==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-MAY-10 3AJ3 . COMPND 2 MOLECULE: 4-PYRIDOXOLACTONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; . AUTHOR J.KOBAYASHI,Y.YOSHIKANE,S.BABA,B.MIKAMI,T.YAGI . 273 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11889.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 184 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 13.9 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 26 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.2 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 2 0 2 3 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 0 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 2 A S 0 0 120 0, 0.0 41,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 67.9 46.9 16.2 2.7 2 3 A D - 0 0 46 39,-0.1 2,-0.2 1,-0.1 193,-0.1 -0.499 360.0 -93.2 -74.9 146.1 48.0 17.2 6.2 3 4 A T - 0 0 12 -2,-0.2 2,-0.4 191,-0.1 38,-0.2 -0.377 46.1-177.5 -64.5 126.9 45.3 18.0 8.8 4 5 A K E -A 40 0A 41 36,-2.2 36,-2.8 -2,-0.2 2,-0.5 -0.967 13.5-152.4-122.6 143.4 44.3 21.7 9.0 5 6 A V E -AB 39 266A 0 261,-2.4 261,-2.6 -2,-0.4 2,-0.5 -0.973 10.4-174.2-117.5 125.7 41.8 23.3 11.4 6 7 A Y E -A 38 0A 29 32,-3.0 32,-3.1 -2,-0.5 2,-0.5 -0.975 16.8-142.5-114.3 129.9 40.0 26.5 10.5 7 8 A L E -A 37 0A 0 257,-0.5 255,-1.5 -2,-0.5 2,-0.9 -0.820 9.0-146.5 -94.4 125.1 37.7 28.1 13.0 8 9 A L E -A 36 0A 4 28,-2.9 28,-1.6 -2,-0.5 2,-0.3 -0.799 14.6-139.4 -93.7 103.3 34.5 29.6 11.6 9 10 A D E -A 35 0A 37 -2,-0.9 26,-0.2 26,-0.2 3,-0.1 -0.454 21.0-176.2 -64.7 118.3 33.7 32.8 13.6 10 11 A G E - 0 0 5 24,-2.4 42,-0.3 1,-0.4 2,-0.2 0.118 37.3-113.7-109.1 21.6 30.0 32.7 14.1 11 12 A G E - 0 0 5 23,-0.1 23,-2.0 57,-0.1 -1,-0.4 -0.535 43.6 -71.7 82.8-149.1 29.5 36.0 15.9 12 13 A S E -AC 33 67A 12 55,-2.8 55,-2.1 21,-0.3 2,-0.3 -0.935 27.3-162.7-150.0 163.8 28.3 36.3 19.5 13 14 A L E -A 32 0A 0 19,-2.2 19,-2.7 -2,-0.3 2,-0.4 -0.881 21.3-124.6-137.8 170.4 25.5 36.0 22.0 14 15 A V E +A 31 0A 4 50,-2.1 2,-0.3 -2,-0.3 17,-0.2 -0.963 26.1 167.8-123.3 142.0 24.9 37.2 25.5 15 16 A L E -A 30 0A 12 15,-2.2 15,-2.4 -2,-0.4 2,-0.2 -0.927 42.1 -93.8-134.6 165.3 24.0 35.4 28.7 16 17 A D E >> -A 29 0A 50 -2,-0.3 4,-1.8 13,-0.2 3,-1.5 -0.511 36.1-116.7 -72.0 151.4 23.9 36.4 32.4 17 18 A G H 3> S+ 0 0 1 11,-2.0 4,-2.8 1,-0.3 8,-0.4 0.781 118.4 61.7 -57.2 -27.7 27.1 35.6 34.3 18 19 A Y H 34>S+ 0 0 122 2,-0.2 5,-0.7 1,-0.2 -1,-0.3 0.725 103.4 49.6 -71.1 -23.7 24.9 33.2 36.3 19 20 A H H <45S+ 0 0 69 -3,-1.5 202,-3.0 3,-0.1 203,-0.5 0.877 115.0 43.1 -73.5 -44.6 24.3 31.3 33.1 20 21 A V H <5S+ 0 0 4 -4,-1.8 2,-0.8 1,-0.3 189,-0.2 0.953 124.8 32.6 -70.2 -49.2 27.9 31.1 32.3 21 22 A F T X5S- 0 0 25 -4,-2.8 4,-2.5 5,-0.2 3,-0.4 -0.839 98.7-126.7-111.9 92.7 29.2 30.3 35.8 22 23 A W T 45S- 0 0 84 197,-2.4 2,-1.2 -2,-0.8 -3,-0.1 -0.114 80.2 -21.4 -48.6 120.7 26.5 28.2 37.3 23 24 A N T 4 - D 0 44A 19 3,-2.2 3,-1.3 -2,-0.8 -39,-0.1 -0.806 53.2-110.8-128.5 159.3 41.6 16.2 6.3 42 43 A A T 3 S+ 0 0 47 -41,-0.5 3,-0.1 -2,-0.3 -40,-0.1 0.861 121.0 51.6 -55.8 -34.9 42.9 13.6 3.9 43 44 A E T 3 S- 0 0 87 1,-0.3 2,-0.3 131,-0.1 -1,-0.3 0.523 127.1 -79.2 -83.8 -6.4 39.6 11.8 4.4 44 45 A G E < -D 41 0A 13 -3,-1.3 -3,-2.2 2,-0.1 2,-0.6 -0.859 59.5 -48.6 141.5-173.6 37.5 14.9 3.6 45 46 A R E -D 40 0A 74 -2,-0.3 44,-2.0 42,-0.3 45,-1.9 -0.897 50.6-169.3-100.9 121.8 36.2 18.1 5.0 46 47 A F E -De 39 90A 11 -7,-2.3 -7,-3.5 -2,-0.6 2,-0.6 -0.933 6.7-161.0-113.1 129.8 34.6 17.7 8.4 47 48 A L E -De 38 91A 0 43,-2.9 45,-2.8 -2,-0.5 2,-0.7 -0.956 3.6-159.5-115.2 117.2 32.6 20.5 10.0 48 49 A I E -De 37 92A 2 -11,-3.2 -11,-2.7 -2,-0.6 45,-0.2 -0.875 65.7 -12.3 -99.2 114.6 32.0 20.2 13.8 49 50 A D - 0 0 3 43,-3.3 52,-0.2 -2,-0.7 -12,-0.2 0.258 59.2-136.5 70.9 158.4 29.1 22.3 14.8 50 51 A T - 0 0 1 50,-1.3 24,-0.2 1,-0.3 51,-0.2 0.090 34.0-128.1-139.6 23.6 27.3 25.0 12.7 51 52 A G - 0 0 4 -16,-0.3 51,-2.8 48,-0.3 50,-0.4 -0.107 44.6 -47.3 66.8-160.6 26.8 27.9 15.0 52 53 A Y - 0 0 8 -42,-0.3 2,-0.6 50,-0.2 47,-0.2 -0.773 43.6-119.7-109.1 157.1 23.5 29.7 15.5 53 54 A D > - 0 0 27 45,-0.3 4,-2.1 -2,-0.3 5,-0.2 -0.857 19.9-146.9 -92.1 123.6 20.8 30.9 13.1 54 55 A Y H > S+ 0 0 91 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.910 95.5 48.8 -58.9 -47.1 20.3 34.7 13.5 55 56 A D H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.900 109.5 53.3 -62.2 -42.2 16.6 34.7 12.7 56 57 A H H >>S+ 0 0 13 1,-0.2 4,-3.1 2,-0.2 5,-0.6 0.927 110.8 46.2 -59.1 -45.9 15.9 31.9 15.1 57 58 A V H X5S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 7,-0.2 0.923 111.6 50.7 -65.9 -42.0 17.6 33.6 17.9 58 59 A X H <5S+ 0 0 86 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.838 118.3 40.6 -63.7 -31.3 15.9 37.0 17.2 59 60 A K H <5S+ 0 0 170 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.920 132.3 18.1 -78.3 -49.0 12.5 35.1 17.2 60 61 A V H <5S+ 0 0 52 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.772 137.6 22.9-103.4 -31.5 12.9 32.7 20.1 61 62 A L ><< + 0 0 1 -4,-1.6 3,-2.5 -5,-0.6 -1,-0.2 -0.306 63.8 148.7-132.4 52.8 15.8 34.0 22.2 62 63 A P G > + 0 0 59 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.736 66.8 73.8 -66.1 -17.7 16.1 37.7 21.5 63 64 A F G 3 S+ 0 0 125 1,-0.3 -5,-0.1 -6,-0.1 -2,-0.0 0.626 84.4 68.7 -65.9 -12.4 17.3 38.3 25.1 64 65 A E G < S- 0 0 6 -3,-2.5 -50,-2.1 -7,-0.2 -1,-0.3 0.404 96.6-145.4 -88.3 2.8 20.6 36.7 23.9 65 66 A K < - 0 0 101 -3,-2.0 -2,-0.1 -52,-0.2 -7,-0.1 0.828 17.2-148.7 42.9 60.8 21.2 39.8 21.8 66 67 A P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 -53,-0.2 -0.305 16.8-168.9 -63.9 140.6 22.9 38.1 18.8 67 68 A I B +C 12 0A 86 -55,-2.1 -55,-2.8 -57,-0.1 2,-0.3 -0.982 21.3 152.9-125.3 122.1 25.5 39.9 16.8 68 69 A Q - 0 0 31 -2,-0.4 -57,-0.1 -57,-0.2 5,-0.1 -0.872 26.8-152.7-153.2 111.3 26.4 38.1 13.5 69 70 A E > - 0 0 117 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.264 39.3 -95.2 -77.9 169.1 27.7 39.8 10.4 70 71 A K G > S+ 0 0 187 1,-0.3 3,-1.1 2,-0.2 6,-0.3 0.856 126.7 52.7 -53.8 -37.1 27.3 38.4 6.9 71 72 A H G 3 S+ 0 0 72 1,-0.2 -1,-0.3 5,-0.2 9,-0.2 0.482 100.7 64.7 -80.7 0.5 30.7 36.7 7.0 72 73 A Q G < S+ 0 0 23 -3,-2.2 -1,-0.2 4,-0.1 -2,-0.2 0.329 78.5 92.5-108.0 2.1 29.8 35.1 10.3 73 74 A T S <> S- 0 0 42 -3,-1.1 4,-2.8 -4,-0.3 5,-0.2 -0.438 95.2-105.4 -75.8 168.3 27.0 32.9 8.9 74 75 A I H > S+ 0 0 12 2,-0.2 4,-2.7 -24,-0.2 5,-0.3 0.959 122.9 45.8 -66.8 -46.8 28.2 29.4 7.9 75 76 A P H > S+ 0 0 45 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.931 114.9 49.7 -60.1 -38.9 28.0 30.2 4.2 76 77 A G H > S+ 0 0 17 -6,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.911 112.1 46.0 -64.5 -43.2 29.7 33.6 4.9 77 78 A A H X S+ 0 0 4 -4,-2.8 4,-0.5 1,-0.2 3,-0.3 0.896 112.9 49.6 -67.9 -39.7 32.6 32.1 6.9 78 79 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.3 -5,-0.2 3,-1.3 0.870 104.4 61.8 -62.3 -35.2 33.1 29.3 4.4 79 80 A G H ><5S+ 0 0 43 -4,-2.0 3,-1.7 -5,-0.3 -1,-0.2 0.830 93.1 61.9 -61.4 -34.7 33.2 32.1 1.7 80 81 A L H 3<5S+ 0 0 83 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.775 107.3 46.6 -59.2 -25.8 36.2 33.6 3.4 81 82 A L T <<5S- 0 0 37 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.310 121.3-107.0 -98.7 5.0 38.0 30.4 2.6 82 83 A G T < 5S+ 0 0 67 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.812 84.8 116.2 68.8 31.7 36.7 30.1 -1.0 83 84 A L < - 0 0 20 -5,-2.3 -1,-0.3 -8,-0.1 -2,-0.1 -0.767 47.7-160.1-122.3 168.2 34.4 27.4 0.0 84 85 A E > - 0 0 122 -2,-0.3 3,-2.4 -3,-0.1 4,-0.3 -0.918 43.8 -89.2-139.7 169.4 30.7 26.7 0.2 85 86 A P G > S+ 0 0 24 0, 0.0 3,-2.2 0, 0.0 21,-0.0 0.841 120.4 63.2 -49.2 -37.4 28.5 24.3 2.1 86 87 A R G 3 S+ 0 0 191 1,-0.3 21,-0.0 24,-0.0 -3,-0.0 0.685 91.3 68.1 -65.8 -13.7 28.7 21.6 -0.6 87 88 A D G < S+ 0 0 55 -3,-2.4 2,-0.5 2,-0.0 -1,-0.3 0.609 83.0 88.6 -75.6 -13.0 32.5 21.4 -0.1 88 89 A I < - 0 0 0 -3,-2.2 -42,-0.2 -4,-0.3 3,-0.1 -0.769 55.2-173.1 -92.1 130.9 31.9 19.9 3.3 89 90 A D + 0 0 84 -44,-2.0 22,-2.5 -2,-0.5 2,-0.4 0.816 68.2 25.0 -89.4 -35.3 31.6 16.1 3.4 90 91 A V E -ef 46 111A 13 -45,-1.9 -43,-2.9 20,-0.2 2,-0.5 -0.998 59.1-160.2-139.8 131.9 30.6 15.4 7.0 91 92 A V E -ef 47 112A 0 20,-3.1 22,-2.3 -2,-0.4 2,-0.4 -0.960 11.7-171.8-110.4 128.4 28.8 17.5 9.6 92 93 A V E -ef 48 113A 1 -45,-2.8 -43,-3.3 -2,-0.5 2,-0.5 -0.966 8.3-154.1-117.2 135.3 29.2 16.5 13.3 93 94 A N - 0 0 0 20,-2.1 22,-0.5 -2,-0.4 3,-0.1 -0.958 12.1-156.6-110.9 128.4 27.2 18.1 16.0 94 95 A S S S- 0 0 2 -2,-0.5 95,-1.4 1,-0.3 2,-0.3 0.822 81.8 -33.0 -63.1 -31.6 28.6 18.2 19.6 95 96 A H - 0 0 0 93,-0.2 -1,-0.3 2,-0.2 5,-0.0 -0.929 64.2-101.2-178.1 168.1 24.9 18.5 20.7 96 97 A F + 0 0 0 -2,-0.3 39,-0.3 -3,-0.1 2,-0.2 -0.001 63.4 134.7-105.5 32.0 21.7 20.1 19.4 97 98 A H S > S- 0 0 12 36,-0.1 3,-2.3 1,-0.1 4,-0.5 -0.563 72.2-107.2 -66.9 150.3 21.5 23.3 21.4 98 99 A F G >> S+ 0 0 6 34,-2.3 4,-0.7 33,-0.3 3,-0.5 0.699 115.0 61.6 -61.5 -24.8 20.5 26.0 18.9 99 100 A D G 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 -48,-0.3 0.397 108.6 42.8 -86.2 5.1 24.0 27.6 18.9 100 101 A H G <4 S+ 0 0 3 -3,-2.3 -50,-1.3 -50,-0.2 -1,-0.2 0.383 121.5 33.2-125.3 0.2 25.7 24.5 17.6 101 102 A C T X4 S+ 0 0 0 -3,-0.5 3,-1.2 -4,-0.5 4,-0.3 0.268 77.4 109.1-139.9 13.0 23.3 23.3 14.9 102 103 A G T 3< S+ 0 0 1 -51,-2.8 -50,-0.2 -4,-0.7 3,-0.2 0.638 84.6 46.4 -72.4 -15.5 21.7 26.4 13.4 103 104 A G T > S+ 0 0 2 -52,-0.4 3,-1.8 1,-0.1 -1,-0.3 0.377 79.6 99.3-104.3 3.4 23.6 26.0 10.1 104 105 A N G X + 0 0 8 -3,-1.2 3,-2.4 1,-0.3 -2,-0.1 0.820 68.2 75.0 -57.4 -32.7 23.0 22.3 9.6 105 106 A K G 3 S+ 0 0 29 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.695 87.5 61.0 -53.7 -23.4 20.2 23.2 7.1 106 107 A Y G < S+ 0 0 81 -3,-1.8 -1,-0.3 1,-0.2 3,-0.2 0.423 95.9 64.0 -86.7 3.2 22.8 24.1 4.5 107 108 A F X + 0 0 0 -3,-2.4 3,-1.5 1,-0.2 -1,-0.2 -0.206 48.1 138.4-124.6 44.5 24.3 20.7 4.4 108 109 A P T 3 S+ 0 0 54 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.832 77.2 55.1 -58.4 -31.1 21.6 18.2 3.1 109 110 A H T 3 S+ 0 0 77 -3,-0.2 -2,-0.1 2,-0.1 2,-0.1 0.654 94.0 93.1 -73.2 -20.4 24.3 16.5 0.9 110 111 A A S < S- 0 0 10 -3,-1.5 2,-0.3 50,-0.1 -20,-0.2 -0.341 81.5-111.9 -79.7 155.2 26.6 15.8 3.8 111 112 A K E -f 90 0A 101 -22,-2.5 -20,-3.1 -2,-0.1 2,-0.4 -0.689 36.8-147.4 -73.2 138.3 26.9 12.8 6.1 112 113 A K E -fg 91 163A 11 50,-0.6 52,-2.9 -2,-0.3 2,-0.4 -0.931 17.4-178.3-114.2 137.9 25.7 13.8 9.6 113 114 A I E +fg 92 164A 17 -22,-2.3 -20,-2.1 -2,-0.4 2,-0.3 -0.989 13.7 142.4-134.2 140.3 27.1 12.3 12.8 114 115 A C E - g 0 165A 2 50,-1.8 52,-1.8 -2,-0.4 -20,-0.1 -0.960 57.5 -61.7-162.4 171.6 26.1 12.9 16.5 115 116 A H E >> - g 0 166A 18 -22,-0.5 3,-1.9 72,-0.4 4,-0.6 -0.369 49.2-119.8 -63.0 142.1 25.8 11.1 19.7 116 117 A R T 34 S+ 0 0 190 50,-3.0 -1,-0.1 1,-0.3 51,-0.1 0.728 111.6 52.8 -52.6 -28.6 23.1 8.3 19.5 117 118 A S T 3> S+ 0 0 25 49,-0.3 4,-1.8 1,-0.1 -1,-0.3 0.623 91.4 75.7 -85.3 -13.1 21.2 10.1 22.3 118 119 A E H <> S+ 0 0 0 -3,-1.9 4,-2.4 2,-0.2 5,-0.2 0.887 90.6 48.2 -78.9 -40.6 20.9 13.6 20.8 119 120 A V H X S+ 0 0 16 -4,-0.6 4,-2.2 2,-0.2 5,-0.2 0.957 114.3 49.5 -62.8 -44.6 18.3 13.3 18.1 120 121 A P H > S+ 0 0 73 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.906 110.5 50.8 -58.7 -38.2 16.0 11.5 20.6 121 122 A Q H < S+ 0 0 23 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.907 108.7 51.0 -65.5 -40.7 16.7 14.3 23.2 122 123 A A H < S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -3,-0.1 0.877 111.7 48.7 -61.4 -37.5 15.8 16.9 20.6 123 124 A C H < S+ 0 0 10 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.856 132.4 14.4 -68.0 -36.4 12.6 15.1 19.9 124 125 A N S < S+ 0 0 131 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 -0.593 84.0 175.3-144.4 72.1 11.7 14.8 23.6 125 126 A P - 0 0 18 0, 0.0 5,-0.1 0, 0.0 -3,-0.1 -0.274 40.8 -89.4 -78.2 164.1 13.8 17.1 25.7 126 127 A Q > - 0 0 89 1,-0.1 3,-2.4 3,-0.1 4,-0.2 -0.352 44.3-107.1 -62.8 153.4 13.4 17.7 29.4 127 128 A P G > S+ 0 0 105 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.848 122.4 52.3 -54.0 -31.5 11.0 20.5 30.3 128 129 A F G 3 S+ 0 0 123 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.418 100.6 63.3 -86.3 2.1 14.0 22.6 31.2 129 130 A E G <> + 0 0 8 -3,-2.4 4,-2.6 1,-0.1 -1,-0.2 0.250 68.6 102.1-106.7 9.5 15.8 22.0 27.9 130 131 A H T <4 S+ 0 0 93 -3,-0.8 -1,-0.1 -4,-0.2 -2,-0.1 0.842 81.5 48.5 -68.9 -31.6 13.3 23.6 25.5 131 132 A L T >4 S+ 0 0 54 -3,-0.2 3,-0.7 1,-0.1 -33,-0.3 0.863 114.3 46.9 -75.4 -35.7 15.3 26.8 25.0 132 133 A G T 34 S+ 0 0 5 1,-0.3 -34,-2.3 -4,-0.2 2,-1.6 0.979 116.9 42.0 -65.6 -56.7 18.5 24.9 24.3 133 134 A Y T 3< S+ 0 0 0 -4,-2.6 -1,-0.3 -36,-0.2 -36,-0.1 -0.382 84.3 119.6 -87.0 58.7 16.8 22.5 21.9 134 135 A S < + 0 0 10 -2,-1.6 2,-0.7 -3,-0.7 -1,-0.2 0.633 55.0 67.3-100.2 -19.8 14.8 25.3 20.3 135 136 A D + 0 0 3 -3,-0.5 3,-0.4 -39,-0.3 -1,-0.1 -0.893 50.2 169.0-109.1 105.4 16.0 25.1 16.7 136 137 A L > + 0 0 2 -2,-0.7 3,-2.0 1,-0.2 7,-0.5 0.257 45.7 108.6 -98.7 14.0 14.9 21.9 15.0 137 138 A S T 3 + 0 0 1 1,-0.3 16,-0.3 5,-0.1 -1,-0.2 0.637 68.8 68.9 -67.4 -11.9 15.9 22.9 11.4 138 139 A F T 3 S+ 0 0 4 -3,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.567 106.2 37.5 -79.8 -9.8 18.7 20.4 11.6 139 140 A S <> - 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0 0 0 44,-2.5 3,-1.6 -2,-0.7 45,-0.2 0.785 16.0-176.1 -72.0 -24.9 36.2 21.4 25.0 205 206 A I E > - k 0 249B 7 43,-0.5 3,-1.6 1,-0.2 45,-0.8 -0.313 67.9 -19.2 46.6-140.3 33.1 22.8 23.3 206 207 A D T 3 S+ 0 0 4 -17,-0.3 3,-0.3 1,-0.3 14,-0.3 0.421 120.7 84.2 -84.5 8.9 30.3 23.2 25.9 207 208 A A T < S+ 0 0 10 -3,-1.6 -1,-0.3 1,-0.3 2,-0.2 0.727 113.6 15.8 -70.6 -21.8 31.8 20.8 28.5 208 209 A A < - 0 0 2 -3,-1.6 42,-1.1 -4,-0.1 -1,-0.3 -0.784 66.0-170.6-152.8 107.3 33.7 24.0 29.4 209 210 A Y S S+ 0 0 8 -3,-0.3 42,-2.1 -2,-0.2 2,-0.3 0.852 75.5 9.6 -64.7 -37.9 32.6 27.4 28.2 210 211 A T S > S- 0 0 13 40,-0.1 4,-1.7 -190,-0.1 5,-0.2 -0.893 75.8-105.9-140.0 167.1 35.8 29.2 29.4 211 212 A Q H > S+ 0 0 75 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.937 122.6 53.2 -58.4 -46.8 39.2 28.6 30.8 212 213 A K H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 6,-0.4 0.886 103.9 58.6 -54.7 -41.3 38.0 29.7 34.2 213 214 A S H >>S+ 0 0 0 1,-0.2 5,-1.4 2,-0.2 4,-0.8 0.927 110.5 39.8 -54.2 -49.3 35.2 27.1 33.9 214 215 A L H <5S+ 0 0 7 -4,-1.7 3,-0.3 2,-0.2 -1,-0.2 0.892 114.6 52.8 -73.8 -38.5 37.6 24.2 33.5 215 216 A E H <5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.915 119.7 33.9 -58.8 -45.6 40.0 25.5 36.1 216 217 A T H <5S- 0 0 48 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.446 101.8-125.9 -94.0 -2.1 37.3 25.9 38.8 217 218 A L T <5 + 0 0 42 -4,-0.8 2,-0.8 -3,-0.3 -3,-0.2 0.809 64.1 143.0 55.8 28.9 35.1 22.9 37.7 218 219 A C < - 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0 0 34 -2,-0.2 2,-0.4 -259,-0.1 -259,-0.2 -0.943 32.4-111.0-150.6 168.2 44.5 28.1 10.6 266 267 A Y B S+B 5 0A 6 -261,-2.6 -261,-2.4 -2,-0.3 0, 0.0 -0.858 85.3 53.5-106.7 140.9 46.1 25.4 12.8 267 268 A G - 0 0 2 -2,-0.4 -1,-0.2 -263,-0.2 -265,-0.1 0.779 68.5-174.1 106.6 42.1 48.4 22.7 11.3 268 269 A H - 0 0 92 -3,-0.2 2,-0.1 1,-0.1 -1,-0.1 -0.261 23.4-113.1 -69.0 151.8 51.0 24.6 9.3 269 270 A H - 0 0 99 1,-0.1 -1,-0.1 -267,-0.1 2,-0.1 -0.429 33.4-104.2 -74.5 156.9 53.7 23.0 7.2 270 271 A H - 0 0 93 1,-0.1 -1,-0.1 -2,-0.1 -73,-0.0 -0.314 22.4-158.0 -65.1 164.7 57.4 23.2 8.0 271 272 A H S S+ 0 0 168 -2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.572 87.3 24.1-121.6 -20.9 59.4 25.6 5.9 272 273 A H 0 0 158 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.028 360.0 360.0-134.7 29.8 62.9 24.1 6.4 273 274 A H 0 0 180 0, 0.0 -4,-0.0 0, 0.0 -3,-0.0 -0.633 360.0 360.0-128.7 360.0 62.3 20.5 7.3