==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-DEC-01 1KLK . COMPND 2 MOLECULE: DIHYDROFOLATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PNEUMOCYSTIS CARINII; . AUTHOR V.CODY,N.GALITSKY,J.R.LUFT,W.PANGBORN,A.ROSOWSKY,S.F.QUEENER . 203 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11414.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 9.4 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 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 21 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 2 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 PARALLEL BRIDGES PER LADDER . 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 4 A Q 0 0 143 0, 0.0 3,-0.1 0, 0.0 99,-0.0 0.000 360.0 360.0 360.0 99.6 -6.1 15.1 22.3 2 5 A K - 0 0 97 1,-0.1 2,-0.1 113,-0.0 114,-0.1 0.038 360.0 -73.9 -61.8 177.7 -6.1 12.9 19.2 3 6 A S - 0 0 56 1,-0.0 114,-0.7 133,-0.0 2,-0.4 -0.436 43.8-132.7 -76.6 153.1 -4.7 9.3 19.2 4 7 A L E -ab 117 135A 0 130,-1.6 132,-1.6 -2,-0.1 133,-1.1 -0.869 14.4-156.3-107.3 140.7 -1.0 8.7 19.3 5 8 A T E -ab 118 137A 5 112,-2.5 114,-3.3 -2,-0.4 2,-0.5 -0.954 2.1-153.6-120.2 136.4 0.8 6.2 17.1 6 9 A L E -ab 119 138A 0 131,-2.3 133,-3.3 -2,-0.4 2,-0.5 -0.922 9.1-168.9-110.1 128.6 4.1 4.5 17.8 7 10 A I E + b 0 139A 5 112,-1.7 2,-0.3 -2,-0.5 133,-0.2 -0.971 16.9 156.3-122.0 128.2 6.4 3.3 15.0 8 11 A V E - b 0 140A 7 131,-2.7 133,-1.8 -2,-0.5 2,-0.5 -0.991 34.9-148.2-150.1 154.0 9.4 1.1 15.5 9 12 A A E + b 0 141A 18 -2,-0.3 2,-0.3 131,-0.2 133,-0.2 -0.998 38.0 164.0-120.4 121.3 11.7 -1.4 13.9 10 13 A L E - b 0 142A 1 131,-2.8 133,-2.4 -2,-0.5 6,-0.2 -0.985 35.8-118.1-145.0 154.0 13.0 -3.9 16.4 11 14 A T E > - b 0 143A 0 4,-2.4 3,-1.4 -2,-0.3 133,-0.2 -0.139 44.5 -97.4 -76.4 178.0 14.7 -7.3 16.6 12 15 A T T 3 S+ 0 0 57 131,-0.9 134,-0.1 1,-0.3 132,-0.1 0.646 128.3 56.4 -74.8 -11.6 13.0 -10.3 18.3 13 16 A S T 3 S- 0 0 39 132,-0.2 -1,-0.3 134,-0.1 3,-0.1 0.132 123.2-109.6-101.0 19.0 15.0 -9.5 21.5 14 17 A Y < + 0 0 8 -3,-1.4 139,-2.5 1,-0.2 2,-0.2 0.665 65.4 157.0 62.2 20.3 13.4 -6.0 21.3 15 18 A G E +I 152 0B 0 137,-0.2 -4,-2.4 1,-0.1 137,-0.3 -0.571 15.3 171.9 -75.5 139.5 16.7 -4.5 20.3 16 19 A I E + 0 0 20 135,-2.8 2,-0.3 1,-0.3 136,-0.2 0.328 54.6 7.7-130.1 6.8 16.3 -1.2 18.5 17 20 A G E -I 151 0B 6 134,-0.9 133,-2.8 5,-0.1 134,-0.9 -0.897 47.2-146.1 176.7 151.1 19.8 0.4 18.1 18 21 A R S S- 0 0 106 3,-2.2 3,-0.2 131,-0.3 131,-0.1 -0.967 81.8 -16.0-134.0 117.6 23.5 0.0 18.5 19 22 A S S S- 0 0 78 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.975 124.1 -53.2 55.9 63.1 25.8 2.9 19.4 20 23 A N S S+ 0 0 111 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.805 129.1 76.9 43.1 36.4 23.4 5.7 18.7 21 24 A S S S- 0 0 80 -3,-0.2 -3,-2.2 41,-0.0 -1,-0.2 -0.878 90.0 -86.3-154.5-177.3 22.9 4.2 15.2 22 25 A L - 0 0 88 -2,-0.3 2,-1.2 -5,-0.2 -5,-0.1 -0.910 21.4-146.4-109.4 117.7 21.1 1.3 13.4 23 26 A P S S+ 0 0 39 0, 0.0 2,-0.3 0, 0.0 125,-0.1 0.092 80.9 54.9 -67.0 28.7 22.9 -2.0 13.3 24 27 A W - 0 0 27 -2,-1.2 2,-0.5 2,-0.1 -2,-0.1 -0.990 65.6-144.2-162.1 152.3 21.3 -2.6 9.8 25 28 A K + 0 0 168 -2,-0.3 2,-0.5 164,-0.1 0, 0.0 -0.803 29.9 167.5-121.8 87.3 20.8 -1.1 6.4 26 29 A L > - 0 0 9 -2,-0.5 4,-0.9 1,-0.1 -2,-0.1 -0.904 16.0-175.4-104.9 125.1 17.3 -1.9 5.1 27 30 A K H > S+ 0 0 170 -2,-0.5 4,-0.8 2,-0.2 -1,-0.1 0.835 84.1 49.7 -86.1 -35.7 16.1 0.0 2.0 28 31 A K H > S+ 0 0 99 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.681 107.6 54.4 -78.5 -19.5 12.6 -1.3 1.9 29 32 A E H > S+ 0 0 13 2,-0.2 4,-2.8 1,-0.2 3,-0.3 0.922 103.3 55.1 -79.1 -46.9 11.9 -0.6 5.6 30 33 A I H X S+ 0 0 74 -4,-0.9 4,-1.9 1,-0.3 -2,-0.2 0.811 105.9 52.6 -56.5 -29.5 12.8 3.1 5.3 31 34 A S H X S+ 0 0 74 -4,-0.8 4,-2.1 2,-0.2 -1,-0.3 0.881 108.8 50.2 -74.4 -36.5 10.3 3.5 2.4 32 35 A Y H X S+ 0 0 16 -4,-1.0 4,-2.7 -3,-0.3 5,-0.3 0.980 108.4 53.1 -61.7 -53.6 7.6 2.0 4.6 33 36 A F H X S+ 0 0 40 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.910 111.7 44.8 -44.6 -55.0 8.6 4.4 7.5 34 37 A K H X S+ 0 0 121 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.885 113.4 47.5 -62.3 -44.3 8.2 7.5 5.3 35 38 A R H X S+ 0 0 177 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.918 114.0 48.7 -65.3 -40.9 5.0 6.5 3.5 36 39 A V H < S+ 0 0 2 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.929 115.6 41.5 -64.7 -48.5 3.4 5.6 6.8 37 40 A T H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.686 122.7 43.8 -74.2 -16.0 4.4 8.8 8.6 38 41 A S H < S+ 0 0 38 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.676 87.6 104.0-101.3 -21.4 3.6 10.8 5.5 39 42 A F < - 0 0 61 -4,-2.6 140,-0.1 -5,-0.1 10,-0.0 -0.379 43.9-175.9 -68.6 139.4 0.2 9.3 4.4 40 43 A V - 0 0 50 -2,-0.1 138,-0.0 138,-0.1 8,-0.0 -0.985 30.9-112.3-137.1 121.7 -3.0 11.2 5.0 41 44 A P > - 0 0 12 0, 0.0 3,-1.0 0, 0.0 7,-0.1 -0.262 22.5-132.5 -54.6 133.5 -6.5 9.8 4.2 42 45 A T T 3 S+ 0 0 143 1,-0.2 0, 0.0 0, 0.0 0, 0.0 0.847 100.8 62.8 -55.6 -40.7 -8.1 11.8 1.4 43 46 A F T 3 S+ 0 0 169 2,-0.0 -1,-0.2 3,-0.0 3,-0.1 0.814 87.4 86.4 -59.9 -30.8 -11.4 12.2 3.2 44 47 A D S < S- 0 0 55 -3,-1.0 4,-0.1 1,-0.2 71,-0.0 -0.129 102.6 -59.7 -63.2 171.1 -9.8 14.3 6.0 45 48 A S > - 0 0 82 1,-0.1 3,-1.1 2,-0.1 -1,-0.2 -0.148 49.5-115.8 -55.6 145.7 -9.5 18.0 5.5 46 49 A F T 3 S+ 0 0 190 1,-0.3 2,-0.3 -3,-0.1 -1,-0.1 0.834 110.8 50.8 -52.3 -46.9 -7.4 19.2 2.5 47 50 A E T 3 S+ 0 0 102 2,-0.0 66,-2.8 67,-0.0 2,-0.3 -0.120 80.5 143.4 -90.2 41.9 -4.6 21.0 4.6 48 51 A S E < +c 113 0A 23 -3,-1.1 2,-0.3 -2,-0.3 66,-0.2 -0.637 22.9 176.0 -84.2 130.3 -4.0 17.9 6.8 49 52 A M E -c 114 0A 60 64,-2.9 66,-4.2 -2,-0.3 2,-0.2 -0.922 22.4-123.7-132.3 158.1 -0.4 17.1 7.8 50 53 A N E - d 0 72A 2 21,-0.6 23,-3.2 -2,-0.3 2,-0.4 -0.584 15.5-143.0 -99.3 164.3 1.3 14.5 10.1 51 54 A V E -cd 117 73A 0 65,-2.3 67,-3.9 21,-0.2 2,-0.5 -0.974 5.2-160.8-127.9 139.7 3.5 15.0 13.1 52 55 A V E -cd 118 74A 0 21,-2.3 23,-1.9 -2,-0.4 2,-0.4 -0.991 8.6-158.4-121.2 125.4 6.5 12.9 14.2 53 56 A L E +cd 119 75A 0 65,-3.8 67,-2.2 -2,-0.5 2,-0.3 -0.849 19.4 171.8-100.8 138.8 7.7 13.2 17.8 54 57 A M E - d 0 76A 0 21,-1.9 23,-2.7 -2,-0.4 68,-0.2 -0.994 30.0-111.4-148.3 154.3 11.3 12.2 18.6 55 58 A G > - 0 0 12 66,-1.7 4,-0.9 -2,-0.3 23,-0.1 -0.159 35.1-107.8 -75.1 177.6 13.8 12.3 21.4 56 59 A R H > S+ 0 0 117 21,-0.5 4,-1.8 2,-0.2 5,-0.2 0.883 118.3 48.4 -75.1 -41.2 17.0 14.4 21.4 57 60 A K H > S+ 0 0 90 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.811 111.0 52.5 -69.6 -29.9 19.4 11.6 20.9 58 61 A T H 4 S+ 0 0 40 1,-0.2 -1,-0.2 63,-0.2 -2,-0.2 0.761 110.0 48.7 -75.8 -25.1 17.3 10.3 18.0 59 62 A W H >< S+ 0 0 21 -4,-0.9 3,-0.6 1,-0.2 -2,-0.2 0.816 109.5 49.8 -84.2 -32.0 17.3 13.8 16.4 60 63 A E H 3< S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.687 105.4 60.2 -78.0 -18.2 21.1 14.3 16.7 61 64 A S T 3< S+ 0 0 54 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.524 81.9 94.0 -86.5 -7.4 21.7 10.8 15.1 62 65 A I S < S- 0 0 31 -3,-0.6 -41,-0.0 -4,-0.2 -4,-0.0 -0.790 87.7-113.2 -89.7 117.0 19.9 11.6 11.9 63 66 A P >> - 0 0 81 0, 0.0 3,-4.0 0, 0.0 4,-1.0 -0.227 23.4-118.5 -51.8 130.1 22.4 12.9 9.3 64 67 A L T 34 S+ 0 0 135 1,-0.3 -2,-0.0 2,-0.2 -3,-0.0 0.652 114.1 64.1 -44.4 -22.7 21.9 16.5 8.4 65 68 A Q T 34 S+ 0 0 179 1,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.763 112.1 36.0 -75.5 -23.6 21.2 15.5 4.8 66 69 A F T <4 S+ 0 0 126 -3,-4.0 4,-0.3 3,-0.0 -2,-0.2 0.931 96.1 103.6 -90.7 -69.6 18.2 13.6 6.1 67 70 A R < + 0 0 54 -4,-1.0 2,-0.1 2,-0.1 -8,-0.0 -0.200 53.2 55.1 -60.2 149.9 16.6 15.6 9.0 68 71 A P S S- 0 0 54 0, 0.0 2,-0.4 0, 0.0 4,-0.1 0.549 90.1-121.8 -80.4 148.2 14.2 17.3 9.3 69 72 A L > - 0 0 14 -2,-0.1 3,-0.9 1,-0.1 -2,-0.1 -0.397 33.9-132.9 -60.2 113.0 11.7 14.8 8.1 70 73 A K T 3 S+ 0 0 156 -2,-0.4 3,-0.1 -4,-0.3 -1,-0.1 -0.188 81.8 25.4 -66.2 156.8 10.1 16.5 5.1 71 74 A G T 3 S+ 0 0 58 1,-0.2 -21,-0.6 -22,-0.0 2,-0.3 0.477 110.6 88.3 68.3 0.9 6.3 16.7 4.5 72 75 A R E < S-d 50 0A 22 -3,-0.9 2,-0.6 -23,-0.1 -21,-0.2 -0.933 83.9-113.2-131.3 152.4 5.9 16.2 8.3 73 76 A I E -d 51 0A 9 -23,-3.2 -21,-2.3 -2,-0.3 2,-0.5 -0.771 39.2-147.8 -85.2 117.2 5.7 18.5 11.3 74 77 A N E +d 52 0A 9 -2,-0.6 16,-1.0 -23,-0.2 2,-0.4 -0.784 20.9 175.6 -97.8 127.7 8.8 17.8 13.4 75 78 A V E -de 53 90A 2 -23,-1.9 -21,-1.9 -2,-0.5 2,-0.5 -0.993 13.8-157.2-131.2 129.1 9.0 18.1 17.2 76 79 A V E -de 54 91A 0 14,-2.2 16,-1.3 -2,-0.4 2,-0.5 -0.907 12.7-144.5-106.1 127.3 12.0 17.2 19.4 77 80 A I E + e 0 92A 16 -23,-2.7 -21,-0.5 -2,-0.5 2,-0.3 -0.794 30.2 161.5 -94.4 133.0 11.3 16.4 23.0 78 81 A T - 0 0 17 14,-2.0 2,-0.1 -2,-0.5 -2,-0.0 -0.979 45.6-145.5-154.5 136.9 14.0 17.6 25.5 79 82 A R S S+ 0 0 211 -2,-0.3 2,-0.3 2,-0.0 14,-0.1 -0.157 90.0 72.4 -89.2 37.5 14.3 18.2 29.2 80 83 A N S S- 0 0 88 2,-0.1 2,-1.7 -2,-0.1 -1,-0.0 -0.925 77.8-136.9-157.2 127.0 16.7 21.0 28.2 81 84 A E + 0 0 138 -2,-0.3 2,-0.2 2,-0.0 -2,-0.0 -0.567 54.1 143.8 -84.1 73.8 16.0 24.4 26.6 82 85 A S - 0 0 59 -2,-1.7 2,-0.3 1,-0.1 -2,-0.1 -0.672 57.4 -72.4-112.5 169.2 18.8 24.4 24.2 83 86 A L + 0 0 146 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 -0.412 41.0 169.3 -64.2 115.5 19.3 25.6 20.6 84 87 A D - 0 0 34 -2,-0.3 -1,-0.2 5,-0.1 6,-0.1 0.807 25.2-157.8 -93.1 -35.2 17.5 23.5 17.9 85 88 A L + 0 0 141 1,-0.1 2,-0.2 4,-0.1 -2,-0.1 0.988 32.9 152.2 57.5 67.9 18.1 26.1 15.1 86 89 A G - 0 0 40 3,-0.2 -1,-0.1 1,-0.0 -2,-0.1 -0.695 66.2-108.1-125.8 179.4 15.4 25.1 12.7 87 90 A N S S- 0 0 174 -2,-0.2 -1,-0.0 1,-0.1 -2,-0.0 0.169 114.9 -34.5 -84.0 13.4 13.0 26.3 10.0 88 91 A G S S+ 0 0 46 1,-0.1 2,-1.1 -15,-0.0 -1,-0.1 0.470 84.3 173.9 136.3 28.9 10.4 25.9 12.7 89 92 A I - 0 0 28 -14,-0.1 -3,-0.2 -16,-0.1 -14,-0.2 -0.517 20.2-152.6 -69.3 97.9 11.7 23.0 14.7 90 93 A H E -e 75 0A 36 -2,-1.1 -14,-2.2 -16,-1.0 2,-0.3 -0.264 13.3-172.1 -67.0 155.6 9.3 22.8 17.7 91 94 A S E -e 76 0A 53 -16,-0.2 2,-0.3 6,-0.0 -14,-0.2 -0.980 1.8-172.7-152.5 139.9 10.5 21.4 20.9 92 95 A A E -e 77 0A 8 -16,-1.3 -14,-2.0 -2,-0.3 3,-0.0 -0.954 35.7-118.7-138.1 157.3 8.6 20.6 24.1 93 96 A K S S- 0 0 100 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.1 0.678 92.1 -19.5 -66.7 -20.6 9.4 19.4 27.7 94 97 A S S > S- 0 0 34 1,-0.1 4,-2.8 -15,-0.0 5,-0.2 -0.961 79.2 -76.8-169.3-178.2 7.4 16.3 27.2 95 98 A L H > S+ 0 0 9 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.914 126.8 49.0 -59.8 -47.3 4.7 14.5 25.2 96 99 A D H > S+ 0 0 91 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.839 112.8 46.5 -65.0 -35.5 1.9 16.4 26.9 97 100 A H H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 3,-0.4 0.950 110.3 53.6 -72.6 -44.3 3.6 19.7 26.3 98 101 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.3 -2,-0.2 0.909 108.1 49.7 -53.2 -46.3 4.3 18.9 22.7 99 102 A L H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.842 110.4 51.4 -62.0 -33.3 0.6 18.1 22.1 100 103 A E H X S+ 0 0 93 -4,-1.2 4,-1.8 -3,-0.4 -1,-0.2 0.820 107.7 51.6 -72.2 -33.6 -0.3 21.4 23.7 101 104 A L H X S+ 0 0 44 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.880 111.8 49.1 -68.6 -41.5 2.1 23.3 21.4 102 105 A L H X S+ 0 0 0 -4,-2.1 4,-4.3 -5,-0.2 -2,-0.2 0.972 111.8 44.7 -63.1 -57.8 0.5 21.6 18.4 103 106 A Y H < S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.867 119.8 43.2 -57.2 -39.7 -3.1 22.3 19.3 104 107 A R H < S+ 0 0 137 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.950 121.6 38.3 -71.2 -50.5 -2.3 25.9 20.2 105 108 A T H < S+ 0 0 46 -4,-3.1 2,-0.6 -5,-0.2 -2,-0.2 0.893 122.5 44.3 -67.4 -41.7 0.0 26.5 17.2 106 109 A Y S < S+ 0 0 44 -4,-4.3 -1,-0.2 -5,-0.3 2,-0.2 -0.916 88.2 78.5-111.9 113.4 -2.2 24.5 14.8 107 110 A G S > S- 0 0 22 -2,-0.6 3,-0.6 5,-0.2 5,-0.1 -0.523 93.5 -16.7-167.1-121.3 -5.9 25.0 14.9 108 111 A S T 3 S+ 0 0 123 1,-0.2 -2,-0.0 -2,-0.2 5,-0.0 0.980 131.5 50.2 -74.6 -46.1 -8.5 27.5 13.7 109 112 A E T 3 S+ 0 0 136 2,-0.1 2,-0.4 -3,-0.0 -1,-0.2 0.277 100.6 95.0 -76.9 13.5 -6.1 30.3 13.0 110 113 A S < - 0 0 18 -3,-0.6 -4,-0.1 1,-0.1 -5,-0.0 -0.848 61.0-160.3-111.9 144.6 -4.1 27.8 11.0 111 114 A S S S+ 0 0 101 -2,-0.4 2,-0.4 1,-0.1 -1,-0.1 0.176 87.5 72.4 -98.1 10.5 -4.0 27.1 7.3 112 115 A V - 0 0 45 -5,-0.1 2,-0.4 -63,-0.0 -64,-0.2 -0.992 69.9-160.8-132.4 122.1 -2.4 23.8 8.5 113 116 A Q E - c 0 48A 68 -66,-2.8 -64,-2.9 -2,-0.4 2,-0.5 -0.879 20.5-122.3-109.3 135.7 -4.3 21.0 10.3 114 117 A I E + c 0 49A 21 -2,-0.4 -64,-0.2 -66,-0.2 3,-0.1 -0.600 34.2 171.5 -75.2 119.3 -2.8 18.2 12.4 115 118 A N E - 0 0 6 -66,-4.2 2,-0.3 -2,-0.5 -65,-0.2 0.836 56.9 -2.2 -92.5 -90.9 -3.7 14.8 11.1 116 119 A R E - 0 0 38 -79,-0.1 -65,-2.3 -114,-0.1 2,-0.5 -0.809 62.0-142.0-106.5 148.9 -1.9 11.8 12.8 117 120 A I E -ac 4 51A 0 -114,-0.7 -112,-2.5 -2,-0.3 2,-0.4 -0.953 16.9-165.7-114.1 121.6 0.7 12.1 15.4 118 121 A F E -ac 5 52A 0 -67,-3.9 -65,-3.8 -2,-0.5 2,-1.0 -0.890 17.3-150.8-111.5 133.4 3.6 9.6 15.3 119 122 A V E -ac 6 53A 0 -114,-3.3 -112,-1.7 -2,-0.4 -65,-0.2 -0.853 18.1-171.5 -98.5 98.2 6.2 8.8 18.1 120 123 A I - 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