==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAY-09 3HEA . COMPND 2 MOLECULE: ARYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR R.J.KAZLAUSKAS,J.D.SCHRAG,J.D.CHEESEMAN,K.L.MORLEY . 1626 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1226 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 189 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 100 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 225 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 554 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.8 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 7 2 3 6 6 0 0 0 9 15 2 4 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 0 16 7 7 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 . 8 0 6 6 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 . 6 0 0 0 0 6 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 1 A S 0 0 60 0, 0.0 12,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.0 -52.9 117.8 -11.8 2 2 A T E -A 12 0A 66 10,-0.3 2,-0.3 50,-0.0 10,-0.2 -0.987 360.0-169.6-142.6 150.9 -56.1 116.1 -12.8 3 3 A F E -A 11 0A 13 8,-1.8 8,-3.1 -2,-0.3 2,-0.5 -0.945 25.6-121.0-132.1 163.1 -57.2 113.3 -15.0 4 4 A V E -A 10 0A 88 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.913 24.7-141.6-108.3 122.7 -60.7 112.2 -16.1 5 5 A A > - 0 0 4 4,-3.2 3,-2.1 -2,-0.5 70,-0.1 -0.181 35.1 -91.3 -74.2 171.9 -61.9 108.7 -15.2 6 6 A K T 3 S+ 0 0 198 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.850 126.9 48.4 -53.4 -40.2 -64.0 106.6 -17.5 7 7 A D T 3 S- 0 0 78 2,-0.1 -1,-0.3 1,-0.0 -2,-0.0 0.389 126.2 -96.6 -86.4 5.6 -67.3 107.8 -16.0 8 8 A G S < S+ 0 0 45 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.364 73.4 149.1 98.9 -4.6 -66.2 111.4 -16.2 9 9 A T - 0 0 7 -5,-0.1 -4,-3.2 1,-0.1 2,-0.5 -0.474 42.9-137.4 -68.0 123.7 -64.9 111.8 -12.6 10 10 A Q E -A 4 0A 82 -2,-0.3 51,-2.8 -6,-0.2 2,-0.5 -0.740 20.8-161.7 -82.1 123.6 -62.1 114.3 -12.4 11 11 A I E -A 3 0A 2 -8,-3.1 -8,-1.8 -2,-0.5 2,-0.3 -0.933 7.6-141.8-112.6 126.0 -59.4 113.0 -10.1 12 12 A Y E +A 2 0A 21 -2,-0.5 41,-2.8 41,-0.3 2,-0.3 -0.635 28.2 165.9 -82.1 141.2 -56.7 115.2 -8.5 13 13 A F E -B 52 0B 4 -12,-2.7 2,-0.4 -2,-0.3 39,-0.3 -0.991 30.1-133.9-149.0 161.0 -53.1 114.0 -8.2 14 14 A K E -B 51 0B 4 37,-3.1 37,-2.1 -2,-0.3 2,-0.4 -0.934 13.1-169.8-111.6 141.4 -49.6 115.2 -7.4 15 15 A D E +B 50 0B 47 -2,-0.4 2,-0.4 35,-0.2 593,-0.4 -0.901 17.7 178.4-132.5 98.9 -46.6 114.2 -9.6 16 16 A W E -B 49 0B 2 33,-3.4 33,-2.8 -2,-0.4 -2,-0.0 -0.856 37.2 -15.1-112.3 139.4 -43.3 115.2 -8.0 17 17 A G S S- 0 0 25 -2,-0.4 2,-0.3 31,-0.2 31,-0.2 -0.203 72.1 -89.3 79.6-166.0 -39.7 114.8 -8.9 18 18 A S S S+ 0 0 94 29,-0.4 2,-0.3 25,-0.3 -2,-0.0 -0.975 70.6 55.2-149.1 160.9 -38.1 112.4 -11.5 19 19 A G S S+ 0 0 49 -2,-0.3 28,-0.2 28,-0.2 27,-0.1 -0.819 95.9 7.2 116.0-159.8 -36.7 108.9 -11.7 20 20 A K S S- 0 0 127 26,-0.5 28,-2.3 -2,-0.3 2,-0.2 -0.382 84.5-119.0 -57.6 130.8 -38.3 105.6 -10.8 21 21 A P E -c 48 0B 9 0, 0.0 68,-2.0 0, 0.0 2,-0.4 -0.508 25.0-168.6 -82.6 142.2 -42.0 106.2 -10.0 22 22 A V E -cd 49 89B 1 26,-2.4 28,-2.9 66,-0.2 2,-0.5 -0.990 10.7-158.4-125.4 119.6 -43.6 105.5 -6.6 23 23 A L E -cd 50 90B 0 66,-2.2 68,-3.1 -2,-0.4 2,-0.4 -0.888 5.1-155.6-108.2 122.7 -47.4 105.7 -6.6 24 24 A F E -cd 51 91B 0 26,-3.2 28,-1.0 -2,-0.5 2,-0.5 -0.818 7.5-164.4-103.6 132.6 -49.2 106.2 -3.3 25 25 A S E - d 0 92B 0 66,-2.9 68,-2.4 -2,-0.4 71,-0.2 -0.948 24.0-138.0-115.2 111.1 -52.8 105.2 -2.5 26 26 A H - 0 0 0 -2,-0.5 2,-0.1 26,-0.5 6,-0.1 -0.044 10.4-114.5 -71.9 165.3 -54.2 107.0 0.7 27 27 A G > - 0 0 0 4,-0.2 3,-2.2 68,-0.2 67,-0.1 -0.361 51.5 -47.3 -89.7 173.6 -56.3 105.7 3.6 28 28 A W T 3 S+ 0 0 15 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 -0.647 115.7 0.9 -88.5 141.6 -59.8 106.5 4.6 29 29 A P T 3 S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 157,-0.2 -0.437 113.4 82.0-106.2 62.4 -61.0 109.3 5.0 30 30 A L < - 0 0 9 -3,-2.2 28,-0.3 1,-0.1 2,-0.3 0.204 58.2-136.1-103.6-147.3 -58.0 111.2 4.0 31 31 A D > - 0 0 1 26,-0.1 3,-1.8 22,-0.1 4,-0.2 -0.897 47.3 -61.1-160.1-168.5 -56.3 112.4 0.7 32 32 A A G > S+ 0 0 0 1,-0.3 3,-1.7 -2,-0.3 4,-0.1 0.734 118.2 74.2 -58.7 -22.4 -53.0 112.7 -1.1 33 33 A D G > S+ 0 0 9 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.755 77.7 73.6 -64.3 -24.4 -51.7 115.0 1.6 34 34 A M G < S+ 0 0 33 -3,-1.8 -1,-0.3 1,-0.3 3,-0.2 0.729 99.8 48.3 -61.9 -17.4 -51.3 112.2 4.1 35 35 A W G <> S+ 0 0 0 -3,-1.7 4,-2.7 -4,-0.2 3,-0.5 0.384 75.8 110.8 -98.6 -0.8 -48.3 111.2 2.0 36 36 A E H <> S+ 0 0 2 -3,-1.9 4,-2.2 1,-0.3 5,-0.2 0.823 79.4 46.5 -53.4 -39.6 -46.6 114.6 1.8 37 37 A Y H > S+ 0 0 35 -4,-0.3 4,-2.1 -3,-0.2 -1,-0.3 0.880 113.7 47.0 -71.4 -39.1 -43.6 113.7 4.0 38 38 A Q H > S+ 0 0 2 -3,-0.5 4,-2.7 2,-0.2 5,-0.3 0.899 113.2 51.7 -65.4 -39.9 -42.9 110.4 2.3 39 39 A M H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.911 112.1 43.3 -63.2 -46.7 -43.2 112.1 -1.0 40 40 A E H X S+ 0 0 29 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.897 114.1 53.1 -65.9 -40.2 -40.7 114.9 -0.1 41 41 A Y H < S+ 0 0 33 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.947 117.2 35.1 -60.0 -51.5 -38.4 112.4 1.5 42 42 A L H ><>S+ 0 0 0 -4,-2.7 5,-1.7 1,-0.2 3,-1.4 0.889 116.2 53.0 -73.4 -40.7 -38.2 110.1 -1.6 43 43 A S H ><5S+ 0 0 10 -4,-2.6 3,-0.8 -5,-0.3 -25,-0.3 0.753 105.7 54.5 -71.2 -22.3 -38.4 112.8 -4.3 44 44 A S T 3<5S+ 0 0 56 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.510 107.3 55.1 -84.2 -2.8 -35.5 114.7 -2.7 45 45 A R T < 5S- 0 0 113 -3,-1.4 -1,-0.2 -4,-0.1 -2,-0.2 -0.044 131.6 -82.4-119.3 29.6 -33.6 111.4 -3.0 46 46 A G T < 5S+ 0 0 54 -3,-0.8 -26,-0.5 1,-0.3 2,-0.3 0.662 89.7 118.1 86.9 18.5 -34.0 110.7 -6.7 47 47 A Y < - 0 0 20 -5,-1.7 2,-0.5 -28,-0.2 -29,-0.4 -0.842 60.2-127.3-112.2 155.0 -37.4 109.2 -7.0 48 48 A R E - c 0 21B 57 -28,-2.3 -26,-2.4 -2,-0.3 2,-0.4 -0.885 29.1-160.9 -94.5 125.6 -40.6 110.3 -8.7 49 49 A T E -Bc 16 22B 0 -33,-2.8 -33,-3.4 -2,-0.5 2,-0.4 -0.930 10.3-177.0-115.4 134.2 -43.5 110.3 -6.3 50 50 A I E +Bc 15 23B 0 -28,-2.9 -26,-3.2 -2,-0.4 2,-0.3 -0.983 5.2 170.9-128.8 135.5 -47.2 110.3 -7.4 51 51 A A E -Bc 14 24B 0 -37,-2.1 -37,-3.1 -2,-0.4 2,-0.2 -0.977 10.6-162.8-148.0 135.9 -50.3 110.5 -5.2 52 52 A F E -B 13 0B 7 -28,-1.0 2,-0.6 -2,-0.3 -26,-0.5 -0.721 25.0-118.5-113.4 159.7 -53.9 110.9 -6.0 53 53 A D - 0 0 0 -41,-2.8 -41,-0.3 -2,-0.2 3,-0.1 -0.914 42.4-118.7 -91.4 119.1 -57.1 111.9 -4.1 54 54 A R > - 0 0 2 -2,-0.6 3,-2.5 1,-0.1 6,-0.3 -0.213 43.3 -81.9 -54.2 145.0 -59.4 108.9 -4.3 55 55 A R T 3 S+ 0 0 2 1,-0.3 7,-0.2 11,-0.1 -1,-0.1 -0.266 123.3 24.8 -45.5 133.1 -62.7 109.7 -6.1 56 56 A G T 3 S+ 0 0 1 5,-2.9 131,-3.2 1,-0.3 2,-0.3 0.387 111.5 92.3 88.0 -2.0 -65.0 111.4 -3.4 57 57 A F S X S- 0 0 0 -3,-2.5 3,-2.3 4,-0.3 -1,-0.3 -0.853 85.3 -24.6-126.1 156.3 -62.1 112.6 -1.4 58 58 A G T 3 S- 0 0 8 124,-0.4 -27,-0.1 -2,-0.3 -2,-0.0 -0.149 125.2 -12.3 52.6-125.5 -59.9 115.7 -1.0 59 59 A R T 3 S+ 0 0 75 -47,-0.1 -1,-0.3 127,-0.0 2,-0.1 0.355 110.7 104.9 -93.7 3.5 -59.7 117.7 -4.2 60 60 A S S < S- 0 0 6 -3,-2.3 -49,-0.2 -6,-0.3 -6,-0.1 -0.446 80.3 -90.5 -82.8 158.6 -61.3 115.1 -6.5 61 61 A D - 0 0 34 -51,-2.8 -5,-2.9 -2,-0.1 -4,-0.3 -0.167 34.0-129.1 -57.3 161.0 -64.9 115.1 -7.8 62 62 A Q - 0 0 15 -7,-0.2 225,-0.2 -6,-0.2 127,-0.1 -0.687 28.0-173.1-123.4 74.8 -67.6 113.4 -5.7 63 63 A P - 0 0 19 0, 0.0 225,-0.1 0, 0.0 124,-0.1 -0.361 25.9-139.8 -68.9 146.3 -69.5 110.9 -7.9 64 64 A W S S+ 0 0 37 223,-0.4 3,-0.3 225,-0.1 2,-0.2 0.842 86.9 47.4 -71.1 -33.9 -72.6 109.1 -6.6 65 65 A T S S+ 0 0 89 1,-0.2 3,-0.1 224,-0.1 125,-0.0 -0.599 90.0 46.6-106.6 165.4 -71.5 105.9 -8.3 66 66 A G + 0 0 16 -2,-0.2 2,-1.9 1,-0.2 -1,-0.2 0.616 57.9 142.1 85.5 13.6 -68.3 103.9 -8.6 67 67 A N + 0 0 11 -3,-0.3 2,-0.3 4,-0.1 130,-0.2 -0.448 45.2 97.1 -86.2 65.8 -67.4 104.0 -4.9 68 68 A D S > S- 0 0 64 -2,-1.9 4,-2.4 -3,-0.1 3,-0.2 -0.945 85.7-102.5-149.2 164.0 -66.1 100.4 -4.9 69 69 A Y H > S+ 0 0 3 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.826 115.2 57.0 -67.1 -34.9 -62.7 98.6 -5.3 70 70 A D H > S+ 0 0 60 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.923 113.3 42.7 -61.1 -41.3 -63.1 97.5 -8.9 71 71 A T H > S+ 0 0 34 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.906 112.9 52.1 -69.5 -41.8 -63.6 101.2 -9.8 72 72 A F H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.916 110.4 49.6 -58.5 -43.7 -60.8 102.4 -7.5 73 73 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.895 111.7 47.5 -62.6 -41.5 -58.5 99.9 -9.1 74 74 A D H X S+ 0 0 42 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.785 106.4 58.1 -72.5 -27.3 -59.4 101.1 -12.6 75 75 A D H X S+ 0 0 7 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.905 108.5 46.7 -62.8 -42.6 -58.9 104.7 -11.5 76 76 A I H X S+ 0 0 1 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.919 109.7 53.0 -64.7 -45.2 -55.4 103.7 -10.6 77 77 A A H X S+ 0 0 2 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.908 109.0 50.6 -53.9 -44.1 -54.9 101.9 -14.0 78 78 A Q H X S+ 0 0 55 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.842 110.7 47.9 -67.0 -33.9 -56.1 105.1 -15.8 79 79 A L H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.926 112.6 49.2 -70.1 -43.9 -53.6 107.3 -13.9 80 80 A I H X>S+ 0 0 0 -4,-2.7 5,-2.5 2,-0.2 4,-0.6 0.926 116.3 41.9 -59.9 -48.0 -50.8 104.8 -14.6 81 81 A E H ><5S+ 0 0 94 -4,-2.7 3,-0.7 3,-0.2 -2,-0.2 0.924 110.1 58.7 -63.8 -45.7 -51.7 104.7 -18.3 82 82 A H H 3<5S+ 0 0 107 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.855 118.1 31.2 -50.2 -41.8 -52.2 108.5 -18.3 83 83 A L H 3<5S- 0 0 34 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.462 106.1-128.5 -96.3 -3.3 -48.6 109.0 -17.2 84 84 A D T <<5 - 0 0 83 -3,-0.7 -3,-0.2 -4,-0.6 2,-0.2 0.933 38.5-168.8 51.9 52.2 -47.4 105.9 -18.9 85 85 A L < - 0 0 2 -5,-2.5 2,-0.3 -6,-0.1 -1,-0.2 -0.462 9.6-172.9 -75.1 140.3 -45.7 104.8 -15.7 86 86 A K + 0 0 131 1,-0.2 25,-0.1 -2,-0.2 26,-0.1 -0.976 64.6 12.1-133.5 149.9 -43.3 101.8 -15.8 87 87 A E S S+ 0 0 96 -2,-0.3 2,-0.3 23,-0.3 25,-0.3 0.915 85.7 178.7 49.8 49.4 -41.6 99.9 -13.0 88 88 A V E - e 0 112B 0 23,-2.8 25,-2.8 -3,-0.2 26,-1.3 -0.598 27.8-142.6 -84.7 137.2 -43.9 101.6 -10.5 89 89 A T E -de 22 114B 13 -68,-2.0 -66,-2.2 -2,-0.3 2,-0.5 -0.908 19.6-147.6 -98.2 115.6 -43.7 100.8 -6.8 90 90 A L E -de 23 115B 0 24,-2.6 26,-3.0 -2,-0.7 2,-0.5 -0.743 15.3-173.4 -89.0 127.3 -47.3 100.8 -5.5 91 91 A V E +de 24 116B 2 -68,-3.1 -66,-2.9 -2,-0.5 2,-0.4 -0.967 4.8 179.9-124.8 115.4 -47.7 101.9 -1.9 92 92 A G E -de 25 117B 0 24,-2.6 26,-3.0 -2,-0.5 2,-0.4 -0.943 11.7-158.0-119.6 137.9 -51.1 101.7 -0.2 93 93 A F E > - e 0 118B 2 -68,-2.4 3,-2.7 -2,-0.4 26,-0.2 -0.935 59.2 -40.2-110.7 135.3 -52.2 102.6 3.3 94 94 A S T > S+ 0 0 9 24,-2.6 27,-1.7 -2,-0.4 3,-1.7 -0.270 137.8 3.9 58.7-122.8 -55.2 101.2 5.1 95 95 A M T >> S+ 0 0 1 1,-0.3 3,-1.3 25,-0.2 4,-0.8 0.790 126.8 71.0 -63.7 -23.4 -58.1 100.9 2.7 96 96 A G H <> S+ 0 0 0 -3,-2.7 4,-1.3 1,-0.3 -1,-0.3 0.652 83.3 67.7 -68.0 -16.8 -55.6 102.0 0.0 97 97 A G H <> S+ 0 0 0 -3,-1.7 4,-1.5 -5,-0.2 -1,-0.3 0.827 96.4 59.2 -66.6 -30.4 -53.9 98.7 0.3 98 98 A G H <> S+ 0 0 0 -3,-1.3 4,-2.3 -4,-0.5 -2,-0.2 0.884 104.1 44.4 -67.3 -43.3 -57.1 97.3 -1.2 99 99 A D H X S+ 0 0 0 -4,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.817 111.6 51.8 -78.9 -27.2 -57.0 99.3 -4.5 100 100 A V H X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.881 114.4 45.3 -71.2 -34.7 -53.4 98.8 -5.3 101 101 A A H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.918 113.4 48.6 -70.6 -43.2 -53.9 95.0 -4.8 102 102 A R H X S+ 0 0 35 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.810 106.4 58.5 -68.6 -28.8 -57.1 95.0 -6.8 103 103 A Y H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.935 109.2 43.6 -62.9 -47.3 -55.3 97.0 -9.6 104 104 A I H X S+ 0 0 1 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.928 112.9 52.9 -62.0 -45.3 -52.7 94.2 -9.9 105 105 A A H < S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.865 119.5 34.2 -58.4 -37.8 -55.4 91.5 -9.7 106 106 A R H < S+ 0 0 114 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.735 133.5 24.3 -91.2 -26.0 -57.4 93.2 -12.6 107 107 A H H < S- 0 0 78 -4,-2.5 3,-0.4 1,-0.2 -3,-0.2 0.409 99.3-130.2-123.8 -0.4 -54.6 94.6 -14.7 108 108 A G < - 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0 0 3 97,-0.4 111,-0.4 -28,-0.1 -25,-0.2 -0.333 44.2-133.3 -83.2 148.9 -86.3 131.0 4.5 393 121 B V + 0 0 0 -27,-1.5 3,-0.2 -3,-0.1 82,-0.2 0.533 62.5 154.1 -71.1 -7.7 -85.9 134.8 4.4 394 122 B T + 0 0 1 -28,-0.3 112,-0.4 1,-0.3 111,-0.2 -0.410 49.4 13.1 -68.9 147.3 -89.1 134.9 2.2 395 123 B P S S- 0 0 0 0, 0.0 80,-3.0 0, 0.0 81,-0.3 -0.993 132.7 -26.3 -91.4 -10.0 -91.2 136.9 1.7 396 124 B I B -Q 474 0G 1 105,-0.3 78,-0.1 -3,-0.2 109,-0.1 -0.936 48.0-177.7-164.9 138.3 -89.3 139.8 3.3 397 125 B F + 0 0 8 76,-0.5 10,-2.3 73,-0.3 74,-0.2 0.843 63.9 51.2-109.4 -61.3 -86.6 139.9 6.0 398 126 B G B S-r 407 0H 1 73,-1.0 8,-0.2 72,-0.4 7,-0.1 -0.328 95.6 -78.0 -80.9 164.2 -85.6 143.5 6.8 399 127 B Q - 0 0 76 8,-2.6 -1,-0.1 7,-0.2 -2,-0.1 -0.269 43.5-178.8 -59.4 141.9 -87.9 146.4 7.7 400 128 B K B > -S 403 0I 61 3,-0.8 3,-1.8 -4,-0.1 6,-0.2 -0.868 45.8-100.5-128.2 166.5 -89.8 148.3 5.0 401 129 B P T 3 S+ 0 0 47 0, 0.0 652,-0.1 0, 0.0 651,-0.1 0.905 129.2 37.7 -56.6 -38.6 -92.1 151.3 5.5 402 130 B D T 3 S+ 0 0 13 1,-0.2 3,-0.1 650,-0.1 647,-0.0 0.301 117.5 56.4 -91.2 8.8 -95.1 149.0 5.3 403 131 B Y B X +S 400 0I 1 -3,-1.8 3,-1.9 1,-0.1 -3,-0.8 -0.413 53.5 152.0-138.1 58.6 -93.2 146.2 7.1 404 132 B P T 3 S+ 0 0 66 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.727 70.2 71.0 -59.7 -21.8 -92.1 147.7 10.5 405 133 B Q T 3 S+ 0 0 55 -3,-0.1 -6,-0.1 -7,-0.1 96,-0.1 0.654 81.9 93.8 -72.0 -16.2 -92.3 144.1 11.9 406 134 B G S < S- 0 0 5 -3,-1.9 -8,-0.3 -6,-0.2 -7,-0.2 -0.128 96.3 -75.6 -66.9 171.4 -89.2 143.2 9.8 407 135 B V B -r 398 0H 26 -10,-2.3 -8,-2.6 1,-0.1 -1,-0.1 -0.550 55.1-108.1 -71.6 127.5 -85.6 143.3 11.2 408 136 B P >> - 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