -51.0-106.6 112.5 20.2 -19.4 21.5 191 227 A G G > S+ 0 0 47 -2,-0.7 3,-0.9 1,-0.2 4,-0.3 -0.613 120.9 18.1 90.1-115.5 22.5 -20.2 18.5 192 228 A E G > S+ 0 0 76 -2,-0.6 3,-0.8 1,-0.2 4,-0.4 0.703 115.4 69.3 -72.3 -23.1 21.2 -20.6 15.0 193 229 A M G < S+ 0 0 33 -3,-0.7 17,-1.3 1,-0.2 3,-0.4 0.760 85.1 71.3 -65.6 -25.7 18.0 -18.6 15.8 194 230 A K G < S+ 0 0 74 -3,-0.9 -177,-0.4 15,-0.2 -1,-0.2 0.805 111.4 28.6 -60.3 -33.3 20.2 -15.5 16.2 195 231 A E S < S+ 0 0 66 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.317 102.6 104.2-110.6 7.9 20.7 -15.4 12.4 196 232 A A - 0 0 8 -3,-0.4 15,-1.1 -4,-0.4 14,-0.7 -0.455 66.9-125.1 -79.7 158.3 17.4 -17.1 11.5 197 233 A T > - 0 0 37 13,-0.1 4,-1.2 -2,-0.1 5,-0.1 -0.487 26.0-106.1 -91.7 172.3 14.4 -15.1 10.1 198 234 A I H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.898 121.5 55.1 -64.8 -42.9 10.9 -15.1 11.5 199 235 A Q H > S+ 0 0 69 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.923 106.1 52.3 -57.0 -45.2 9.7 -17.3 8.6 200 236 A E H > S+ 0 0 108 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.807 109.5 49.3 -61.0 -31.7 12.4 -19.8 9.5 201 237 A A H < S+ 0 0 2 -4,-1.2 6,-0.3 -3,-0.2 -1,-0.2 0.842 108.4 53.3 -74.1 -32.8 11.1 -19.8 13.2 202 238 A R H < S+ 0 0 119 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.785 103.8 55.6 -73.4 -29.3 7.5 -20.3 12.0 203 239 A Q H < 0 0 89 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.901 360.0 360.0 -66.8 -43.9 8.5 -23.4 9.9 204 240 A L < 0 0 160 -4,-1.2 -2,-0.2 -5,-0.2 -3,-0.2 0.914 360.0 360.0 -71.3 360.0 9.9 -24.8 13.2 205 ! 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 0.0 206 249 A R 0 0 101 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 159.1 7.8 -19.9 18.4 207 250 A S - 0 0 51 -6,-0.3 2,-0.1 1,-0.1 -6,-0.1 -0.421 360.0-113.4 -75.9 151.0 11.4 -18.9 19.0 208 251 A G - 0 0 8 28,-0.2 2,-0.3 -2,-0.1 -18,-0.1 -0.401 39.6-169.3 -69.7 158.5 12.7 -15.4 18.9 209 252 A T > - 0 0 0 -2,-0.1 4,-1.1 -15,-0.1 -15,-0.2 -0.884 40.0 -96.9-143.8 172.5 15.2 -14.5 16.1 210 253 A G H > S+ 0 0 0 -17,-1.3 4,-2.9 -14,-0.7 3,-0.2 0.864 120.1 60.9 -59.7 -37.6 17.6 -11.9 14.8 211 254 A E H > S+ 0 0 31 -15,-1.1 4,-3.4 2,-0.2 5,-0.3 0.898 96.9 56.7 -59.6 -43.2 14.8 -10.6 12.6 212 255 A D H > S+ 0 0 3 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.898 115.1 40.1 -53.5 -39.9 12.6 -9.8 15.6 213 256 A I H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.2 -2,-0.2 0.900 114.7 52.4 -71.7 -43.7 15.5 -7.6 16.8 214 257 A A H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.907 107.5 49.8 -66.1 -42.9 16.3 -6.3 13.4 215 258 A R H X S+ 0 0 19 -4,-3.4 4,-1.5 2,-0.2 -1,-0.2 0.822 109.9 52.1 -69.8 -29.3 12.8 -5.1 12.6 216 259 A T H X S+ 0 0 0 -4,-1.0 4,-1.9 -5,-0.3 -2,-0.2 0.925 110.3 49.2 -64.1 -47.5 12.6 -3.3 15.9 217 260 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.922 111.1 48.7 -57.8 -45.8 15.9 -1.6 15.1 218 261 A S H X S+ 0 0 4 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.810 107.2 54.8 -73.3 -26.7 14.7 -0.5 11.6 219 262 A F H >< S+ 0 0 10 -4,-1.5 3,-0.8 -5,-0.2 -1,-0.2 0.940 111.3 47.1 -60.5 -43.6 11.5 0.9 13.1 220 263 A L H 3< S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.775 107.3 55.7 -71.0 -28.4 13.6 3.0 15.4 221 264 A C H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.578 82.9 113.3 -82.6 -10.3 16.0 4.2 12.6 222 265 A E S X< S- 0 0 55 -3,-0.8 3,-1.3 -4,-0.6 -3,-0.0 -0.252 76.7-121.5 -59.4 147.7 13.1 5.6 10.6 223 266 A D G > S+ 0 0 74 1,-0.3 3,-0.9 2,-0.1 -1,-0.1 0.880 111.8 54.4 -57.5 -42.9 12.9 9.4 10.1 224 267 A D G 3 S+ 0 0 60 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.360 89.1 80.3 -79.5 5.5 9.5 9.7 11.7 225 268 A S G X + 0 0 1 -3,-1.3 3,-1.8 1,-0.2 -1,-0.3 0.208 56.2 115.1 -90.3 12.4 10.7 7.8 14.8 226 269 A D T < + 0 0 35 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.675 69.3 56.5 -62.8 -16.7 12.3 11.1 16.1 227 270 A M T 3 S+ 0 0 18 -3,-0.4 497,-2.0 1,-0.1 2,-0.9 0.594 87.5 87.8 -88.9 -8.4 10.0 11.3 19.2 228 271 A I < + 0 0 2 -3,-1.8 2,-0.3 494,-0.2 494,-0.2 -0.789 58.4 135.9 -91.1 106.7 11.1 7.8 20.4 229 272 A T + 0 0 7 -2,-0.9 496,-0.5 492,-0.4 494,-0.3 -0.994 52.5 24.1-154.6 147.3 14.1 8.3 22.6 230 273 A G S S+ 0 0 5 -49,-3.0 2,-0.4 -2,-0.3 -48,-0.2 0.682 87.2 136.8 71.2 21.6 15.5 7.1 25.9 231 274 A T - 0 0 3 -50,-0.3 -48,-2.6 490,-0.1 2,-0.7 -0.799 49.3-148.6-108.7 144.1 13.3 3.9 25.6 232 275 A I E -f 183 0A 11 -2,-0.4 2,-0.6 487,-0.3 487,-0.4 -0.923 18.9-163.1-108.6 105.5 14.2 0.3 26.4 233 276 A I E -f 184 0A 0 -50,-3.2 -48,-2.8 -2,-0.7 2,-0.5 -0.832 6.5-148.2 -97.7 119.3 12.2 -1.9 24.1 234 277 A E E -f 185 0A 29 -2,-0.6 482,-0.5 -50,-0.2 2,-0.4 -0.754 17.0-179.7 -89.4 126.1 12.0 -5.6 25.1 235 278 A V E +f 186 0A 4 -50,-2.1 -48,-1.1 -2,-0.5 480,-0.2 -0.698 46.0 113.6-120.3 72.2 11.8 -8.2 22.3 236 279 A T S S- 0 0 8 478,-0.5 479,-0.2 -2,-0.4 -28,-0.2 0.717 74.7-125.0-114.2 -35.2 11.6 -11.3 24.4 237 280 A G - 0 0 19 477,-1.3 478,-0.1 479,-0.3 480,-0.1 0.731 66.3 -68.4 82.7 26.8 8.2 -12.8 23.9 238 281 A A S S+ 0 0 22 478,-0.4 2,-0.3 476,-0.3 -1,-0.1 0.976 93.4 138.0 60.2 64.4 7.3 -12.8 27.7 239 282 A V - 0 0 79 0, 0.0 -51,-0.3 0, 0.0 -1,-0.2 -0.877 52.7-125.2-149.0 101.7 9.9 -15.5 28.7 240 283 A D + 0 0 73 -2,-0.3 -97,-0.0 1,-0.1 -53,-0.0 -0.232 35.7 162.8 -58.4 131.3 11.9 -15.1 31.9 241 284 A V + 0 0 39 -99,-0.1 -1,-0.1 -54,-0.0 -98,-0.1 0.730 67.8 51.9-111.4 -41.5 15.7 -15.3 31.4 242 285 A I 0 0 11 -100,-0.2 -91,-0.3 -92,-0.0 -2,-0.1 0.253 360.0 360.0 -95.8 10.6 17.3 -13.8 34.5 243 286 A H 0 0 112 -93,-0.1 -93,-0.0 241,-0.0 0, 0.0 -0.245 360.0 360.0-130.5 360.0 15.5 -15.7 37.4 244 !* 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 0.0 245 37 B F 0 0 144 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 23.3 3.3 12.9 75.0 246 38 B V - 0 0 71 1,-0.0 2,-0.1 25,-0.0 25,-0.1 -0.796 360.0-109.6 -91.5 136.3 3.6 9.2 74.0 247 39 B R - 0 0 63 -2,-0.4 25,-2.1 1,-0.1 2,-0.5 -0.402 30.2-140.1 -73.0 139.8 3.4 8.6 70.3 248 40 B H E -g 272 0B 0 23,-0.2 78,-2.3 -2,-0.1 79,-2.2 -0.875 12.5-161.9-109.7 128.0 0.3 6.8 69.0 249 41 B A E -gh 273 327B 0 23,-3.0 25,-2.8 -2,-0.5 2,-0.5 -0.830 6.5-158.3-104.3 143.2 0.1 4.2 66.3 250 42 B L E -gh 274 328B 0 77,-2.9 79,-3.1 -2,-0.4 2,-0.5 -0.986 18.0-177.8-116.7 121.4 -2.9 3.0 64.3 251 43 B I E > -gh 275 329B 0 23,-2.5 25,-2.1 -2,-0.5 3,-0.6 -0.960 20.0-140.2-130.4 115.7 -2.5 -0.5 62.8 252 44 B T T 3 S+ 0 0 4 77,-1.8 79,-0.3 -2,-0.5 80,-0.1 -0.542 85.9 1.5 -72.8 132.5 -4.9 -2.3 60.6 253 45 B A T 3 S+ 0 0 36 -2,-0.3 3,-0.3 78,-0.1 6,-0.3 0.957 81.2 154.8 57.8 59.1 -5.2 -6.1 61.3 254 46 B G < + 0 0 0 22,-1.6 9,-0.2 -3,-0.6 23,-0.1 0.231 50.1 71.6-107.4 14.5 -2.8 -6.1 64.2 255 47 B T S S+ 0 0 12 21,-0.4 2,-0.3 8,-0.1 -1,-0.2 0.418 100.2 42.1-102.7 -4.0 -3.9 -9.2 66.3 256 48 B K S >> S- 0 0 106 -3,-0.3 4,-0.9 182,-0.0 3,-0.7 -0.963 103.5 -14.4-139.8 156.5 -2.6 -11.8 63.8 257 49 B G H >> S- 0 0 16 -2,-0.3 4,-1.1 1,-0.2 3,-0.7 -0.093 123.8 -9.9 59.7-146.6 0.3 -12.6 61.5 258 50 B L H >> S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 3,-0.7 0.906 133.9 63.6 -50.6 -42.4 2.8 -9.9 60.6 259 51 B G H <> S+ 0 0 0 -3,-0.7 4,-2.8 -6,-0.3 -1,-0.2 0.855 96.9 55.9 -52.1 -44.2 0.4 -7.4 62.3 260 52 B K H <>S+ 0 0 1 -4,-2.3 5,-2.0 1,-0.2 3,-0.5 0.919 110.8 50.8 -59.7 -43.5 5.5 -0.7 69.1 267 59 B L H ><5S+ 0 0 8 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.929 109.1 51.1 -56.5 -46.5 4.4 -1.6 72.7 268 60 B A H 3<5S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.709 105.0 58.2 -64.2 -20.9 7.9 -2.6 73.6 269 61 B K T <<5S- 0 0 102 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.421 123.6-103.0 -89.5 2.1 9.1 0.8 72.2 270 62 B G T < 5S+ 0 0 32 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.389 76.6 134.9 95.1 0.3 6.8 2.7 74.7 271 63 B Y < - 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0 0 4 -52,-0.3 -50,-2.4 -485,-0.1 2,-0.6 -0.709 51.7-142.7-108.5 154.9 17.6 -2.8 49.0 964 275 D I E -x 913 0D 16 -488,-0.4 2,-0.7 -2,-0.3 -488,-0.3 -0.940 14.3-160.4-113.7 111.9 18.0 0.8 48.1 965 276 D I E -x 914 0D 0 -52,-2.8 -50,-3.2 -2,-0.6 2,-0.6 -0.825 6.5-152.2 -95.6 116.3 17.3 3.3 50.9 966 277 D E E -x 915 0D 29 -2,-0.7 -493,-0.5 -52,-0.2 2,-0.4 -0.788 14.8-179.8 -86.0 122.6 16.6 6.8 49.7 967 278 D V E +x 916 0D 4 -52,-2.8 -50,-1.4 -2,-0.6 -495,-0.2 -0.641 42.8 117.6-117.8 70.2 17.6 9.4 52.3 968 279 D T S > S- 0 0 9 -497,-0.4 3,-1.2 -2,-0.4 -50,-0.3 0.479 72.7-128.4-116.5 -7.1 16.6 12.5 50.3 969 280 D G T 3 - 0 0 7 -498,-2.7 -497,-0.1 1,-0.2 3,-0.1 0.812 69.9 -65.3 51.4 36.0 13.8 14.1 52.4 970 281 D A T 3 S+ 0 0 12 -497,-0.4 2,-0.6 -499,-0.3 -1,-0.2 0.688 99.2 138.9 65.7 23.4 11.6 14.2 49.2 971 282 D V < - 0 0 62 -3,-1.2 -53,-0.2 -35,-0.0 2,-0.2 -0.893 50.8-131.5-105.3 118.5 13.9 16.7 47.5 972 283 D D + 0 0 69 -2,-0.6 -99,-0.0 1,-0.2 -55,-0.0 -0.478 33.2 164.4 -71.5 132.0 14.6 16.1 43.8 973 284 D V + 0 0 34 -2,-0.2 -1,-0.2 -101,-0.1 -100,-0.1 0.777 68.9 52.6-107.8 -61.2 18.2 16.1 42.7 974 285 D I 0 0 10 -102,-0.3 -93,-0.3 -94,-0.0 -2,-0.1 0.434 360.0 360.0 -69.4 0.9 18.5 14.5 39.2 975 286 D H 0 0 113 -95,-0.1 -1,-0.0 -248,-0.0 -248,-0.0 0.254 360.0 360.0-129.6 360.0 15.8 16.8 37.7