==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-APR-99 3HDH . COMPND 2 MOLECULE: PROTEIN (L-3-HYDROXYACYL COA DEHYDROGENASE); . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR J.J.BARYCKI,L.K.O'BRIEN,J.J.BIRKTOFT,A.W.STRAUSS, . 847 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39168.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 617 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 91 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 2 0.2 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 . 52 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 312 36.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.7 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 2 1 3 4 1 0 2 4 6 3 1 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 8 3 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 PARALLEL BRIDGES PER LADDER . 4 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 0 1 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 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 12 A K 0 0 129 0, 0.0 2,-0.3 0, 0.0 169,-0.1 0.000 360.0 360.0 360.0-165.0 67.3 -44.1 23.6 2 13 A I - 0 0 37 167,-0.4 2,-0.7 168,-0.1 89,-0.0 -0.965 360.0-132.5-134.1 148.2 68.8 -40.8 22.4 3 14 A L - 0 0 109 -2,-0.3 2,-0.5 173,-0.1 170,-0.1 -0.900 25.3-136.2-103.0 116.0 69.5 -37.5 24.1 4 15 A V + 0 0 6 -2,-0.7 3,-0.1 169,-0.3 86,-0.0 -0.605 46.3 141.4 -76.1 120.9 68.4 -34.6 22.0 5 16 A K + 0 0 108 -2,-0.5 24,-2.0 1,-0.3 2,-0.5 0.635 61.0 53.6-122.3 -49.4 71.0 -31.8 21.9 6 17 A H E -a 29 0A 36 22,-0.2 85,-1.6 83,-0.1 86,-1.0 -0.827 69.4-172.5 -95.2 129.3 71.0 -30.4 18.4 7 18 A V E -ab 30 92A 0 22,-3.5 24,-2.3 -2,-0.5 2,-0.6 -0.978 12.6-158.8-129.5 124.9 67.6 -29.4 17.1 8 19 A T E -ab 31 93A 0 84,-3.3 86,-2.8 -2,-0.4 2,-0.6 -0.886 9.8-164.5-103.9 123.9 66.7 -28.3 13.6 9 20 A V E -ab 32 94A 0 22,-3.2 24,-3.5 -2,-0.6 2,-0.5 -0.929 2.1-160.1-113.0 119.8 63.5 -26.2 13.3 10 21 A I E +ab 33 95A 7 84,-2.2 86,-1.5 -2,-0.6 24,-0.2 -0.836 66.4 32.7 -99.7 131.1 62.0 -25.8 9.9 11 22 A G - 0 0 5 22,-3.4 23,-0.2 -2,-0.5 22,-0.1 0.593 64.3-151.8 91.7 113.5 59.6 -22.9 9.5 12 23 A G + 0 0 5 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.169 55.4 105.5-114.7 43.4 60.3 -19.8 11.5 13 24 A G S >>S- 0 0 43 83,-0.4 4,-3.8 4,-0.0 5,-0.5 -0.094 90.4 -44.4 -99.6-157.5 56.9 -18.2 12.0 14 25 A L H >5S+ 0 0 120 1,-0.2 4,-1.4 2,-0.2 138,-0.2 0.863 138.4 29.3 -34.4 -72.2 54.6 -18.1 15.1 15 26 A M H >5S+ 0 0 37 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.923 124.6 46.7 -60.8 -49.4 55.0 -21.7 16.2 16 27 A G H >5S+ 0 0 1 80,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.915 108.3 52.7 -62.7 -46.3 58.5 -22.3 14.9 17 28 A A H X5S+ 0 0 18 -4,-3.8 4,-2.4 1,-0.2 -1,-0.2 0.908 113.3 49.3 -56.1 -37.7 60.0 -19.1 16.3 18 29 A G H XS+ 0 0 0 -4,-2.0 5,-0.8 -5,-0.3 -1,-0.2 0.918 115.9 43.9 -58.9 -41.1 64.7 -25.1 22.8 24 35 A A H >X5S+ 0 0 3 -4,-2.5 3,-2.8 3,-0.2 4,-0.6 0.996 106.3 55.5 -65.0 -68.3 67.6 -22.6 23.1 25 36 A A H 3<5S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.688 107.5 54.8 -39.0 -25.2 66.8 -21.1 26.5 26 37 A T T 3<5S- 0 0 46 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.040 129.7 -95.2-103.8 29.5 66.9 -24.7 27.8 27 38 A G T <45S+ 0 0 58 -3,-2.8 2,-0.4 1,-0.2 -3,-0.2 0.888 75.8 139.0 62.3 49.8 70.4 -25.2 26.3 28 39 A H << - 0 0 4 -5,-0.8 2,-0.6 -4,-0.6 -1,-0.2 -0.948 56.1-119.0-120.9 143.2 69.8 -26.8 23.0 29 40 A T E -a 6 0A 76 -24,-2.0 -22,-3.5 -2,-0.4 2,-0.5 -0.720 39.9-163.1 -81.3 121.8 71.8 -26.0 19.8 30 41 A V E -ac 7 77A 0 46,-2.5 48,-2.9 -2,-0.6 2,-0.6 -0.924 21.4-167.8-119.4 129.6 69.2 -24.7 17.4 31 42 A V E -ac 8 78A 7 -24,-2.3 -22,-3.2 -2,-0.5 2,-0.7 -0.950 15.7-154.9-108.5 124.1 69.3 -24.3 13.7 32 43 A L E -ac 9 79A 2 46,-3.4 48,-1.4 -2,-0.6 2,-0.4 -0.892 13.2-170.3-105.6 111.0 66.3 -22.2 12.4 33 44 A V E +ac 10 80A 6 -24,-3.5 -22,-3.4 -2,-0.7 2,-0.2 -0.834 18.9 140.9-105.7 135.4 65.4 -22.9 8.8 34 45 A D - 0 0 28 46,-1.4 49,-0.1 -2,-0.4 3,-0.1 -0.748 56.0 -90.1-148.0-165.2 63.0 -21.0 6.6 35 46 A Q S S+ 0 0 166 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.905 98.5 39.4 -87.6 -45.9 62.8 -19.9 3.0 36 47 A T > - 0 0 57 1,-0.1 4,-2.6 44,-0.1 3,-0.3 -0.892 67.5-136.1-112.0 140.1 64.4 -16.4 2.8 37 48 A E H > S+ 0 0 142 -2,-0.4 4,-1.2 1,-0.3 -1,-0.1 0.738 114.5 52.7 -59.4 -20.6 67.4 -15.2 4.6 38 49 A D H > S+ 0 0 122 2,-0.2 4,-2.4 3,-0.1 -1,-0.3 0.827 103.7 54.0 -82.8 -34.8 65.3 -12.1 5.2 39 50 A I H > S+ 0 0 58 -3,-0.3 4,-3.1 1,-0.2 -2,-0.2 0.955 110.8 47.7 -60.5 -47.3 62.4 -14.2 6.6 40 51 A L H X S+ 0 0 4 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.875 107.2 57.4 -60.4 -40.2 65.0 -15.6 9.0 41 52 A A H X S+ 0 0 59 -4,-1.2 4,-2.2 -5,-0.2 -2,-0.2 0.978 113.3 37.3 -55.3 -60.9 66.1 -12.1 9.8 42 53 A K H X S+ 0 0 168 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.905 114.3 58.3 -58.0 -43.0 62.7 -10.9 10.9 43 54 A S H X S+ 0 0 13 -4,-3.1 4,-1.7 -5,-0.3 -1,-0.2 0.953 109.7 42.2 -50.6 -56.7 62.0 -14.3 12.5 44 55 A K H X S+ 0 0 66 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.866 108.6 59.9 -61.5 -39.6 65.1 -14.0 14.7 45 56 A K H >X S+ 0 0 141 -4,-2.2 4,-2.5 -5,-0.3 3,-0.5 0.968 106.4 47.3 -53.6 -54.5 64.4 -10.4 15.5 46 57 A G H 3X S+ 0 0 34 -4,-2.4 4,-2.6 1,-0.3 -1,-0.2 0.868 108.2 55.2 -54.8 -40.5 61.0 -11.3 17.0 47 58 A I H 3X S+ 0 0 3 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.3 0.874 109.7 47.6 -61.0 -37.1 62.6 -14.1 19.0 48 59 A E H 4 S+ 0 0 158 -3,-0.5 3,-0.9 -4,-0.3 -2,-0.2 0.876 119.0 41.7 -97.6 -53.3 60.2 -10.8 34.2 58 69 A K H 3< S+ 0 0 145 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.819 132.4 24.8 -66.3 -33.0 62.5 -13.6 35.0 59 70 A F T >< S+ 0 0 54 -4,-2.6 3,-1.8 -5,-0.2 7,-0.3 -0.132 77.3 136.0-123.5 35.7 65.5 -11.3 35.9 60 71 A A T < S+ 0 0 66 -3,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.808 72.1 56.1 -52.9 -32.5 63.5 -8.2 36.9 61 72 A E T 3 S+ 0 0 195 1,-0.3 -1,-0.3 -4,-0.2 -5,-0.1 0.028 119.3 28.4 -93.2 28.8 65.8 -7.8 40.0 62 73 A N <> - 0 0 80 -3,-1.8 4,-1.6 -6,-0.1 3,-0.3 -0.196 60.9-177.1 175.1 78.7 69.0 -7.8 37.9 63 74 A P H > S+ 0 0 78 0, 0.0 4,-3.3 0, 0.0 5,-0.2 0.766 84.0 62.8 -55.6 -31.3 68.7 -6.4 34.3 64 75 A K H > S+ 0 0 138 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.964 107.0 43.6 -60.6 -52.2 72.4 -7.2 33.6 65 76 A A H > S+ 0 0 16 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.862 111.9 56.7 -60.1 -34.7 71.8 -10.9 34.1 66 77 A G H X S+ 0 0 0 -4,-1.6 4,-1.9 -7,-0.3 -2,-0.2 0.971 106.2 47.3 -59.5 -54.6 68.7 -10.3 32.1 67 78 A D H X S+ 0 0 67 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.744 110.9 53.4 -57.5 -29.4 70.7 -8.9 29.1 68 79 A E H X S+ 0 0 95 -4,-1.7 4,-2.7 2,-0.2 5,-0.4 0.954 103.8 55.2 -70.6 -51.5 73.1 -11.9 29.4 69 80 A F H X S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.911 109.6 47.4 -46.0 -51.3 70.3 -14.4 29.2 70 81 A V H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.906 115.6 44.5 -61.6 -42.6 69.1 -12.9 26.0 71 82 A E H X S+ 0 0 139 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.990 116.0 43.1 -65.2 -61.0 72.6 -12.8 24.5 72 83 A K H >X S+ 0 0 167 -4,-2.7 4,-1.2 2,-0.2 3,-0.8 0.955 119.5 46.1 -47.3 -58.5 73.8 -16.3 25.5 73 84 A T H >< S+ 0 0 9 -4,-2.3 3,-2.0 -5,-0.4 4,-0.2 0.956 111.3 48.1 -46.9 -72.3 70.4 -17.7 24.5 74 85 A L H >< S+ 0 0 21 -4,-2.2 3,-0.8 1,-0.3 -1,-0.2 0.641 104.7 62.1 -48.1 -21.7 70.0 -16.0 21.2 75 86 A S H << S+ 0 0 87 -4,-1.7 -1,-0.3 -3,-0.8 -2,-0.2 0.865 90.8 65.3 -76.3 -34.7 73.5 -17.0 20.2 76 87 A S T << S+ 0 0 44 -3,-2.0 -46,-2.5 -4,-1.2 2,-0.7 0.461 89.1 87.3 -64.9 0.6 72.7 -20.7 20.4 77 88 A I E < +c 30 0A 2 -3,-0.8 2,-0.3 -4,-0.2 -46,-0.2 -0.900 56.6 173.3-109.2 111.8 70.3 -20.0 17.5 78 89 A S E -c 31 0A 55 -48,-2.9 -46,-3.4 -2,-0.7 2,-0.2 -0.735 16.7-141.9-108.2 159.9 71.9 -20.2 14.0 79 90 A T E +c 32 0A 67 -2,-0.3 2,-0.3 -48,-0.2 -46,-0.2 -0.758 18.7 174.0-122.5 171.2 70.0 -20.0 10.7 80 91 A S E -c 33 0A 22 -48,-1.4 -46,-1.4 -2,-0.2 3,-0.2 -0.947 29.5-147.7-167.3 151.0 69.9 -21.5 7.2 81 92 A T S S+ 0 0 66 -2,-0.3 2,-0.4 1,-0.2 3,-0.1 0.431 94.4 58.1-102.8 -3.3 67.8 -21.3 4.1 82 93 A D > + 0 0 66 1,-0.2 3,-1.8 2,-0.0 4,-0.3 -0.765 54.5 179.7-132.9 92.5 68.6 -24.9 3.3 83 94 A A G >> S+ 0 0 8 -2,-0.4 3,-3.0 1,-0.3 4,-0.7 0.894 75.3 81.3 -51.4 -41.6 67.7 -27.5 5.8 84 95 A A G 34 S+ 0 0 11 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.694 96.7 40.9 -37.1 -32.6 69.2 -30.1 3.4 85 96 A S G <4 S+ 0 0 64 -3,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.435 112.0 50.8-103.4 -1.3 72.7 -29.3 4.6 86 97 A V T <4 S+ 0 0 28 -3,-3.0 -2,-0.2 -4,-0.3 -1,-0.1 0.276 94.8 72.4-117.3 11.1 72.3 -28.9 8.4 87 98 A V S < S+ 0 0 0 -4,-0.7 29,-1.2 2,-0.2 -2,-0.1 0.501 71.9 78.0-105.1 -6.6 70.4 -32.1 9.1 88 99 A H S S+ 0 0 114 27,-0.3 -1,-0.1 1,-0.2 29,-0.1 0.661 109.8 33.7 -74.2 -15.8 73.1 -34.8 8.7 89 100 A S S S+ 0 0 67 -3,-0.1 -1,-0.2 27,-0.1 -2,-0.2 0.391 96.4 105.0-118.3 -1.9 74.2 -33.7 12.1 90 101 A T - 0 0 0 1,-0.1 26,-0.4 -3,-0.1 -83,-0.2 -0.472 54.3-153.6 -82.9 154.6 71.0 -32.8 13.8 91 102 A D S S+ 0 0 26 -85,-1.6 29,-2.1 1,-0.3 2,-0.3 0.756 79.1 19.4 -94.7 -29.3 69.3 -35.0 16.5 92 103 A L E -bd 7 120A 0 -86,-1.0 -84,-3.3 27,-0.2 2,-0.6 -0.999 59.0-155.2-146.5 139.4 65.7 -33.8 15.9 93 104 A V E -bd 8 121A 0 27,-2.8 29,-2.2 -2,-0.3 2,-0.7 -0.966 11.4-168.2-116.4 115.6 63.8 -32.1 13.2 94 105 A V E -bd 9 122A 0 -86,-2.8 -84,-2.2 -2,-0.6 2,-0.4 -0.934 9.5-159.3-107.7 116.1 60.8 -30.2 14.3 95 106 A E E +bd 10 123A 0 27,-3.0 29,-1.7 -2,-0.7 51,-0.2 -0.776 26.3 156.2 -97.4 136.6 58.7 -29.1 11.4 96 107 A A + 0 0 18 -86,-1.5 -83,-0.4 -2,-0.4 -80,-0.4 -0.405 29.8 126.2-159.4 68.1 56.2 -26.3 11.6 97 108 A I - 0 0 39 1,-0.3 3,-0.2 -85,-0.1 27,-0.1 -0.637 68.0 -26.7-117.9 177.1 55.6 -24.9 8.2 98 109 A V - 0 0 101 -2,-0.2 2,-2.5 1,-0.2 -1,-0.3 0.197 65.2-113.6 -28.2 131.8 52.4 -24.3 6.2 99 110 A E S S+ 0 0 55 -3,-0.1 2,-0.4 4,-0.1 -1,-0.2 -0.462 74.3 126.1 -74.3 75.8 49.5 -26.7 7.1 100 111 A N > - 0 0 61 -2,-2.5 4,-2.2 -3,-0.2 5,-0.3 -0.944 54.8-150.5-142.2 118.9 49.6 -28.4 3.7 101 112 A L H > S+ 0 0 72 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.917 96.5 50.8 -52.5 -53.2 49.9 -32.1 3.1 102 113 A K H > S+ 0 0 167 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 113.0 44.6 -50.1 -54.8 51.6 -31.8 -0.3 103 114 A V H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.934 114.0 46.2 -59.8 -53.5 54.3 -29.5 0.9 104 115 A K H X S+ 0 0 1 -4,-2.2 4,-2.9 -6,-0.2 5,-0.3 0.924 110.4 56.6 -55.6 -46.7 55.2 -31.2 4.2 105 116 A S H X S+ 0 0 25 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.877 107.9 45.9 -52.5 -46.7 55.3 -34.5 2.4 106 117 A E H X S+ 0 0 108 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.930 112.7 52.2 -63.7 -44.6 57.9 -33.3 -0.1 107 118 A L H X S+ 0 0 44 -4,-2.3 4,-3.6 2,-0.2 5,-0.2 0.964 115.5 37.8 -56.1 -58.8 60.0 -31.8 2.7 108 119 A F H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.908 113.5 56.5 -60.5 -43.1 60.1 -34.9 4.8 109 120 A K H < S+ 0 0 92 -4,-2.4 4,-0.4 -5,-0.3 -1,-0.2 0.910 115.2 39.9 -55.2 -42.0 60.5 -37.1 1.8 110 121 A R H >X S+ 0 0 130 -4,-2.6 3,-2.0 -5,-0.2 4,-0.6 0.970 115.1 49.5 -72.6 -54.6 63.5 -35.1 0.9 111 122 A L H >X S+ 0 0 4 -4,-3.6 4,-2.3 1,-0.3 3,-0.9 0.798 96.3 71.7 -55.6 -32.0 64.9 -34.7 4.4 112 123 A D H 3< S+ 0 0 21 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.776 96.8 54.3 -56.3 -24.3 64.6 -38.4 5.0 113 124 A K H <4 S+ 0 0 156 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.802 116.8 30.9 -81.6 -30.2 67.5 -38.8 2.6 114 125 A F H << S+ 0 0 88 -3,-0.9 -2,-0.2 -4,-0.6 -3,-0.1 0.867 93.2 92.9 -98.4 -43.9 70.0 -36.4 4.3 115 126 A A S < S- 0 0 9 -4,-2.3 -27,-0.3 1,-0.1 -24,-0.1 -0.035 84.6 -97.1 -48.6 155.5 69.3 -36.5 8.0 116 127 A A > - 0 0 23 -29,-1.2 3,-0.8 -26,-0.4 -1,-0.1 -0.298 33.9-106.2 -71.7 162.6 71.3 -39.0 10.0 117 128 A E T 3 S+ 0 0 168 1,-0.2 -1,-0.1 -29,-0.1 -2,-0.1 0.878 118.0 48.9 -56.2 -46.5 69.9 -42.4 10.9 118 129 A H T 3 S+ 0 0 69 2,-0.1 -1,-0.2 -26,-0.0 -27,-0.0 0.641 86.6 119.2 -72.3 -15.1 69.3 -41.7 14.6 119 130 A T < - 0 0 0 -3,-0.8 2,-0.4 -29,-0.1 -27,-0.2 -0.257 55.9-142.4 -60.0 133.3 67.5 -38.5 13.7 120 131 A I E -d 92 0A 6 -29,-2.1 -27,-2.8 50,-0.0 2,-0.4 -0.804 5.9-148.3-101.0 134.2 63.9 -38.1 14.8 121 132 A F E +de 93 143A 0 21,-2.8 23,-1.9 -2,-0.4 2,-0.4 -0.845 19.3 176.8-101.6 137.1 61.3 -36.4 12.6 122 133 A A E -de 94 144A 0 -29,-2.2 -27,-3.0 -2,-0.4 2,-0.4 -0.994 14.9-155.4-142.7 132.6 58.4 -34.6 14.3 123 134 A S E -de 95 145A 1 21,-1.8 23,-2.8 -2,-0.4 -27,-0.2 -0.835 10.6-155.5-107.4 148.9 55.6 -32.5 12.8 124 135 A N + 0 0 11 -29,-1.7 24,-0.2 -2,-0.4 -28,-0.1 0.070 43.8 148.6-104.6 20.0 53.8 -29.8 14.7 125 136 A T - 0 0 2 1,-0.1 -2,-0.1 -30,-0.1 5,-0.1 -0.270 34.2-166.4 -59.2 136.0 50.7 -30.2 12.5 126 137 A S S S+ 0 0 38 3,-0.0 67,-0.5 21,-0.0 -1,-0.1 0.840 84.9 19.4 -90.4 -36.5 47.4 -29.5 14.1 127 138 A S S S+ 0 0 33 65,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.616 100.7 85.2-113.3 -13.7 45.2 -31.0 11.4 128 139 A L S S- 0 0 31 1,-0.1 2,-0.5 64,-0.0 3,-0.0 -0.349 83.4 -94.4 -86.3 172.0 47.1 -33.5 9.1 129 140 A Q > - 0 0 97 1,-0.2 4,-1.7 -2,-0.1 3,-0.4 -0.749 18.1-151.2 -88.0 125.4 47.7 -37.1 9.8 130 141 A I H > S+ 0 0 0 -2,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.750 99.1 59.7 -63.8 -19.3 51.0 -37.9 11.5 131 142 A T H > S+ 0 0 33 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.871 100.4 50.5 -76.7 -38.7 50.7 -41.2 9.7 132 143 A S H 4 S+ 0 0 44 -3,-0.4 4,-0.3 2,-0.2 -2,-0.2 0.977 114.2 45.7 -61.5 -53.4 50.6 -39.8 6.2 133 144 A L H >< S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.2 -2,-0.2 0.914 110.8 52.4 -54.5 -50.1 53.7 -37.7 6.9 134 145 A A H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.3 5,-0.4 0.893 105.6 55.2 -56.9 -40.9 55.5 -40.6 8.5 135 146 A N T 3< S+ 0 0 86 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.467 89.5 74.7 -74.3 0.0 54.9 -42.8 5.4 136 147 A A T < S+ 0 0 20 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.3 0.109 103.7 45.9 -92.9 18.5 56.4 -40.2 3.2 137 148 A T S < S- 0 0 8 -3,-1.0 3,-0.3 -25,-0.1 -28,-0.1 -0.921 79.9-128.9-148.1 169.7 59.7 -41.5 4.6 138 149 A T S S+ 0 0 114 -2,-0.3 3,-0.2 1,-0.2 -3,-0.1 0.036 98.6 79.8-110.4 22.7 61.3 -44.9 5.4 139 150 A R > + 0 0 9 -5,-0.4 3,-3.9 1,-0.1 -18,-0.2 0.170 48.3 135.6-115.2 14.4 61.9 -43.7 8.9 140 151 A Q G > + 0 0 49 -6,-0.3 3,-1.3 -3,-0.3 23,-0.2 0.697 66.9 63.1 -34.6 -36.0 58.4 -44.2 10.3 141 152 A D G 3 S+ 0 0 61 1,-0.3 26,-2.4 25,-0.2 -1,-0.3 0.777 109.2 42.8 -65.9 -24.0 59.8 -45.8 13.5 142 153 A R G < S+ 0 0 58 -3,-3.9 -21,-2.8 24,-0.2 2,-0.4 -0.248 97.4 94.9-115.0 40.0 61.4 -42.4 14.2 143 154 A F E < +e 121 0A 0 -3,-1.3 20,-0.4 -23,-0.2 2,-0.3 -0.995 42.2 142.1-134.3 136.5 58.5 -40.2 13.2 144 155 A A E -e 122 0A 0 -23,-1.9 -21,-1.8 -2,-0.4 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2,-0.4 -5,-0.1 -2,-0.2 0.863 95.1 86.4 -91.2 -39.3 53.9 -19.8 27.7 155 166 A M < - 0 0 44 -4,-2.5 -6,-0.2 -6,-0.4 365,-0.1 -0.492 53.4-167.6 -70.2 118.9 52.0 -23.1 27.1 156 167 A K + 0 0 86 -2,-0.4 28,-4.3 363,-0.4 2,-0.2 0.609 60.3 93.5 -79.7 -11.2 53.3 -25.8 29.3 157 168 A L E + g 0 184A 1 362,-0.4 -8,-0.5 26,-0.2 2,-0.3 -0.553 44.9 171.5 -90.5 149.5 51.5 -28.5 27.4 158 169 A V E - g 0 185A 0 26,-1.4 28,-1.7 -2,-0.2 2,-0.6 -0.972 22.1-142.5-150.6 134.2 52.8 -30.6 24.4 159 170 A E E -Fg 147 186A 0 -12,-2.8 -12,-2.9 -2,-0.3 2,-1.1 -0.883 6.3-153.8-104.4 122.8 51.1 -33.6 22.7 160 171 A V E -Fg 146 187A 4 26,-2.0 28,-2.3 -2,-0.6 2,-0.6 -0.820 16.8-160.8 -97.3 101.4 53.3 -36.4 21.7 161 172 A V E -Fg 145 188A 0 -16,-2.7 -16,-3.5 -2,-1.1 2,-0.3 -0.737 7.6-168.3 -85.1 119.2 51.4 -37.9 18.8 162 173 A K E - g 0 189A 56 26,-2.4 28,-1.0 -2,-0.6 -18,-0.1 -0.835 9.9-152.0-111.4 147.7 52.4 -41.5 17.9 163 174 A T > - 0 0 1 -20,-0.4 3,-1.5 -2,-0.3 -20,-0.1 -0.616 41.8 -96.9-103.5 170.6 51.4 -43.6 14.9 164 175 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.0 0, 0.0 -23,-0.0 0.719 125.6 54.8 -62.1 -17.1 51.3 -47.4 15.0 165 176 A M T 3 S+ 0 0 64 -25,-0.1 2,-0.3 -22,-0.1 -21,-0.0 0.609 79.5 111.0 -91.9 -14.5 54.8 -47.3 13.6 166 177 A T < - 0 0 9 -3,-1.5 -25,-0.2 -24,-0.1 -24,-0.2 -0.457 63.9-132.5 -69.2 125.2 56.5 -45.1 16.2 167 178 A S > - 0 0 35 -26,-2.4 4,-2.0 -2,-0.3 3,-0.3 -0.432 13.1-124.1 -78.5 152.4 59.0 -46.9 18.4 168 179 A Q H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.774 112.5 61.1 -62.6 -28.8 59.0 -46.6 22.2 169 180 A K H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -167,-0.4 0.928 104.5 48.1 -64.3 -44.6 62.7 -45.5 21.9 170 181 A T H > S+ 0 0 3 -3,-0.3 4,-2.3 -29,-0.3 -2,-0.2 0.940 111.3 50.7 -62.3 -48.2 61.6 -42.6 19.8 171 182 A L H X S+ 0 0 12 -4,-2.0 4,-2.8 2,-0.2 3,-0.4 0.973 108.9 48.0 -53.3 -64.3 58.8 -41.6 22.3 172 183 A E H X S+ 0 0 79 -4,-2.3 4,-2.8 1,-0.3 5,-0.3 0.891 111.1 53.2 -44.8 -45.6 60.9 -41.6 25.5 173 184 A S H X S+ 0 0 2 -4,-1.9 4,-2.5 -5,-0.2 -169,-0.3 0.942 113.4 43.5 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-0.752 61.2-122.2-114.5 163.0 56.9 -28.6 29.1 184 195 A H E -g 157 0A 84 -28,-4.3 -26,-1.4 -2,-0.3 2,-0.2 -0.936 26.2-145.6-115.9 115.1 54.6 -31.4 30.2 185 196 A P E -g 158 0A 15 0, 0.0 2,-0.4 0, 0.0 -26,-0.2 -0.512 12.1-169.6 -76.9 137.0 53.9 -34.3 27.7 186 197 A V E -g 159 0A 1 -28,-1.7 -26,-2.0 -2,-0.2 2,-0.3 -0.997 25.9-122.9-128.6 127.8 50.7 -36.2 27.2 187 198 A S E +g 160 0A 57 -2,-0.4 322,-0.4 -28,-0.2 2,-0.3 -0.518 37.0 175.2 -73.3 132.0 50.6 -39.4 25.0 188 199 A C E -g 161 0A 2 -28,-2.3 -26,-2.4 -2,-0.3 2,-0.2 -0.961 26.6-122.5-139.4 153.1 48.1 -39.3 22.2 189 200 A K E -g 162 0A 109 318,-0.9 2,-2.2 -2,-0.3 -26,-0.2 -0.547 42.9 -94.3 -89.4 160.3 47.1 -41.5 19.1 190 201 A D S S+ 0 0 31 -28,-1.0 -1,-0.1 -2,-0.2 -61,-0.0 -0.512 80.2 130.2 -75.6 83.1 47.1 -40.3 15.5 191 202 A T > - 0 0 26 -2,-2.2 3,-1.6 316,-0.1 2,-0.1 -0.933 70.0 -80.5-134.1 151.8 43.5 -39.3 15.6 192 203 A P T 3 S+ 0 0 80 0, 0.0 -65,-0.1 0, 0.0 -3,-0.1 -0.375 115.6 7.9 -59.9 128.5 41.9 -36.0 14.5 193 204 A G T 3 >S- 0 0 1 -67,-0.5 5,-1.0 -2,-0.1 4,-0.5 0.176 89.5-140.0 87.7 -16.7 42.3 -33.3 17.2 194 205 A F T < 5 - 0 0 3 -3,-1.6 -5,-0.1 1,-0.2 313,-0.0 -0.476 60.7 -49.4 60.7-115.6 44.6 -35.4 19.3 195 206 A I T >5S+ 0 0 0 -2,-0.4 4,-1.4 -9,-0.1 5,-0.3 0.728 132.9 41.6-115.7 -63.4 43.2 -34.5 22.7 196 207 A V H >>5S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 3,-1.5 0.950 117.6 41.3 -50.9 -70.9 42.9 -30.8 23.3 197 208 A N H 3>5S+ 0 0 23 -4,-0.5 4,-2.5 1,-0.3 -1,-0.2 0.776 110.6 58.0 -48.4 -39.2 41.5 -29.6 19.9 198 209 A R H 34 S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.897 111.2 52.7 -52.5 -37.7 33.6 -29.0 18.9 203 214 A Y H > S+ 0 0 8 -4,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.908 104.6 52.8 -63.7 -45.5 32.8 -27.2 22.1 204 215 A L H X S+ 0 0 2 -4,-1.9 4,-1.1 2,-0.2 3,-0.2 0.919 110.2 48.6 -59.8 -41.0 33.5 -23.8 20.6 205 216 A I H >X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 3,-1.9 0.974 104.2 57.8 -64.1 -52.0 31.2 -24.4 17.7 206 217 A E H 3X S+ 0 0 9 -4,-2.3 4,-2.9 1,-0.3 -1,-0.2 0.826 104.7 53.9 -44.7 -35.5 28.3 -25.6 19.9 207 218 A A H 3X S+ 0 0 0 -4,-1.4 4,-0.8 -3,-0.2 -1,-0.3 0.829 110.5 45.9 -70.9 -30.2 28.5 -22.3 21.6 208 219 A V H S+ 0 0 2 -4,-2.9 5,-0.8 -5,-0.3 6,-0.6 0.815 110.4 49.3 -60.5 -28.3 23.6 -22.0 20.6 211 222 A Y H ><5S+ 0 0 13 -4,-0.8 3,-1.1 -3,-0.4 437,-0.3 0.876 106.7 54.8 -77.7 -37.9 24.0 -18.4 19.6 212 223 A E H 3<5S+ 0 0 51 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.866 102.2 56.5 -63.8 -37.5 22.6 -18.9 16.1 213 224 A R T 3<5S- 0 0 118 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.532 110.0-122.9 -73.3 -4.8 19.3 -20.4 17.5 214 225 A G T < 5S+ 0 0 2 -3,-1.1 -3,-0.1 2,-0.2 -2,-0.1 0.526 73.5 129.7 76.7 6.6 18.8 -17.3 19.5 215 226 A D S - 0 0 24 262,-0.3 4,-2.3 -2,-0.3 5,-0.2 -0.513 29.1-116.3 -92.5 162.0 23.5 -13.9 23.5 218 229 A K H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.988 114.8 50.3 -57.1 -61.6 27.2 -13.9 22.7 219 230 A E H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.876 113.2 45.9 -42.3 -52.8 28.1 -11.7 25.7 220 231 A D H > S+ 0 0 33 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.896 107.6 56.0 -62.7 -42.5 26.0 -13.9 28.1 221 232 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 -3,-0.2 -1,-0.2 0.893 111.9 44.0 -58.1 -40.7 27.4 -17.2 26.9 222 233 A D H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.996 113.2 48.9 -67.6 -61.2 30.9 -16.0 27.6 223 234 A T H X S+ 0 0 27 -4,-2.5 4,-3.1 1,-0.2 5,-0.5 0.893 113.2 51.3 -42.3 -47.5 30.1 -14.5 31.0 224 235 A A H X>S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 5,-0.6 0.932 110.9 44.3 -58.7 -52.2 28.3 -17.8 31.7 225 236 A M H X5S+ 0 0 0 -4,-2.5 6,-1.7 3,-0.2 4,-1.3 0.901 118.0 46.1 -62.7 -39.1 31.2 -20.1 30.8 226 237 A K H X5S+ 0 0 70 -4,-2.9 4,-0.8 4,-0.2 -2,-0.2 0.956 124.3 29.1 -67.9 -52.3 33.7 -17.9 32.6 227 238 A L H <5S+ 0 0 69 -4,-3.1 221,-0.3 -5,-0.3 222,-0.3 0.790 130.0 38.0 -82.9 -26.1 31.8 -17.4 35.9 228 239 A G H <5S+ 0 0 13 -4,-2.7 -3,-0.2 -5,-0.5 -2,-0.2 0.755 129.4 27.4 -97.2 -23.9 29.9 -20.6 35.9 229 240 A A H < - 0 0 0 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.328 40.7-104.1 -68.2 157.2 34.3 -17.4 27.1 235 246 A P H > S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.805 118.6 52.9 -55.5 -32.2 33.9 -19.4 23.8 236 247 A F H > S+ 0 0 0 -18,-0.2 4,-1.1 2,-0.2 51,-0.3 0.923 112.0 42.4 -75.6 -37.5 33.4 -16.3 21.7 237 248 A E H >> S+ 0 0 47 -3,-0.3 4,-2.0 2,-0.2 3,-1.8 0.991 111.8 56.6 -65.8 -58.3 36.5 -14.5 22.9 238 249 A L H 3X S+ 0 0 29 -4,-2.5 4,-2.8 1,-0.3 5,-0.3 0.827 105.1 51.1 -39.6 -47.7 38.5 -17.7 22.6 239 250 A L H 3X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 -1,-0.3 0.852 110.2 49.8 -62.7 -33.0 37.5 -18.0 19.0 240 251 A D H << S+ 0 0 0 -3,-1.8 41,-2.8 -4,-1.1 42,-0.4 0.816 111.8 48.9 -73.9 -30.3 38.7 -14.5 18.4 241 252 A Y H < S+ 0 0 125 -4,-2.0 -2,-0.2 39,-0.2 -3,-0.2 0.935 118.1 37.2 -75.0 -49.0 42.0 -15.2 20.1 242 253 A V H < S- 0 0 55 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.663 120.9-112.3 -77.6 -15.2 42.8 -18.4 18.2 243 254 A G X - 0 0 0 -4,-1.1 4,-2.3 -5,-0.3 37,-0.2 0.544 7.2-118.8 88.8 127.5 41.3 -16.9 15.0 244 255 A L H > S+ 0 0 0 35,-4.0 4,-4.3 1,-0.2 5,-0.2 0.870 112.3 51.2 -64.0 -42.2 38.2 -17.9 13.1 245 256 A D H > S+ 0 0 44 34,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.871 110.6 51.5 -64.4 -35.1 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-22.2 8.5 37.5 23.8 833 267 C E < 0 0 204 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.879 360.0 360.0 -99.6 360.0 9.6 39.9 21.1 834 ! 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 0.0 835 278 C S >> 0 0 35 0, 0.0 3,-1.0 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 118.9 9.0 34.3 34.1 836 279 C P T 34 + 0 0 110 0, 0.0 4,-0.2 0, 0.0 3,-0.1 0.681 360.0 49.7 -47.2 -30.8 11.4 35.5 36.9 837 280 C A T 3> S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.791 106.9 51.3 -84.0 -32.9 12.1 32.1 38.2 838 281 C M T <4 S+ 0 0 12 -3,-1.0 -1,-0.2 1,-0.2 4,-0.1 0.406 103.0 62.0 -85.3 2.1 13.0 30.3 35.0 839 282 C N T < S+ 0 0 68 -4,-0.5 -1,-0.2 -3,-0.1 4,-0.2 0.620 109.6 43.0 -93.9 -20.6 15.5 33.2 34.3 840 283 C K T 4 S+ 0 0 92 -3,-0.5 6,-0.2 -4,-0.2 -2,-0.2 0.883 106.4 51.3 -94.5 -50.5 17.3 32.1 37.4 841 284 C L S <>S+ 0 0 76 -4,-1.9 5,-1.7 1,-0.3 3,-0.4 0.743 118.5 44.0 -64.3 -17.2 17.6 28.3 37.5 842 285 C V T > 5S+ 0 0 20 -5,-0.2 3,-1.3 1,-0.2 -1,-0.3 0.755 106.5 61.9 -88.7 -31.6 18.9 28.7 33.9 843 286 C A T 3 5S+ 0 0 71 1,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 -0.062 108.2 43.8 -83.9 30.1 21.1 31.5 35.3 844 287 C E T 3 5S- 0 0 88 -3,-0.4 -1,-0.3 -2,-0.0 -2,-0.1 0.027 120.0-102.0-161.9 28.0 22.7 29.0 37.6 845 288 C N T < 5S+ 0 0 109 -3,-1.3 2,-1.1 1,-0.2 -3,-0.2 0.509 81.3 131.7 55.5 13.6 23.3 26.0 35.1 846 289 C K < + 0 0 92 -5,-1.7 -1,-0.2 -6,-0.2 2,-0.1 -0.256 17.8 155.6 -89.0 49.0 20.3 24.1 36.5 847 290 C F - 0 0 44 -2,-1.1 2,-0.5 -5,-0.2 -26,-0.4 0.254 59.0-110.8 -59.2 12.9 19.0 23.5 33.0 848 291 C G S > S+ 0 0 6 -7,-0.2 4,-1.8 1,-0.2 3,-0.2 -0.797 82.4 0.7 99.5-129.7 17.2 20.5 34.5 849 292 C K T 4 S+ 0 0 144 -32,-1.9 -1,-0.2 -2,-0.5 -31,-0.1 0.311 121.0 67.2 -84.8 7.3 18.3 16.9 33.6 850 293 C K T 4 S+ 0 0 117 -3,-0.2 -1,-0.2 -33,-0.1 -2,-0.1 0.856 119.9 17.2 -89.4 -42.7 21.2 17.8 31.3 851 294 C T T 4 0 0 79 -3,-0.2 -2,-0.2 -6,-0.1 -5,-0.1 0.752 360.0 360.0 -99.8 -32.6 23.3 19.3 34.1 852 295 C G < 0 0 98 -4,-1.8 -3,-0.2 -7,-0.0 -6,-0.1 0.684 360.0 360.0 127.0 360.0 21.8 18.0 37.3