==== 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-JUL-06 2HRW . COMPND 2 MOLECULE: PHOSPHONOPYRUVATE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VARIOVORAX SP.; . AUTHOR C.C.H.CHEN,O.HERZBERG . 281 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 16 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 112 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.2 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 0 2 0 1 1 2 1 1 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 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 . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 165 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.7 48.6 37.9 17.7 2 2 A T > - 0 0 72 1,-0.1 4,-2.7 4,-0.0 3,-0.3 -0.311 360.0-102.6 -72.2 165.6 46.4 37.4 20.7 3 3 A K H > S+ 0 0 50 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.901 124.4 54.0 -58.2 -39.2 48.1 35.9 23.8 4 4 A N H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.821 110.7 45.8 -63.0 -34.1 46.5 32.5 23.0 5 5 A Q H > S+ 0 0 73 -3,-0.3 4,-3.5 2,-0.2 -1,-0.2 0.890 108.4 55.7 -76.4 -40.0 47.8 32.6 19.5 6 6 A A H X S+ 0 0 33 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.937 113.9 41.7 -55.5 -46.6 51.3 33.6 20.6 7 7 A L H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 3,-0.4 0.953 116.5 46.0 -65.1 -53.6 51.3 30.6 22.9 8 8 A R H X S+ 0 0 35 -4,-2.3 4,-2.4 1,-0.3 5,-0.2 0.883 109.9 56.5 -58.4 -39.9 49.8 28.2 20.4 9 9 A A H X S+ 0 0 27 -4,-3.5 4,-2.1 1,-0.2 -1,-0.3 0.841 105.3 51.0 -61.4 -37.0 52.1 29.6 17.7 10 10 A A H X>S+ 0 0 2 -4,-1.5 4,-1.1 -3,-0.4 5,-0.6 0.876 111.4 48.8 -67.6 -38.8 55.2 28.7 19.9 11 11 A L H <5S+ 0 0 20 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.895 116.1 41.0 -68.2 -41.8 53.8 25.1 20.4 12 12 A D H <5S+ 0 0 121 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.863 111.2 58.0 -75.8 -34.3 53.2 24.5 16.7 13 13 A S H <5S- 0 0 68 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.723 103.6-125.7 -69.2 -25.6 56.4 26.2 15.6 14 14 A G T <5 + 0 0 64 -4,-1.1 -3,-0.1 1,-0.2 -4,-0.1 0.391 61.4 134.0 96.5 -5.8 58.7 24.0 17.6 15 15 A R < - 0 0 156 -5,-0.6 2,-0.6 1,-0.1 -1,-0.2 -0.139 64.6-104.4 -66.6 173.2 60.7 26.6 19.6 16 16 A L - 0 0 44 207,-0.0 2,-0.5 2,-0.0 207,-0.2 -0.935 34.0-148.0-104.0 127.4 61.2 26.0 23.3 17 17 A F E -a 223 0A 14 205,-2.1 207,-2.9 -2,-0.6 2,-0.5 -0.849 7.5-151.1 -98.3 127.5 58.9 28.2 25.3 18 18 A T E -a 224 0A 20 -2,-0.5 20,-2.4 205,-0.2 19,-1.7 -0.875 11.3-171.2-105.5 132.0 60.2 29.4 28.6 19 19 A A E -ab 225 38A 0 205,-2.4 207,-3.0 -2,-0.5 2,-0.3 -0.984 5.9-156.8-124.6 128.9 57.8 30.2 31.5 20 20 A M E -ab 226 39A 26 18,-2.2 20,-3.0 -2,-0.4 207,-0.1 -0.815 21.8-113.8-107.0 141.8 58.8 31.8 34.8 21 21 A A E - b 0 40A 0 205,-1.3 2,-0.3 -2,-0.3 20,-0.2 -0.292 33.7-177.8 -67.4 157.4 56.9 31.6 38.1 22 22 A A - 0 0 2 18,-1.4 20,-0.2 205,-0.1 24,-0.2 -0.918 24.5-172.4-161.3 129.1 55.3 34.7 39.6 23 23 A H S S+ 0 0 18 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.429 80.0 16.6-103.2 -2.5 53.3 35.3 42.8 24 24 A N S > S- 0 0 50 1,-0.1 4,-1.9 45,-0.0 -1,-0.2 -0.961 84.2-100.3-159.8 160.7 52.2 38.9 42.0 25 25 A P H > S+ 0 0 30 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.843 117.0 54.4 -53.6 -45.9 52.0 41.2 38.9 26 26 A L H > S+ 0 0 74 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.946 111.3 46.2 -55.1 -50.2 55.2 43.2 39.6 27 27 A V H > S+ 0 0 33 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 112.6 50.5 -59.9 -41.3 57.2 39.9 39.7 28 28 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.891 109.2 52.2 -63.6 -39.4 55.4 38.8 36.5 29 29 A K H X S+ 0 0 43 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.934 107.7 51.2 -62.5 -48.3 56.3 42.1 34.9 30 30 A L H X S+ 0 0 80 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.862 107.7 52.8 -58.2 -36.2 59.9 41.6 35.8 31 31 A A H X>S+ 0 0 6 -4,-1.7 5,-1.8 2,-0.2 4,-0.6 0.912 108.4 50.8 -65.8 -39.3 59.9 38.1 34.2 32 32 A E H ><5S+ 0 0 44 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.922 110.8 48.6 -62.4 -44.7 58.5 39.6 31.1 33 33 A Q H 3<5S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.806 105.6 57.8 -67.2 -29.4 61.2 42.2 31.0 34 34 A A H 3<5S- 0 0 76 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.639 121.9-108.0 -77.0 -11.0 63.8 39.5 31.6 35 35 A G T <<5 + 0 0 56 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.749 59.9 155.3 98.5 23.8 62.6 37.8 28.4 36 36 A F < - 0 0 50 -5,-1.8 -1,-0.2 1,-0.1 -17,-0.2 -0.465 47.6-126.8 -79.3 162.5 60.7 34.7 29.3 37 37 A G S S- 0 0 25 -19,-1.7 2,-0.3 1,-0.2 -18,-0.2 0.868 82.0 -12.4 -73.3 -38.5 58.1 33.5 26.8 38 38 A G E -b 19 0A 0 -20,-2.4 -18,-2.2 38,-0.1 2,-0.3 -0.939 68.1-100.2-154.1 175.3 55.4 33.4 29.4 39 39 A I E -bc 20 78A 0 38,-2.3 40,-2.9 -2,-0.3 2,-0.6 -0.759 21.8-140.8-103.1 150.4 54.4 33.5 33.1 40 40 A W E -bc 21 79A 8 -20,-3.0 2,-2.4 -2,-0.3 -18,-1.4 -0.948 6.9-152.7-111.9 106.9 53.5 30.5 35.4 41 41 A G E - c 0 80A 0 38,-3.2 40,-1.6 -2,-0.6 -20,-0.1 -0.372 28.8-163.2 -79.4 65.1 50.6 31.3 37.7 42 42 A S > - 0 0 4 -2,-2.4 4,-1.8 -20,-0.2 5,-0.2 -0.178 27.4-157.2 -57.5 129.3 51.9 28.8 40.3 43 43 A G H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.889 98.1 53.6 -70.8 -37.7 49.7 27.6 43.1 44 44 A F H > S+ 0 0 88 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.962 109.6 46.4 -60.0 -52.3 52.8 26.8 45.1 45 45 A E H > S+ 0 0 0 182,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.886 114.4 46.3 -58.4 -43.6 54.2 30.3 44.8 46 46 A L H X S+ 0 0 4 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.923 113.9 46.5 -69.1 -43.6 51.0 32.1 45.7 47 47 A S H <>S+ 0 0 4 -4,-2.3 5,-2.8 1,-0.2 -1,-0.2 0.806 112.9 53.0 -68.0 -25.5 50.2 29.9 48.7 48 48 A A H ><5S+ 0 0 35 -4,-1.8 3,-2.5 -5,-0.3 -2,-0.2 0.924 103.2 54.6 -73.7 -42.9 53.8 30.3 49.7 49 49 A S H 3<5S+ 0 0 55 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.628 110.1 50.3 -65.0 -10.9 53.5 34.2 49.5 50 50 A Y T 3<5S- 0 0 128 -4,-0.6 -1,-0.3 2,-0.2 -2,-0.2 0.254 114.3-119.2-108.5 6.5 50.6 33.7 51.9 51 51 A A T < 5S+ 0 0 95 -3,-2.5 -3,-0.2 1,-0.2 -2,-0.1 0.908 72.8 125.3 54.7 42.6 52.5 31.6 54.3 52 52 A V < - 0 0 44 -5,-2.8 -2,-0.2 -6,-0.1 -1,-0.2 -0.991 67.8 -99.8-132.6 144.5 50.1 28.7 53.8 53 53 A P > - 0 0 93 0, 0.0 2,-1.8 0, 0.0 4,-0.6 -0.235 35.6-115.5 -57.4 147.3 50.9 25.0 52.8 54 54 A D T 4 S+ 0 0 71 1,-0.2 -10,-0.1 2,-0.1 -11,-0.1 -0.423 81.1 113.8 -84.9 62.5 50.2 24.2 49.2 55 55 A A T 4 S- 0 0 64 -2,-1.8 -1,-0.2 -11,-0.1 61,-0.1 -0.245 103.5 -77.1-128.1 47.3 47.4 21.8 49.9 56 56 A N T 4 S+ 0 0 52 3,-0.1 -2,-0.1 59,-0.0 4,-0.1 0.832 94.9 129.4 62.8 33.9 44.4 23.6 48.4 57 57 A I < + 0 0 103 -4,-0.6 -3,-0.1 2,-0.1 3,-0.1 0.933 47.9 80.8 -81.0 -51.4 44.3 25.9 51.4 58 58 A L S S- 0 0 39 -5,-0.3 -11,-0.1 1,-0.1 5,-0.0 -0.278 95.8-102.7 -55.9 137.0 44.2 29.2 49.4 59 59 A S > - 0 0 66 1,-0.1 4,-1.3 2,-0.1 3,-0.3 -0.259 22.2-125.3 -59.8 148.4 40.7 30.0 48.1 60 60 A M H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.876 113.2 54.1 -65.6 -34.9 40.2 29.3 44.4 61 61 A S H > S+ 0 0 58 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.787 99.7 62.3 -72.1 -22.2 39.1 32.9 43.9 62 62 A T H > S+ 0 0 42 -3,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.952 109.2 40.3 -64.8 -44.2 42.3 34.1 45.5 63 63 A H H X S+ 0 0 10 -4,-1.3 4,-2.6 1,-0.2 -2,-0.2 0.932 113.3 55.5 -68.3 -45.5 44.3 32.4 42.7 64 64 A L H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.887 108.5 46.2 -54.1 -46.9 41.8 33.5 40.0 65 65 A E H X S+ 0 0 94 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.817 110.3 53.5 -70.1 -29.2 42.1 37.2 40.9 66 66 A M H X S+ 0 0 38 -4,-1.2 4,-2.7 -5,-0.2 -2,-0.2 0.933 109.0 49.7 -70.7 -40.9 45.8 37.1 41.0 67 67 A M H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.900 111.2 48.9 -63.2 -37.5 45.8 35.6 37.5 68 68 A R H X S+ 0 0 90 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.922 111.3 51.0 -65.1 -43.1 43.4 38.4 36.4 69 69 A A H < S+ 0 0 34 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.884 114.2 42.7 -61.0 -44.9 45.8 40.9 38.0 70 70 A I H >X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-2.2 0.939 110.0 54.2 -70.3 -48.7 48.9 39.4 36.2 71 71 A A H 3< S+ 0 0 10 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 109.1 50.9 -57.8 -28.0 47.3 39.0 32.8 72 72 A S T 3< S+ 0 0 95 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.498 113.0 47.6 -87.5 -3.4 46.3 42.6 32.8 73 73 A T T <4 S+ 0 0 60 -3,-2.2 -2,-0.2 -5,-0.1 2,-0.2 0.843 108.1 51.0-102.1 -45.6 49.8 43.6 33.7 74 74 A V < - 0 0 7 -4,-2.4 -45,-0.1 2,-0.1 4,-0.1 -0.504 59.9-149.5 -93.9 162.1 51.9 41.6 31.2 75 75 A S S S+ 0 0 91 -2,-0.2 -1,-0.1 -46,-0.1 -4,-0.1 0.464 75.2 84.9-104.8 -5.8 51.7 41.3 27.4 76 76 A I S S- 0 0 25 1,-0.1 -38,-0.1 -70,-0.0 -37,-0.1 -0.659 93.2 -80.4 -95.3 156.2 53.1 37.7 27.3 77 77 A P - 0 0 7 0, 0.0 -38,-2.3 0, 0.0 2,-0.4 -0.112 39.5-145.0 -55.0 145.3 51.0 34.5 27.7 78 78 A L E -c 39 0A 0 25,-0.3 27,-2.3 -40,-0.2 28,-1.2 -0.954 4.0-156.9-116.9 128.9 50.0 33.3 31.2 79 79 A I E -cd 40 106A 0 -40,-2.9 -38,-3.2 -2,-0.4 2,-0.4 -0.904 17.6-148.1-105.8 117.7 49.8 29.6 32.2 80 80 A A E -cd 41 107A 0 26,-2.4 28,-2.8 -2,-0.6 2,-0.8 -0.727 6.9-141.2 -92.9 134.7 47.5 29.1 35.2 81 81 A D E + d 0 108A 7 -40,-1.6 28,-0.1 -2,-0.4 3,-0.1 -0.814 27.2 168.1 -88.0 110.3 48.0 26.4 37.7 82 82 A I > - 0 0 0 26,-2.4 3,-2.1 -2,-0.8 4,-0.3 0.162 30.0-149.3-110.1 18.1 44.5 25.2 38.6 83 83 A D T 3 - 0 0 21 25,-0.3 27,-3.3 1,-0.3 -1,-0.3 -0.300 69.2 -14.9 54.3-113.9 45.7 22.1 40.5 84 84 A T T > S- 0 0 4 25,-0.3 3,-0.6 -2,-0.2 -1,-0.3 0.130 102.4 -91.1-108.5 18.7 43.1 19.3 40.1 85 85 A G T < - 0 0 0 -3,-2.1 10,-0.2 23,-0.2 -2,-0.1 0.476 56.4 -91.8 91.4 -1.4 40.2 21.4 38.9 86 86 A F T 3 S- 0 0 42 -4,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.690 99.7 -16.9 66.3 21.7 38.7 22.2 42.3 87 87 A G S < S- 0 0 22 -3,-0.6 -1,-0.2 3,-0.0 2,-0.1 -0.978 103.9 -35.9 154.5-139.3 36.4 19.2 42.1 88 88 A N S > S- 0 0 76 -2,-0.3 4,-2.7 -3,-0.1 5,-0.2 -0.307 79.7 -66.0-106.7-168.7 35.2 16.9 39.3 89 89 A A H > S+ 0 0 36 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.839 133.5 55.9 -51.4 -37.5 34.3 17.5 35.6 90 90 A V H > S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.979 110.6 43.6 -59.8 -52.7 31.4 19.6 36.7 91 91 A N H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.893 113.2 52.6 -58.2 -43.4 33.7 21.9 38.7 92 92 A V H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.912 106.3 54.2 -57.2 -45.8 36.2 21.9 35.9 93 93 A H H < S+ 0 0 86 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 114.5 38.9 -59.2 -40.0 33.5 23.0 33.4 94 94 A Y H < S+ 0 0 166 -4,-1.7 4,-0.4 -5,-0.1 -1,-0.2 0.779 119.2 49.1 -80.2 -29.8 32.5 26.0 35.5 95 95 A V H >X S+ 0 0 8 -4,-2.1 3,-2.1 -5,-0.2 4,-1.5 0.962 99.1 59.6 -75.0 -56.9 36.0 26.9 36.5 96 96 A V H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 3,-0.4 0.858 101.9 55.1 -43.1 -50.7 38.0 26.8 33.2 97 97 A P H 3> S+ 0 0 46 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.769 105.6 53.9 -59.2 -25.5 35.8 29.6 31.6 98 98 A Q H <> S+ 0 0 81 -3,-2.1 4,-1.3 -4,-0.4 -2,-0.2 0.901 109.7 45.9 -76.1 -37.7 36.6 31.8 34.5 99 99 A Y H X>S+ 0 0 0 -4,-1.5 5,-1.8 -3,-0.4 4,-1.2 0.917 111.5 52.2 -66.7 -42.2 40.3 31.4 34.1 100 100 A E H <5S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.865 111.5 48.1 -61.7 -33.4 40.0 32.0 30.3 101 101 A A H <5S+ 0 0 75 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.739 101.8 61.2 -79.3 -24.5 38.1 35.1 31.1 102 102 A A H <5S- 0 0 8 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.747 126.2-100.6 -70.9 -25.7 40.7 36.3 33.7 103 103 A G T <5 + 0 0 27 -4,-1.2 -25,-0.3 1,-0.3 -3,-0.2 0.496 69.8 149.0 120.5 6.2 43.1 36.3 30.7 104 104 A A < - 0 0 1 -5,-1.8 -1,-0.3 1,-0.1 -25,-0.2 -0.400 36.1-154.6 -70.6 146.9 45.1 33.1 31.0 105 105 A S S S+ 0 0 0 -27,-2.3 38,-2.9 1,-0.2 2,-0.3 0.536 77.6 8.0 -98.3 -8.0 46.2 31.5 27.7 106 106 A A E -de 79 143A 0 -28,-1.2 -26,-2.4 36,-0.2 2,-0.3 -0.964 63.2-147.2-161.3 162.7 46.5 28.0 29.2 107 107 A I E -de 80 144A 1 36,-1.5 38,-2.5 -2,-0.3 2,-0.4 -0.976 9.9-145.3-137.2 149.4 45.6 26.1 32.4 108 108 A V E +de 81 145A 0 -28,-2.8 -26,-2.4 -2,-0.3 2,-0.4 -0.974 20.1 177.2-117.9 127.0 47.4 23.2 34.0 109 109 A M E - e 0 146A 0 36,-2.1 38,-2.3 -2,-0.4 2,-0.3 -0.982 14.7-145.4-131.8 142.0 45.5 20.5 35.8 110 110 A E E - e 0 147A 13 -27,-3.3 38,-0.2 -2,-0.4 36,-0.0 -0.790 18.1-128.8-111.5 153.3 46.7 17.3 37.4 111 111 A D + 0 0 0 36,-1.8 10,-2.7 -2,-0.3 2,-0.2 0.111 68.3 121.0 -84.5 22.6 45.3 13.8 37.8 112 112 A K B -I 120 0B 77 8,-0.3 8,-0.3 35,-0.1 2,-0.1 -0.519 66.8-108.9 -81.8 154.6 45.8 13.7 41.5 113 113 A T - 0 0 41 6,-1.9 -1,-0.1 5,-0.2 3,-0.0 -0.384 33.9-102.4 -81.6 161.5 42.8 13.2 43.7 114 114 A F S S+ 0 0 110 1,-0.2 2,-0.1 -2,-0.1 -58,-0.0 -0.987 94.9 18.6-134.4 122.6 41.2 15.8 46.0 115 115 A P 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.642 360.0 360.0 -96.4-179.2 41.8 15.7 48.8 116 116 A K 0 0 248 -2,-0.1 -2,-0.1 -61,-0.1 3,-0.1 -0.169 360.0 360.0 -44.8 360.0 44.8 13.6 49.9 117 ! 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 0.0 118 126 A Q 0 0 122 0, 0.0 -5,-0.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 121.9 44.2 6.1 45.0 119 127 A E + 0 0 69 -7,-0.1 -6,-1.9 -3,-0.1 2,-0.2 0.858 360.0 37.3 -69.4 -32.9 46.9 8.8 45.0 120 128 A L B S-I 112 0B 8 -8,-0.3 -8,-0.3 1,-0.1 2,-0.1 -0.682 92.0-109.7-112.2 166.9 45.5 9.6 41.5 121 129 A V - 0 0 12 -10,-2.7 2,-0.1 -2,-0.2 -1,-0.1 -0.418 53.0 -78.3 -87.3 169.1 42.0 9.6 40.1 122 130 A R > - 0 0 142 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.408 38.8-118.7 -70.0 149.9 41.0 6.9 37.5 123 131 A I H > S+ 0 0 11 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.905 114.5 46.8 -54.2 -49.7 42.2 7.3 33.9 124 132 A E H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.830 109.5 56.1 -64.6 -32.4 38.7 7.5 32.5 125 133 A E H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.927 111.5 41.5 -66.8 -43.3 37.7 10.0 35.2 126 134 A F H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.831 108.3 59.3 -73.3 -33.4 40.5 12.4 34.3 127 135 A Q H X S+ 0 0 55 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.932 108.3 48.4 -56.0 -44.2 40.0 11.9 30.6 128 136 A G H X S+ 0 0 32 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.859 108.2 51.8 -63.9 -40.6 36.5 13.2 31.4 129 137 A K H X S+ 0 0 5 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.844 112.9 47.5 -65.9 -31.1 37.8 16.1 33.4 130 138 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.873 110.5 49.7 -75.7 -39.9 40.1 17.0 30.4 131 139 A A H X S+ 0 0 41 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.875 109.3 53.7 -65.7 -39.3 37.3 16.7 27.8 132 140 A A H X S+ 0 0 16 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.857 108.9 50.4 -63.5 -35.5 35.2 19.0 30.1 133 141 A A H X S+ 0 0 0 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.973 111.0 45.2 -68.1 -53.4 38.0 21.5 30.0 134 142 A T H < S+ 0 0 27 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.840 115.6 49.1 -59.7 -32.9 38.4 21.5 26.2 135 143 A A H < S+ 0 0 70 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.923 107.3 54.6 -71.3 -44.2 34.6 21.8 25.8 136 144 A A H < S+ 0 0 19 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.755 88.2 97.6 -61.8 -27.9 34.3 24.6 28.3 137 145 A R < - 0 0 35 -4,-1.4 3,-0.1 1,-0.1 -41,-0.0 -0.366 56.3-160.5 -68.8 142.9 36.8 26.9 26.5 138 146 A A S S+ 0 0 81 1,-0.2 2,-0.7 -2,-0.1 -1,-0.1 0.889 78.5 53.6 -87.8 -47.6 35.6 29.6 24.1 139 147 A D S > S- 0 0 43 1,-0.1 3,-2.2 2,-0.0 -1,-0.2 -0.826 74.6-146.1 -95.6 117.4 38.7 30.3 22.1 140 148 A R T 3 S+ 0 0 169 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.0 0.626 97.1 66.4 -53.5 -15.2 40.1 27.1 20.5 141 149 A D T 3 S+ 0 0 44 2,-0.1 -1,-0.3 -35,-0.0 -133,-0.1 0.779 70.9 106.5 -79.2 -28.6 43.6 28.6 21.0 142 150 A F S < S- 0 0 0 -3,-2.2 2,-0.4 1,-0.1 -36,-0.2 -0.295 73.7-130.8 -48.2 131.1 43.3 28.5 24.8 143 151 A V E -e 106 0A 0 -38,-2.9 -36,-1.5 29,-0.0 2,-0.6 -0.730 16.5-157.3 -97.1 138.3 45.7 25.7 25.7 144 152 A V E -e 107 0A 0 -2,-0.4 29,-2.0 -38,-0.2 30,-1.1 -0.942 9.6-165.3-115.1 119.4 44.8 22.8 28.0 145 153 A I E -ef 108 174A 1 -38,-2.5 -36,-2.1 -2,-0.6 2,-0.4 -0.893 6.9-151.9-110.9 121.3 47.6 21.0 29.7 146 154 A A E -ef 109 175A 0 28,-2.2 30,-3.1 -2,-0.6 2,-0.6 -0.721 10.6-149.2 -88.4 136.6 47.2 17.7 31.4 147 155 A R E -ef 110 176A 28 -38,-2.3 -36,-1.8 -2,-0.4 2,-0.6 -0.901 3.1-154.1-114.8 110.8 49.6 16.9 34.2 148 156 A V E + f 0 177A 0 28,-2.6 30,-1.5 -2,-0.6 3,-0.3 -0.701 15.5 176.7 -87.0 116.3 50.6 13.3 34.8 149 157 A E > + 0 0 4 -2,-0.6 4,-1.7 1,-0.2 5,-0.1 0.230 47.7 110.8-102.0 12.3 51.6 12.7 38.4 150 158 A A H >>S+ 0 0 0 2,-0.2 5,-2.0 1,-0.2 4,-1.7 0.840 75.3 52.0 -56.8 -41.2 52.1 8.9 38.0 151 159 A L H >45S+ 0 0 8 27,-0.3 3,-0.8 -3,-0.3 -1,-0.2 0.969 110.2 49.1 -61.0 -50.1 55.9 9.0 38.4 152 160 A I H 345S+ 0 0 29 26,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.837 110.8 53.1 -53.7 -36.4 55.5 10.9 41.6 153 161 A A H 3<5S- 0 0 39 -4,-1.7 -1,-0.3 3,-0.1 -2,-0.2 0.781 109.0-126.5 -71.7 -29.6 53.0 8.3 42.6 154 162 A G T <<5S+ 0 0 64 -4,-1.7 -3,-0.2 -3,-0.8 -2,-0.1 0.777 71.5 129.3 85.4 26.4 55.4 5.4 41.9 155 163 A L < - 0 0 87 -5,-2.0 4,-0.3 1,-0.2 -4,-0.2 0.679 69.0-117.2 -84.1 -21.4 52.9 3.7 39.6 156 164 A G > - 0 0 30 -6,-0.6 4,-1.1 1,-0.1 -1,-0.2 -0.340 19.9 -73.9 112.1 169.2 55.7 3.5 37.0 157 165 A Q H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.877 122.5 57.7 -69.9 -44.0 56.7 4.6 33.5 158 166 A Q H > S+ 0 0 174 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.912 111.6 42.6 -53.1 -47.0 54.2 2.3 31.7 159 167 A E H > S+ 0 0 44 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.768 110.3 56.8 -71.8 -30.3 51.3 3.8 33.6 160 168 A A H X S+ 0 0 0 -4,-1.1 4,-2.8 2,-0.2 -2,-0.2 0.920 110.4 43.3 -68.8 -44.5 52.6 7.4 33.2 161 169 A V H X S+ 0 0 17 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.847 110.8 55.5 -69.6 -33.6 52.7 7.1 29.4 162 170 A R H X S+ 0 0 138 -4,-1.5 4,-1.6 -5,-0.3 -1,-0.2 0.833 111.9 44.9 -66.7 -33.0 49.3 5.4 29.3 163 171 A R H X S+ 0 0 15 -4,-1.4 4,-3.1 2,-0.2 5,-0.3 0.947 111.9 49.7 -75.7 -52.3 47.9 8.3 31.2 164 172 A G H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.892 115.5 44.8 -52.7 -41.0 49.6 10.9 29.1 165 173 A Q H X S+ 0 0 79 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.854 112.4 51.2 -71.4 -36.5 48.3 9.1 26.0 166 174 A A H X S+ 0 0 7 -4,-1.6 4,-0.9 2,-0.2 -2,-0.2 0.887 112.1 47.4 -66.9 -38.6 44.8 8.7 27.5 167 175 A Y H <>S+ 0 0 0 -4,-3.1 5,-2.4 1,-0.2 4,-0.4 0.869 107.9 54.8 -70.1 -39.4 44.7 12.5 28.3 168 176 A E H ><5S+ 0 0 39 -4,-2.0 3,-0.8 -5,-0.3 -1,-0.2 0.863 108.4 49.5 -59.8 -40.2 45.9 13.4 24.8 169 177 A E H 3<5S+ 0 0 159 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.711 104.7 58.4 -72.6 -23.9 43.0 11.4 23.3 170 178 A A T 3<5S- 0 0 19 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.598 134.1 -90.2 -80.2 -8.7 40.7 13.2 25.6 171 179 A G T < 5 + 0 0 28 -3,-0.8 -3,-0.2 -4,-0.4 2,-0.2 0.544 68.7 158.7 116.3 5.5 41.9 16.4 24.0 172 180 A A < - 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