==== 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 HYDROLASE 20-NOV-08 3FBX . COMPND 2 MOLECULE: PUTATIVE PHOSPHOLIPASE B-LIKE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR K.LAKOMEK,A.DICKMANNS,U.MUELLER,R.FICNER . 520 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 339 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 19.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 31 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.5 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 1 1 1 3 1 1 1 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 4 1 5 2 1 5 1 1 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 . 1 1 0 0 1 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 63 A V 0 0 138 0, 0.0 33,-3.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -41.1 4.9 67.1 50.8 2 64 A S E +A 33 0A 72 31,-0.2 2,-0.3 2,-0.0 31,-0.2 -0.976 360.0 177.0-131.1 139.5 6.7 64.7 53.1 3 65 A R E -A 32 0A 74 29,-2.1 29,-2.4 -2,-0.4 2,-0.4 -0.979 7.7-167.5-148.6 131.3 6.0 61.1 54.2 4 66 A T E +A 31 0A 39 -2,-0.3 17,-2.5 27,-0.2 2,-0.3 -0.972 11.3 172.1-122.6 131.0 7.8 58.5 56.4 5 67 A R E -AB 30 20A 46 25,-2.3 25,-2.5 -2,-0.4 2,-0.3 -0.980 12.4-162.7-137.7 150.2 7.1 54.8 56.7 6 68 A S E -AB 29 19A 0 13,-2.6 13,-2.7 -2,-0.3 2,-0.6 -0.968 14.5-139.8-128.5 142.7 8.7 51.8 58.4 7 69 A L E -AB 28 18A 0 21,-3.0 20,-2.7 -2,-0.3 21,-1.0 -0.928 24.9-166.6-105.4 116.4 8.2 48.1 57.8 8 70 A L E - B 0 17A 16 9,-3.1 9,-2.6 -2,-0.6 2,-0.6 -0.746 17.7-142.5-101.4 145.4 8.2 46.1 61.0 9 71 A L E - B 0 16A 55 -2,-0.3 2,-0.9 7,-0.2 7,-0.2 -0.948 12.9-150.5-101.7 114.4 8.4 42.3 61.6 10 72 A D E >>> - B 0 15A 56 5,-2.5 3,-1.9 -2,-0.6 4,-0.9 -0.777 7.0-160.8 -81.0 104.5 6.2 41.3 64.5 11 73 A A T 345S+ 0 0 99 -2,-0.9 -1,-0.2 1,-0.3 3,-0.1 0.820 88.0 55.0 -60.7 -32.6 8.1 38.2 65.8 12 74 A A T 345S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.464 124.3 23.8 -75.5 -4.2 5.1 36.9 67.6 13 75 A S T <45S- 0 0 70 -3,-1.9 -2,-0.2 2,-0.1 -1,-0.2 0.822 92.7-141.1-104.5 -43.1 3.0 36.9 64.4 14 76 A G T <5 + 0 0 47 -4,-0.9 2,-0.3 1,-0.1 -3,-0.2 0.199 52.6 136.2 -93.1 93.2 5.4 36.8 62.5 15 77 A Q E < -B 10 0A 122 -5,-0.5 -5,-2.5 129,-0.0 2,-0.4 -0.775 52.3-124.3-107.4 144.7 3.7 39.2 60.1 16 78 A L E +B 9 0A 29 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.730 36.4 177.7 -82.7 131.7 5.2 42.2 58.2 17 79 A R E -B 8 0A 98 -9,-2.6 -9,-3.1 -2,-0.4 2,-0.4 -1.000 25.6-128.6-141.5 144.8 3.4 45.5 58.9 18 80 A L E -B 7 0A 64 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.701 24.7-176.2 -87.2 135.7 3.7 49.1 57.8 19 81 A E E -B 6 0A 60 -13,-2.7 -13,-2.6 -2,-0.4 2,-0.1 -0.972 27.0-114.4-126.8 147.5 3.7 51.9 60.4 20 82 A D E S+B 5 0A 103 -2,-0.3 -15,-0.3 -15,-0.2 2,-0.0 -0.463 77.1 22.4 -73.6 152.9 3.9 55.6 59.9 21 83 A G S S- 0 0 28 -17,-2.5 2,-0.5 -2,-0.1 -2,-0.2 -0.192 101.8 -41.7 84.6-176.6 6.9 57.4 61.1 22 84 A F + 0 0 125 7,-0.1 -16,-0.1 -17,-0.1 -2,-0.1 -0.754 48.3 171.3 -94.7 122.5 10.5 56.4 61.9 23 85 A H > - 0 0 47 -2,-0.5 3,-2.6 -4,-0.1 -16,-0.1 -0.817 14.9-168.1-134.8 92.9 11.1 53.2 63.7 24 86 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.644 88.5 64.3 -51.9 -19.3 14.9 52.3 63.8 25 87 A D T 3 S+ 0 0 90 -3,-0.1 24,-0.0 3,-0.0 -3,-0.0 0.597 85.4 100.7 -78.2 -15.4 13.9 48.8 65.0 26 88 A A S < S- 0 0 0 -3,-2.6 -18,-0.3 -18,-0.1 3,-0.1 -0.110 84.8-116.6 -69.4 166.3 12.1 48.1 61.7 27 89 A V S S- 0 0 0 -20,-2.7 22,-3.2 1,-0.3 2,-0.3 0.878 94.4 -10.4 -67.6 -39.6 13.4 46.0 58.8 28 90 A A E -AC 7 48A 0 -21,-1.0 -21,-3.0 20,-0.3 2,-0.3 -0.986 60.3-167.3-155.7 159.5 13.4 49.1 56.6 29 91 A W E -AC 6 47A 49 18,-2.3 18,-2.8 -2,-0.3 2,-0.3 -0.987 5.1-169.2-148.6 153.9 12.2 52.7 56.5 30 92 A A E -AC 5 46A 0 -25,-2.5 -25,-2.3 -2,-0.3 2,-0.4 -0.962 7.4-160.6-145.4 163.8 11.8 55.3 53.8 31 93 A N E -AC 4 45A 57 14,-1.9 14,-2.6 -2,-0.3 2,-0.4 -0.984 7.8-166.7-152.8 116.4 11.1 59.0 53.6 32 94 A L E -AC 3 44A 11 -29,-2.4 -29,-2.1 -2,-0.4 2,-0.5 -0.974 5.5-170.6-115.2 130.1 9.9 60.9 50.5 33 95 A T E -AC 2 43A 53 10,-2.4 10,-2.4 -2,-0.4 2,-0.8 -0.973 13.6-153.1-113.3 112.0 9.9 64.7 50.1 34 96 A N E + C 0 42A 54 -33,-3.0 8,-0.2 -2,-0.5 3,-0.1 -0.776 31.6 154.4 -86.8 110.8 8.0 65.8 46.9 35 97 A A E >> + C 0 41A 15 6,-1.1 4,-2.6 -2,-0.8 5,-0.7 -0.127 29.4 124.4-123.9 30.1 9.4 69.1 45.8 36 98 A I H >5S+ 0 0 4 4,-0.3 4,-1.0 1,-0.2 -1,-0.1 0.856 71.0 54.8 -63.9 -35.5 8.5 68.7 42.2 37 99 A R H 45S+ 0 0 204 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.844 119.3 33.2 -63.6 -36.9 6.5 72.0 42.1 38 100 A E H 45S+ 0 0 101 -3,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.791 139.9 6.6 -92.0 -34.0 9.5 73.9 43.4 39 101 A T H <5S- 0 0 24 -4,-2.6 445,-0.6 2,-0.3 -3,-0.2 0.500 91.0-111.1-133.3 -14.3 12.6 72.1 41.8 40 102 A G S < - 0 0 30 -22,-3.2 3,-1.7 -2,-0.3 165,-0.1 -0.817 11.8-154.5 -97.6 117.1 18.3 47.2 59.1 50 112 A G T 3 S+ 0 0 32 -2,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.433 85.8 78.8 -72.8 -0.4 21.3 44.8 59.1 51 113 A R T 3 S+ 0 0 191 2,-0.1 -1,-0.3 -24,-0.1 2,-0.3 0.637 91.3 65.2 -79.7 -9.6 20.1 42.9 62.1 52 114 A Y S < S- 0 0 27 -3,-1.7 162,-0.0 -25,-0.1 -4,-0.0 -0.726 103.3 -92.5-101.8 157.4 17.8 41.1 59.6 53 115 A N > - 0 0 81 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.268 37.8-112.1 -66.3 157.4 19.0 38.9 56.7 54 116 A D H > S+ 0 0 13 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.765 113.4 60.4 -70.0 -22.6 19.6 40.7 53.4 55 117 A S H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 108.8 42.7 -64.5 -49.6 16.7 38.9 51.6 56 118 A L H > S+ 0 0 13 -3,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.915 113.2 54.4 -64.0 -42.4 14.2 40.3 54.1 57 119 A Q H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.917 108.8 48.3 -51.6 -48.0 15.9 43.7 53.8 58 120 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.935 113.2 45.9 -62.3 -49.5 15.6 43.7 50.0 59 121 A Y H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.943 114.7 48.6 -56.6 -48.7 11.9 42.8 50.1 60 122 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.835 105.2 58.5 -62.3 -36.5 11.3 45.4 52.8 61 123 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.909 108.9 44.8 -62.1 -42.7 13.2 48.1 50.8 62 124 A G H X S+ 0 0 0 -4,-1.8 4,-2.4 -3,-0.2 5,-0.2 0.910 112.5 53.3 -64.4 -43.4 10.7 47.6 47.9 63 125 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.923 112.6 41.2 -57.1 -51.0 7.8 47.6 50.3 64 126 A V H X S+ 0 0 0 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.826 112.4 55.9 -73.7 -29.9 8.7 50.9 52.0 65 127 A E H >X S+ 0 0 0 -4,-1.8 4,-0.9 -5,-0.3 3,-0.9 0.973 111.2 42.7 -61.4 -53.6 9.7 52.6 48.8 66 128 A A H >X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 3,-0.6 0.865 109.0 63.6 -56.6 -36.4 6.2 51.8 47.2 67 129 A S H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.785 109.0 35.2 -60.9 -35.8 4.7 52.9 50.5 68 130 A V H << S+ 0 0 3 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.472 123.3 43.6-100.9 -4.2 5.9 56.5 50.4 69 131 A S H S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.901 113.6 47.8 -60.7 -44.4 0.7 58.5 44.1 72 134 A L H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.883 111.9 49.6 -66.2 -40.7 3.9 59.2 42.1 73 135 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.916 110.1 51.7 -60.3 -45.9 4.0 55.6 40.9 74 136 A Y H X S+ 0 0 107 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.946 113.5 43.2 -56.6 -51.6 0.4 55.8 39.9 75 137 A M H X S+ 0 0 34 -4,-2.3 4,-2.4 2,-0.2 432,-0.2 0.881 113.6 50.7 -64.7 -41.5 0.9 58.9 37.9 76 138 A H H X S+ 0 0 6 -4,-2.5 4,-1.8 2,-0.2 5,-0.4 0.923 109.8 50.6 -62.7 -45.2 4.2 57.7 36.3 77 139 A W H X>S+ 0 0 58 -4,-2.9 5,-1.9 1,-0.2 4,-1.9 0.928 113.2 46.8 -54.7 -48.3 2.5 54.4 35.2 78 140 A M H <5S+ 0 0 48 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.868 114.9 46.2 -62.6 -40.5 -0.4 56.5 33.7 79 141 A N H <5S+ 0 0 4 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.755 129.1 17.3 -71.8 -27.6 2.0 58.8 31.9 80 142 A T H <5S+ 0 0 39 -4,-1.8 -3,-0.2 -3,-0.2 -2,-0.2 0.801 130.1 13.7-121.0 -43.7 4.4 56.2 30.5 81 143 A V T ><5S+ 0 0 19 -4,-1.9 3,-1.6 -5,-0.4 -3,-0.2 0.478 80.0 107.6-128.4 -1.2 3.2 52.5 30.3 82 144 A V T 3 S+ 0 0 142 -5,-0.1 3,-1.4 3,-0.1 2,-0.6 0.538 84.7 120.1 -97.5 -2.4 -1.2 51.4 27.1 84 146 A Y T < S- 0 0 53 -3,-1.6 75,-0.0 1,-0.3 -3,-0.0 -0.484 99.3 -22.1 -72.7 111.7 1.8 49.1 26.6 85 147 A a T 3 S+ 0 0 18 -2,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.835 101.1 169.0 56.8 37.6 0.6 45.6 25.5 86 148 A G X - 0 0 25 -3,-1.4 3,-1.6 1,-0.1 -3,-0.1 0.086 52.6 -81.3 -72.5-176.4 -2.8 46.5 27.1 87 149 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.787 129.9 41.8 -57.4 -30.1 -6.1 44.6 26.9 88 150 A F T 3 S+ 0 0 197 -5,-0.1 -2,-0.1 0, 0.0 2,-0.1 0.138 80.9 147.9-107.4 18.4 -6.9 46.2 23.5 89 151 A E < - 0 0 63 -3,-1.6 3,-0.1 1,-0.1 -5,-0.0 -0.300 36.9-156.5 -65.8 133.0 -3.5 46.0 21.8 90 152 A Y S S+ 0 0 214 1,-0.2 2,-1.5 -2,-0.1 -1,-0.1 0.877 83.3 71.3 -72.1 -41.3 -3.5 45.5 18.1 91 153 A E > + 0 0 32 1,-0.2 4,-2.0 2,-0.1 -1,-0.2 -0.582 61.4 158.5 -84.8 87.7 0.0 44.0 17.8 92 154 A V H > + 0 0 107 -2,-1.5 4,-0.5 1,-0.3 -1,-0.2 0.709 67.9 61.5 -92.0 -33.1 -1.1 40.7 19.4 93 155 A G H > S+ 0 0 46 2,-0.2 4,-1.3 3,-0.2 -1,-0.3 0.584 101.7 40.2 98.7-122.2 1.3 39.4 18.0 94 156 A Y H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.896 112.7 59.6 -59.2 -44.9 4.4 41.1 19.5 95 157 A a H X S+ 0 0 16 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.839 103.4 48.0 -60.1 -40.1 2.7 41.2 22.9 96 158 A E H X S+ 0 0 91 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.886 113.5 49.3 -67.5 -38.8 2.4 37.4 23.2 97 159 A K H X S+ 0 0 100 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.861 111.9 48.6 -63.4 -41.4 6.0 37.0 22.2 98 160 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.926 112.9 47.0 -62.2 -50.8 7.1 39.6 24.8 99 161 A K H X S+ 0 0 65 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.899 113.3 48.2 -62.1 -45.8 5.1 37.9 27.5 100 162 A N H X S+ 0 0 83 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.882 112.6 50.3 -58.6 -41.9 6.5 34.4 26.6 101 163 A F H X S+ 0 0 15 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.950 113.3 43.9 -61.7 -50.4 10.0 35.9 26.5 102 164 A L H X S+ 0 0 0 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.903 113.5 50.2 -67.2 -43.2 9.7 37.5 29.9 103 165 A E H X S+ 0 0 79 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.898 112.9 46.8 -59.0 -43.9 8.1 34.5 31.6 104 166 A A H X S+ 0 0 30 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.886 114.7 47.8 -64.6 -40.6 10.8 32.2 30.3 105 167 A N H X S+ 0 0 4 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.941 113.7 46.1 -66.4 -47.1 13.5 34.6 31.4 106 168 A L H X S+ 0 0 15 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.880 114.6 48.1 -61.0 -40.2 12.0 35.1 34.9 107 169 A E H X S+ 0 0 87 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.882 108.5 54.7 -69.5 -38.5 11.5 31.3 35.2 108 170 A W H X S+ 0 0 32 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.920 109.3 47.3 -59.7 -46.0 15.1 30.7 34.0 109 171 A M H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.898 109.7 52.9 -61.9 -41.1 16.4 33.1 36.8 110 172 A Q H X S+ 0 0 11 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.902 110.8 48.3 -60.5 -42.0 14.3 31.3 39.4 111 173 A R H X S+ 0 0 124 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.912 109.3 51.3 -65.3 -46.2 15.7 27.9 38.3 112 174 A E H X S+ 0 0 46 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.877 109.7 51.3 -57.5 -40.2 19.3 29.2 38.5 113 175 A M H < S+ 0 0 14 -4,-2.1 3,-0.5 2,-0.2 -2,-0.2 0.923 112.3 44.7 -62.9 -45.1 18.7 30.5 42.0 114 176 A E H < S+ 0 0 91 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.810 115.0 48.9 -71.7 -26.4 17.4 27.2 43.2 115 177 A L H < S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.610 119.1 39.6 -81.4 -13.2 20.2 25.3 41.5 116 178 A N >< + 0 0 63 -4,-0.9 3,-1.8 -3,-0.5 -1,-0.2 -0.398 59.5 155.2-136.0 59.5 22.8 27.6 42.9 117 179 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.680 79.6 50.8 -65.5 -14.8 22.0 28.4 46.6 118 180 A D T 3 S+ 0 0 107 -3,-0.1 102,-0.1 100,-0.1 -5,-0.0 0.377 82.7 114.3-101.1 2.3 25.7 29.1 47.3 119 181 A S <> - 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0 0 10 -2,-0.4 -181,-0.1 2,-0.4 33,-0.1 -0.235 69.1 -73.5-162.7 49.7 26.9 60.8 22.9 361 432 A N S S+ 0 0 39 -183,-0.2 -182,-0.1 1,-0.1 -2,-0.0 0.589 100.5 102.1 70.8 12.5 25.1 57.6 21.8 362 433 A I S S- 0 0 16 25,-0.1 -2,-0.4 -51,-0.0 -1,-0.1 -0.998 75.2-113.3-129.0 129.7 27.8 56.3 19.4 363 434 A P - 0 0 1 0, 0.0 24,-0.1 0, 0.0 -27,-0.1 -0.374 13.9-155.6 -63.2 139.7 30.3 53.5 20.3 364 435 A Y S S+ 0 0 58 -2,-0.1 2,-0.4 5,-0.0 23,-0.1 0.845 73.1 85.7 -76.5 -43.0 33.9 54.4 20.7 365 436 A F S >> S- 0 0 22 1,-0.1 4,-3.0 -22,-0.1 3,-0.6 -0.543 71.1-148.3 -69.8 120.1 35.2 50.9 19.9 366 437 A E H 3> S+ 0 0 160 -2,-0.4 4,-2.9 1,-0.3 5,-0.2 0.779 97.0 56.7 -56.5 -36.0 35.6 50.4 16.2 367 438 A T H 3> S+ 0 0 88 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.847 113.5 41.2 -65.4 -35.7 34.8 46.6 16.4 368 439 A V H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.879 113.6 52.5 -76.9 -44.5 31.5 47.6 18.1 369 440 A F H <>S+ 0 0 17 -4,-3.0 5,-1.6 1,-0.2 6,-0.4 0.950 117.0 40.4 -52.3 -52.9 30.8 50.5 15.7 370 441 A N H ><5S+ 0 0 91 -4,-2.9 3,-1.2 1,-0.2 -2,-0.2 0.900 113.9 51.3 -64.9 -44.2 31.3 48.1 12.8 371 442 A A H 3<5S+ 0 0 24 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.798 106.1 56.0 -66.5 -26.4 29.5 45.1 14.3 372 443 A S T 3<5S- 0 0 3 -4,-1.9 -109,-2.1 -3,-0.1 -1,-0.2 0.342 116.1-108.0 -95.6 8.7 26.3 47.2 15.1 373 444 A G T <>5S+ 0 0 24 -3,-1.2 4,-0.7 -110,-0.1 3,-0.3 0.666 75.5 131.8 85.5 22.7 25.8 48.4 11.6 374 445 A L H >< + 0 0 8 -5,-1.6 4,-2.6 1,-0.2 5,-0.2 0.738 61.8 69.1 -81.8 -23.2 26.8 52.1 11.8 375 446 A Q H > S+ 0 0 99 -6,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.873 99.2 50.4 -57.5 -40.0 29.1 52.1 8.7 376 447 A A H > S+ 0 0 70 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.820 110.9 49.3 -70.6 -32.6 26.1 51.7 6.4 377 448 A L H X>S+ 0 0 31 -4,-0.7 4,-2.7 2,-0.2 5,-0.5 0.874 110.0 49.9 -73.9 -40.1 24.4 54.6 8.2 378 449 A V H X5S+ 0 0 34 -4,-2.6 4,-2.3 7,-0.2 -2,-0.2 0.933 113.2 48.8 -56.7 -44.6 27.5 56.8 7.8 379 450 A A H <5S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.893 118.0 38.8 -66.0 -39.7 27.5 55.8 4.1 380 451 A Q H <5S+ 0 0 130 -4,-1.9 -2,-0.2 -5,-0.1 -1,-0.2 0.887 136.0 14.5 -75.4 -41.1 23.8 56.6 3.6 381 452 A Y H <5S- 0 0 86 -4,-2.7 3,-0.4 1,-0.3 -3,-0.2 0.495 94.5-141.9-119.7 -11.2 23.5 59.8 5.8 382 453 A G ><< + 0 0 24 -4,-2.3 3,-1.8 -5,-0.5 -1,-0.3 -0.518 61.1 1.3 89.1-148.9 27.1 61.0 6.5 383 454 A D G > S+ 0 0 79 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.559 107.5 79.8 -65.2 -18.8 28.7 62.5 9.6 384 455 A W G 3 S+ 0 0 57 -3,-0.4 -1,-0.3 1,-0.2 8,-0.1 0.786 103.6 38.2 -58.3 -26.4 25.6 62.4 11.9 385 456 A F G < S+ 0 0 22 -3,-1.8 -1,-0.2 -8,-0.1 -7,-0.2 0.421 96.0 105.7-105.0 -2.8 26.4 58.7 12.5 386 457 A S <> - 0 0 13 -3,-0.8 4,-0.8 -4,-0.3 -11,-0.0 -0.525 69.5-135.5 -78.7 144.9 30.2 59.1 12.6 387 458 A Y T 4 S+ 0 0 47 -2,-0.2 -1,-0.1 1,-0.2 -25,-0.1 0.902 99.6 27.4 -67.1 -44.5 32.0 59.0 16.0 388 459 A T T 4 S+ 0 0 76 1,-0.1 -1,-0.2 5,-0.1 9,-0.1 0.706 124.4 45.6 -93.6 -21.3 34.3 61.9 15.6 389 460 A K T 4 S+ 0 0 112 -6,-0.2 -2,-0.1 4,-0.1 -1,-0.1 0.323 77.1 113.1-114.4 6.1 32.3 64.2 13.2 390 461 A N S X S- 0 0 6 -4,-0.8 4,-2.4 -6,-0.1 5,-0.2 -0.382 80.5-102.5 -73.0 160.8 28.7 64.2 14.5 391 462 A P H > S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.871 119.5 45.7 -52.9 -48.8 27.4 67.5 15.8 392 463 A R H > S+ 0 0 22 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.906 112.4 50.9 -62.3 -45.1 27.7 66.7 19.6 393 464 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 112.9 48.4 -54.2 -43.6 31.2 65.3 19.1 394 465 A K H X S+ 0 0 76 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.887 110.7 48.4 -68.8 -40.9 32.0 68.6 17.3 395 466 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.915 113.2 48.2 -63.2 -45.6 30.5 70.8 20.0 396 467 A F H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.924 110.1 53.8 -58.1 -44.4 32.4 68.9 22.7 397 468 A Q H < S+ 0 0 91 -4,-2.3 4,-0.2 -5,-0.2 -2,-0.2 0.905 117.3 35.6 -59.2 -43.2 35.6 69.2 20.7 398 469 A R H < S+ 0 0 102 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.829 130.4 28.1 -82.3 -24.3 35.2 73.0 20.4 399 470 A D H >< S+ 0 0 29 -4,-2.5 3,-1.6 -5,-0.1 4,-0.3 0.575 87.8 90.9-115.0 -15.1 33.7 73.8 23.9 400 471 A Q G >< S+ 0 0 18 -4,-2.5 3,-2.1 1,-0.3 -3,-0.1 0.850 83.5 61.4 -57.5 -37.0 34.9 71.2 26.5 401 472 A S G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -5,-0.3 -2,-0.1 0.725 90.8 68.9 -66.2 -20.3 37.9 73.2 27.5 402 473 A L G < S+ 0 0 115 -3,-1.6 2,-1.0 6,-0.1 -1,-0.3 0.565 74.6 97.9 -72.1 -11.9 35.7 76.1 28.6 403 474 A V < + 0 0 2 -3,-2.1 3,-0.1 -4,-0.3 -1,-0.0 -0.717 37.9 148.4 -79.8 104.4 34.5 73.9 31.5 404 475 A E + 0 0 135 -2,-1.0 2,-0.3 1,-0.1 -1,-0.2 0.368 65.1 7.0-117.0 -3.9 36.7 75.2 34.3 405 476 A D S > S- 0 0 68 -3,-0.1 4,-1.5 1,-0.1 -1,-0.1 -0.941 89.2 -79.1-167.3-179.3 34.2 74.6 37.1 406 477 A M H > S+ 0 0 34 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.889 122.3 49.0 -65.8 -45.1 30.9 73.1 38.1 407 478 A D H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.855 109.6 53.0 -64.4 -37.9 28.6 75.9 36.8 408 479 A A H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.841 107.4 53.1 -64.9 -33.7 30.5 75.9 33.5 409 480 A M H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.923 108.2 49.2 -64.3 -46.4 29.8 72.1 33.3 410 481 A V H X S+ 0 0 13 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.925 110.1 52.6 -57.0 -45.1 26.1 72.7 33.9 411 482 A R H < S+ 0 0 186 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.887 113.1 42.3 -60.4 -45.6 26.1 75.4 31.1 412 483 A L H >< S+ 0 0 16 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.917 113.2 52.7 -68.9 -41.6 27.7 73.0 28.6 413 484 A M H 3< S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.772 114.0 43.7 -67.3 -22.1 25.5 70.1 29.6 414 485 A R T 3< S+ 0 0 4 -4,-1.8 75,-0.3 -5,-0.2 -1,-0.3 0.296 88.3 140.3 -97.7 4.9 22.4 72.3 29.1 415 486 A Y < + 0 0 31 -3,-1.6 25,-2.4 -5,-0.1 24,-0.8 -0.317 8.6 140.2 -64.6 123.5 23.8 73.7 25.8 416 487 A N + 0 0 1 -2,-0.2 74,-0.3 23,-0.2 22,-0.1 -0.754 4.3 146.0-157.6 109.5 21.3 74.2 23.0 417 488 A D >> + 0 0 27 -2,-0.2 4,-2.4 1,-0.1 3,-1.4 -0.394 19.4 155.1-135.7 56.2 21.5 77.3 20.7 418 489 A F T 34 + 0 0 19 1,-0.3 16,-0.2 2,-0.2 6,-0.1 0.736 64.1 60.5 -67.0 -26.7 20.4 75.5 17.5 419 490 A L T 34 S+ 0 0 113 1,-0.2 -1,-0.3 14,-0.1 -2,-0.0 0.789 122.2 22.2 -69.5 -26.1 19.0 78.6 15.8 420 491 A H T <4 S+ 0 0 145 -3,-1.4 -2,-0.2 5,-0.0 -1,-0.2 0.585 98.3 96.7-117.8 -17.1 22.4 80.3 15.8 421 492 A D >< - 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0 0 0 -10,-2.2 3,-1.8 -16,-0.2 9,-0.1 -0.987 24.1-147.0-132.8 127.2 17.8 71.3 14.0 435 506 A A T 3 S+ 0 0 0 -2,-0.4 7,-2.2 1,-0.3 8,-0.1 0.502 97.0 67.0 -68.5 -8.7 17.1 71.3 17.8 436 507 A E T 3 S+ 0 0 13 5,-0.2 2,-1.8 1,-0.2 -1,-0.3 0.701 82.1 80.4 -77.1 -24.8 18.3 67.6 18.0 437 508 A N S < S+ 0 0 5 -3,-1.8 2,-0.3 -13,-0.3 -1,-0.2 -0.499 79.5 87.0 -89.9 70.8 21.9 68.8 17.2 438 509 A A S S- 0 0 0 -2,-1.8 3,-0.3 1,-0.1 -22,-0.2 -0.962 88.2-106.6-159.2 160.9 22.8 70.0 20.6 439 510 A I S S+ 0 0 0 -24,-0.8 2,-0.6 1,-0.3 -23,-0.2 0.953 121.3 32.4 -63.2 -45.8 24.3 68.8 24.0 440 511 A S S S- 0 0 0 -25,-2.4 -1,-0.3 -28,-0.1 47,-0.1 -0.874 96.1-142.2-111.3 97.1 20.7 69.1 25.4 441 512 A A - 0 0 0 -2,-0.6 23,-1.9 -3,-0.3 46,-0.3 -0.208 18.8-171.4 -63.3 147.1 18.2 68.3 22.7 442 513 A R B > +Q 463 0C 3 -7,-2.2 3,-2.1 21,-0.2 4,-0.2 -0.603 15.0 165.1-132.2 73.4 14.8 70.1 22.2 443 514 A S G > + 0 0 0 19,-1.6 3,-1.6 1,-0.3 17,-0.4 0.786 68.8 73.8 -64.2 -26.2 13.0 68.1 19.6 444 515 A D G 3 S+ 0 0 10 18,-0.5 -1,-0.3 1,-0.3 4,-0.1 0.687 91.6 59.3 -53.6 -20.9 9.7 69.9 20.5 445 516 A L G < S+ 0 0 53 -3,-2.1 -1,-0.3 15,-0.1 -2,-0.2 0.499 78.3 100.0 -97.9 -9.1 11.1 73.0 18.8 446 517 A N S < S- 0 0 2 -3,-1.6 2,-0.1 -4,-0.2 -12,-0.1 -0.556 86.8-101.7 -68.9 139.6 11.6 71.5 15.3 447 518 A P > - 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